#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gyr n PRO 38 N 0.00 1.65 0.00 0.00 -0.02 -1.26 -1.91 135.00 133.46 3gyr n PRO 38 Ca 0.00 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3gyr n PRO 38 Cb 0.00 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 30.94 3gyr n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gyr n GLY 39 N 5.12 0.90 3.87 -1.23 0.00 -1.26 -5.09 105.19 107.49 3gyr n GLY 39 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 3gyr n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gyr s GLU 40 N -0.91 3.27 0.35 1.61 2.02 -0.81 -4.79 118.70 119.44 3gyr s GLU 40 Ca 0.00 -0.50 -0.26 0.00 0.02 0.00 0.00 54.97 54.23 3gyr s GLU 40 Cb 0.00 -2.95 -0.09 0.00 0.10 0.00 0.00 34.13 31.19 3gyr s GLU 40 CO 0.00 0.61 1.07 -0.51 0.02 0.00 0.00 175.26 176.45 3gyr s LEU 41 N -2.39 4.30 -0.30 1.80 1.43 -1.26 -4.92 118.68 117.34 3gyr s LEU 41 Ca 0.32 2.14 -0.28 0.00 -1.03 0.00 0.00 54.13 55.28 3gyr s LEU 41 Cb -0.13 -3.96 0.01 0.00 0.03 0.00 0.00 46.19 42.14 3gyr s LEU 41 CO 0.25 -0.37 1.02 -0.89 0.23 0.00 0.00 176.35 176.59 3gyr s THR 42 N -1.45 4.59 0.66 5.49 2.01 -1.26 -5.03 115.64 120.65 3gyr s THR 42 Ca 0.53 1.69 -0.17 0.00 0.31 0.00 0.00 61.69 64.05 3gyr s THR 42 Cb -0.26 -4.35 0.00 0.00 0.01 0.00 0.00 72.50 67.90 3gyr s THR 42 CO 0.33 -0.39 1.19 -2.16 -0.69 0.00 0.00 174.62 172.90 3gyr s PRO 43 N 3.46 2.59 -1.20 4.92 0.04 -1.26 -3.83 135.00 139.72 3gyr s PRO 43 Ca 0.43 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 63.11 3gyr s PRO 43 Cb -0.13 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.53 3gyr s PRO 43 CO 0.13 -1.48 1.05 1.19 0.04 0.00 0.00 177.00 177.93 3gyr n PHE 44 N -2.21 -2.54 0.91 0.56 0.99 0.24 -4.92 117.46 110.49 3gyr n PHE 44 Ca 0.13 0.90 0.12 0.00 -0.00 0.00 0.00 57.45 58.59 3gyr n PHE 44 Cb 0.50 -4.59 0.15 0.00 -1.00 0.00 0.00 39.48 34.55 3gyr n PHE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3gyr n ALA 45 N -4.70 3.70 -3.08 4.37 0.00 -1.25 -4.66 120.51 114.90 3gyr n ALA 45 Ca -0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 3gyr n ALA 45 Cb 0.56 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 3gyr n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gyr s ALA 46 N -3.04 -0.25 0.62 0.00 0.00 -1.26 -4.92 121.76 112.91 3gyr s ALA 46 Ca 0.09 -0.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.74 3gyr s ALA 46 Cb 0.17 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 3gyr s ALA 46 CO 0.74 -0.19 1.05 -1.25 0.00 0.00 0.00 175.76 176.12 3gyr s PRO 47 N -1.26 3.23 0.37 0.00 0.04 -1.26 -1.74 135.00 134.38 3gyr s PRO 47 Ca -0.14 1.12 -0.28 0.00 0.04 0.00 0.00 61.00 61.75 3gyr s PRO 47 Cb -0.07 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 3gyr s PRO 47 CO 0.01 -0.88 1.36 -1.17 0.04 0.00 0.00 177.00 176.36 3gyr s LEU 48 N -4.79 4.33 0.25 -3.56 2.96 0.15 -4.72 118.68 113.30 3gyr s LEU 48 Ca 0.62 2.79 0.09 0.00 -0.22 0.00 0.00 54.13 57.41 3gyr s LEU 48 Cb -0.15 -3.74 -0.04 0.00 0.50 0.00 0.00 46.19 42.76 3gyr s LEU 48 CO 0.42 -0.74 -0.01 0.42 -1.32 0.00 0.00 176.35 175.12 3gyr s THR 49 N -1.17 3.46 0.02 3.68 -4.23 -1.26 -4.97 115.64 111.17 3gyr s THR 49 Ca 0.53 -1.85 0.06 0.00 -1.18 0.00 0.00 61.69 59.24 3gyr s THR 49 Cb -0.41 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.56 3gyr s THR 49 CO 0.55 -0.34 -0.14 0.68 -0.54 0.00 0.00 174.62 174.83 3gyr s VAL 50 N -2.24 3.09 0.67 2.29 -7.23 -1.26 -4.76 120.40 110.97 3gyr s VAL 50 Ca 0.31 -1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 59.30 3gyr s VAL 50 Cb -0.07 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 3gyr s VAL 50 CO 0.20 0.38 0.78 -2.65 -0.31 0.00 0.00 175.10 173.49 3gyr n PRO 51 N 1.62 0.54 -1.65 4.82 -0.02 -1.26 -4.95 135.00 134.10 3gyr n PRO 51 Ca -0.16 0.23 -0.34 0.00 -2.02 0.00 0.00 63.50 61.21 3gyr n PRO 51 Cb 0.52 -2.02 0.07 0.00 -0.02 0.00 0.00 33.50 32.04 3gyr n PRO 51 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gyr s PRO 52 N -2.86 2.53 -0.11 0.52 0.04 -1.26 -4.56 135.00 129.30 3gyr s PRO 52 Ca 0.71 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 63.20 3gyr s PRO 52 Cb -0.38 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 3gyr s PRO 52 CO 0.52 -1.50 0.36 0.08 0.04 0.00 0.00 177.00 176.50 3gyr s VAL 53 N -2.11 5.23 -0.15 -0.36 1.01 -1.26 -1.04 120.40 121.72 3gyr s VAL 53 Ca 0.71 0.70 0.01 0.00 0.00 0.00 0.00 61.98 63.40 3gyr s VAL 53 Cb -0.25 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3gyr s VAL 53 CO 0.42 0.43 -0.18 -0.22 0.00 0.00 0.00 175.10 175.54 3gyr s LEU 54 N 0.09 2.30 -0.43 3.92 2.96 0.19 -4.91 118.68 122.80 3gyr s LEU 54 Ca 0.20 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3gyr s LEU 54 Cb -0.14 -1.51 0.12 0.00 0.50 0.00 0.00 46.19 45.16 3gyr s LEU 54 CO 0.08 0.08 0.22 -0.13 -1.32 0.00 0.00 176.35 175.27 3gyr s ARG 55 N 0.83 1.99 0.00 1.98 0.52 -1.26 -0.84 118.95 122.18 3gyr s ARG 55 Ca -0.06 -1.98 0.27 0.00 -0.52 0.00 0.00 55.73 53.44 3gyr s ARG 55 Cb -0.15 -3.53 0.84 0.00 0.52 0.00 0.00 34.95 32.63 3gyr s ARG 55 CO -0.01 -1.07 1.62 -0.35 0.02 0.00 0.00 175.30 175.51 3gyr n PRO 56 N 4.29 0.84 -2.02 3.54 -0.04 -1.26 -4.92 135.00 135.44 3gyr n PRO 56 Ca 0.01 -0.47 -0.41 0.00 -0.04 0.00 0.00 63.50 62.59 3gyr n PRO 56 Cb 0.40 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 3gyr n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gyr s ALA 57 N -2.48 3.59 0.21 0.55 0.00 -1.26 -4.89 121.76 117.47 3gyr s ALA 57 Ca 0.25 1.34 -0.03 0.00 0.00 0.00 0.00 51.96 53.52 3gyr s ALA 57 Cb 0.19 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3gyr s ALA 57 CO 0.51 -0.75 0.18 -1.54 0.00 0.00 0.00 175.76 174.16 3gyr s SER 58 N 0.06 0.12 0.10 0.00 1.04 -1.26 -5.02 113.70 108.75 3gyr s SER 58 Ca 0.56 -1.32 0.24 0.00 0.48 0.00 0.00 55.95 55.90 3gyr s SER 58 Cb -0.42 0.41 0.95 0.00 0.10 0.00 0.00 66.02 67.06 3gyr s SER 58 CO 0.48 -0.89 1.75 0.47 0.98 0.00 0.00 173.24 176.04 3gyr n ASP 59 N -0.29 0.34 -4.16 7.02 8.00 -1.26 -4.49 116.55 121.72 3gyr n ASP 59 Ca 0.01 0.55 -0.39 0.00 0.71 0.00 0.00 54.79 55.68 3gyr n ASP 59 Cb 0.65 -0.64 -0.09 0.00 -0.02 0.00 0.00 41.12 41.03 3gyr n ASP 59 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3gyr s GLU 60 N -3.08 2.58 0.42 -1.24 2.12 -1.26 -4.96 118.70 113.28 3gyr s GLU 60 Ca 0.10 -2.22 0.10 0.00 0.36 0.00 0.00 54.97 53.31 3gyr s GLU 60 Cb 0.13 -3.84 0.91 0.00 0.26 0.00 0.00 34.13 31.59 3gyr s GLU 60 CO 0.47 -1.18 2.00 -0.24 -0.54 0.00 0.00 175.26 175.77 3gyr h VAL 61 N 5.60 1.12 0.00 3.70 3.04 -1.91 -0.71 116.25 127.09 3gyr h VAL 61 Ca -0.07 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 3gyr h VAL 61 Cb 1.01 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 3gyr h VAL 61 CO 0.75 0.15 0.00 0.35 -1.01 0.00 0.00 177.57 177.81 3gyr n THR 62 N -4.38 0.39 -2.92 3.17 -2.24 -1.26 -4.45 114.28 102.59 3gyr n THR 62 Ca -0.00 0.10 -0.44 0.00 -2.27 0.00 0.00 64.05 61.44 3gyr n THR 62 Cb 0.18 -0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 67.63 3gyr n THR 62 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3gyr s ARG 63 N -2.66 3.21 0.63 -0.78 3.52 -0.27 -5.05 118.95 117.54 3gyr s ARG 63 Ca 0.18 -1.14 -0.17 0.00 -0.13 0.00 0.00 55.73 54.47 3gyr s ARG 63 Cb 0.14 -4.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.13 3gyr s ARG 63 CO 0.34 -1.75 1.15 -1.21 -0.81 0.00 0.00 175.30 173.02 3gyr s GLU 64 N 3.48 2.84 -0.25 5.12 2.02 -1.26 -4.86 118.70 125.79 3gyr s GLU 64 Ca 0.22 1.60 -0.19 0.00 0.02 0.00 0.00 54.97 56.63 3gyr s GLU 64 Cb -0.16 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 3gyr s GLU 64 CO 0.05 -1.25 0.56 0.99 0.02 0.00 0.00 175.26 175.63 3gyr s THR 65 N -1.98 5.04 -0.07 3.63 2.01 -0.81 -4.92 115.64 118.54 3gyr s THR 65 Ca 0.72 0.98 -0.29 0.00 0.31 0.00 0.00 61.69 63.41 3gyr s THR 65 Cb -0.25 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 3gyr s THR 65 CO 0.37 0.07 0.98 -0.70 -0.69 0.00 0.00 174.62 174.65 3gyr s GLU 66 N 2.33 4.46 -0.28 4.92 2.12 -1.26 -0.96 118.70 130.03 3gyr s GLU 66 Ca 0.23 1.37 0.00 0.00 0.36 0.00 0.00 54.97 56.93 3gyr s GLU 66 Cb -0.16 -3.52 0.05 0.00 0.26 0.00 0.00 34.13 30.77 3gyr s GLU 66 CO 0.09 -0.22 -0.05 0.42 -0.54 0.00 0.00 175.26 174.96 3gyr s ILE 67 N 1.67 2.63 -0.26 -3.70 1.01 -0.73 -4.93 121.20 116.89 3gyr s ILE 67 Ca 0.49 -1.47 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 3gyr s ILE 67 Cb -0.19 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 3gyr s ILE 67 CO 0.21 -0.05 0.13 0.00 0.00 0.00 0.00 174.94 175.22 3gyr s ALA 68 N 1.19 3.35 -0.08 9.38 0.00 -1.26 -0.98 121.76 133.36 3gyr s ALA 68 Ca -0.06 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 3gyr s ALA 68 Cb -0.20 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 3gyr s ALA 68 CO -0.03 -0.48 1.33 -0.51 0.00 0.00 0.00 175.76 176.08 3gyr s LEU 69 N 1.61 4.26 0.07 0.00 1.02 -0.19 0.83 118.68 126.27 3gyr s LEU 69 Ca 0.07 1.90 0.03 0.00 0.02 0.00 0.00 54.13 56.14 3gyr s LEU 69 Cb -0.15 -3.55 -0.03 0.00 0.02 0.00 0.00 46.19 42.48 3gyr s LEU 69 CO 0.07 -0.73 -0.09 -0.13 0.02 0.00 0.00 176.35 175.49 3gyr s ARG 70 N 2.98 0.68 0.73 1.70 0.52 -0.50 -1.59 118.95 123.47 3gyr s ARG 70 Ca 0.60 -0.97 -0.15 0.00 -0.52 0.00 0.00 55.73 54.69 3gyr s ARG 70 Cb -0.26 -0.37 0.04 0.00 0.52 0.00 0.00 34.95 34.88 3gyr s ARG 70 CO 0.21 0.05 1.19 -2.14 0.02 0.00 0.00 175.30 174.64 3gyr s PRO 71 N -2.28 2.19 0.04 3.54 0.02 -1.26 -1.71 135.00 135.54 3gyr s PRO 71 Ca -0.02 1.69 -0.27 0.00 0.02 0.00 0.00 61.00 62.42 3gyr s PRO 71 Cb -0.06 -1.85 0.07 0.00 0.02 0.00 0.00 34.50 32.68 3gyr s PRO 71 CO -0.01 -1.78 0.62 -0.08 -0.33 0.00 0.00 177.00 175.43 3gyr s THR 72 N -2.07 0.01 -0.19 0.99 -1.32 -0.33 -4.83 115.64 107.90 3gyr s THR 72 Ca 0.73 -0.04 -0.05 0.00 -1.21 0.00 0.00 61.69 61.11 3gyr s THR 72 Cb -0.27 -0.99 -0.03 0.00 -1.51 0.00 0.00 72.50 69.69 3gyr s THR 72 CO 0.45 -0.02 0.01 0.26 -2.21 0.00 0.00 174.62 173.10 3gyr s TRP 73 N -2.24 3.08 -0.09 9.09 0.52 -1.26 -0.63 118.94 127.40 3gyr s TRP 73 Ca -0.06 -0.30 0.03 0.00 0.02 0.00 0.00 56.10 55.79 3gyr s TRP 73 Cb -0.00 -2.06 0.01 0.00 -1.15 0.00 0.00 33.47 30.27 3gyr s TRP 73 CO 0.00 -0.11 -0.19 0.08 0.02 0.00 0.00 176.95 176.75 3gyr s VAL 74 N 0.72 1.69 -0.75 4.03 1.01 0.54 -4.88 120.40 122.77 3gyr s VAL 74 Ca 0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 3gyr s VAL 74 Cb -0.14 -1.49 0.11 0.00 0.00 0.00 0.00 36.38 34.86 3gyr s VAL 74 CO 0.02 0.48 0.93 -0.60 0.00 0.00 0.00 175.10 175.93 3gyr s ARG 75 N 0.51 3.30 0.48 2.72 6.06 -1.26 -0.95 118.95 129.80 3gyr s ARG 75 Ca -0.16 -1.44 0.21 0.00 -2.50 0.00 0.00 55.73 51.84 3gyr s ARG 75 Cb -0.17 -4.50 1.20 0.00 0.06 0.00 0.00 34.95 31.55 3gyr s ARG 75 CO 0.06 -1.68 2.01 -0.07 -2.50 0.00 0.00 175.30 173.12 3gyr h LEU 76 N 10.32 0.00 -7.00 -0.88 3.38 -1.84 -3.46 115.31 115.83 3gyr h LEU 76 Ca -0.10 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.95 3gyr h LEU 76 Cb 1.06 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.54 3gyr h LEU 76 CO 1.10 0.18 0.43 -2.28 0.09 0.00 0.00 178.44 177.96 3gyr s HIS 77 N -4.30 -0.51 0.52 1.13 5.04 -1.26 -0.68 115.29 115.23 3gyr s HIS 77 Ca -0.03 1.14 0.30 0.00 -1.54 0.00 0.00 55.06 54.93 3gyr s HIS 77 Cb 0.14 0.37 1.44 0.00 0.04 0.00 0.00 32.58 34.56 3gyr s HIS 77 CO 0.64 -0.25 1.88 -1.35 -2.34 0.00 0.00 174.74 173.31 3gyr h PRO 78 N 4.96 0.05 -0.05 2.88 0.11 -1.91 0.26 132.00 138.31 3gyr h PRO 78 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3gyr h PRO 78 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gyr h PRO 78 CO 0.15 0.04 0.00 1.04 -0.21 0.00 0.00 178.00 179.01 3gyr n GLN 79 N -4.30 1.43 -4.28 1.05 6.02 -1.26 -4.85 117.38 111.19 3gyr n GLN 79 Ca 0.19 -0.63 -0.23 0.00 -0.01 0.00 0.00 57.00 56.32 3gyr n GLN 79 Cb 0.96 -1.42 -0.07 0.00 1.02 0.00 0.00 30.24 30.72 3gyr n GLN 79 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gyr s LEU 80 N -1.79 3.23 0.96 1.08 1.43 0.93 -5.07 118.68 119.45 3gyr s LEU 80 Ca 0.36 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 3gyr s LEU 80 Cb 0.19 -1.75 0.17 0.00 0.03 0.00 0.00 46.19 44.82 3gyr s LEU 80 CO 0.30 -0.01 1.14 -2.16 0.23 0.00 0.00 176.35 175.85 3gyr s PRO 81 N -3.69 0.70 0.73 1.29 0.04 -1.26 -4.77 135.00 128.03 3gyr s PRO 81 Ca 0.32 0.23 -0.12 0.00 0.04 0.00 0.00 61.00 61.46 3gyr s PRO 81 Cb -0.06 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.72 3gyr s PRO 81 CO 0.20 -2.49 1.10 -2.14 0.04 0.00 0.00 177.00 173.71 3gyr s PRO 82 N -5.29 2.49 -0.09 0.56 0.02 -1.26 -4.70 135.00 126.73 3gyr s PRO 82 Ca 0.66 1.24 0.04 0.00 0.02 0.00 0.00 61.00 62.95 3gyr s PRO 82 Cb -0.14 -1.92 -0.00 0.00 0.02 0.00 0.00 34.50 32.45 3gyr s PRO 82 CO 0.54 -1.47 -0.23 0.99 -0.33 0.00 0.00 177.00 176.50 3gyr s THR 83 N -2.71 2.17 0.05 0.99 2.01 -0.13 -4.85 115.64 113.17 3gyr s THR 83 Ca 0.63 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 3gyr s THR 83 Cb -0.18 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 3gyr s THR 83 CO 0.51 0.56 1.15 -0.22 -0.69 0.00 0.00 174.62 175.92 3gyr s LEU 84 N 0.22 4.37 0.24 4.42 2.96 -1.26 -0.34 118.68 129.29 3gyr s LEU 84 Ca -0.15 1.94 0.01 0.00 -0.22 0.00 0.00 54.13 55.71 3gyr s LEU 84 Cb -0.17 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 3gyr s LEU 84 CO 0.07 -0.42 0.16 -0.04 -1.32 0.00 0.00 176.35 174.81 3gyr s MET 85 N 1.02 1.35 -0.11 1.98 -1.94 0.20 -4.79 119.30 117.01 3gyr s MET 85 Ca 0.57 -1.73 0.03 0.00 -1.71 0.00 0.00 55.69 52.84 3gyr s MET 85 Cb -0.28 0.25 -0.00 0.00 2.01 0.00 0.00 34.83 36.81 3gyr s MET 85 CO 0.29 -0.45 -0.20 -1.58 -0.01 0.00 0.00 175.02 173.07 3gyr s TRP 86 N -3.96 2.65 -0.02 -0.03 0.51 0.60 -1.19 118.94 117.49 3gyr s TRP 86 Ca 0.39 -0.95 0.02 0.00 -2.12 0.00 0.00 56.10 53.44 3gyr s TRP 86 Cb 0.06 -1.76 0.01 0.00 -0.81 0.00 0.00 33.47 30.96 3gyr s TRP 86 CO 0.16 -0.37 -0.06 0.20 -0.51 0.00 0.00 176.95 176.36 3gyr s GLY 87 N 0.39 0.39 0.02 0.98 0.00 -0.69 -3.21 107.32 105.20 3gyr s GLY 87 Ca -0.15 -0.19 -0.33 0.00 0.00 0.00 0.00 44.72 44.04 3gyr s GLY 87 CO 0.07 0.04 1.81 -1.72 0.00 0.00 0.00 173.10 173.30 3gyr n TYR 88 N 3.39 2.39 -2.79 1.90 4.01 -1.20 -1.23 117.16 123.63 3gyr n TYR 88 Ca -0.19 -0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.41 3gyr n TYR 88 Cb 0.55 -2.66 -0.01 0.00 -0.31 0.00 0.00 39.34 36.91 3gyr n TYR 88 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3gyr n ASP 89 N 5.75 -3.19 -2.20 7.72 8.00 0.24 -1.47 116.55 131.40 3gyr n ASP 89 Ca 0.20 0.04 -0.18 0.00 0.71 0.00 0.00 54.79 55.56 3gyr n ASP 89 Cb 0.32 -2.72 0.01 0.00 -0.02 0.00 0.00 41.12 38.70 3gyr n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gyr n GLY 90 N -0.86 -0.33 3.18 0.44 0.00 -0.37 -4.97 105.19 102.29 3gyr n GLY 90 Ca -0.07 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 3gyr n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gyr s GLN 91 N -5.13 1.24 -0.10 1.61 -1.52 -0.54 -4.87 119.66 110.36 3gyr s GLN 91 Ca 0.11 -0.75 -0.00 0.00 -1.95 0.00 0.00 55.36 52.76 3gyr s GLN 91 Cb -0.05 -1.27 0.02 0.00 -0.22 0.00 0.00 33.01 31.50 3gyr s GLN 91 CO 0.13 0.33 -0.06 0.08 -0.25 0.00 0.00 175.29 175.52 3gyr s VAL 92 N -0.65 0.89 0.84 1.09 1.01 -1.26 -2.85 120.40 119.46 3gyr s VAL 92 Ca 0.05 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 3gyr s VAL 92 Cb -0.08 -0.92 0.10 0.00 0.00 0.00 0.00 36.38 35.48 3gyr s VAL 92 CO 0.01 0.34 1.13 -2.84 0.00 0.00 0.00 175.10 173.73 3gyr s PRO 93 N 1.62 1.65 1.17 2.72 0.02 -1.26 -4.32 135.00 136.59 3gyr s PRO 93 Ca 0.02 1.40 -0.17 0.00 0.02 0.00 0.00 61.00 62.26 3gyr s PRO 93 Cb -0.13 -1.81 0.19 0.00 0.02 0.00 0.00 34.50 32.77 3gyr s PRO 93 CO -0.06 -2.13 0.36 0.41 -0.33 0.00 0.00 177.00 175.25 3gyr n GLY 94 N -0.41 -2.58 3.71 0.52 0.00 0.83 -4.75 105.19 102.51 3gyr n GLY 94 Ca 0.11 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 3gyr n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gyr n PRO 95 N -3.11 1.00 -2.70 1.61 -0.02 -1.26 -4.59 135.00 125.92 3gyr n PRO 95 Ca 0.03 0.40 -0.43 0.00 -2.02 0.00 0.00 63.50 61.48 3gyr n PRO 95 Cb 0.56 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 3gyr n PRO 95 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3gyr s THR 96 N -1.46 4.45 0.14 3.45 2.01 -0.20 -4.18 115.64 119.85 3gyr s THR 96 Ca 0.81 1.33 -0.18 0.00 0.31 0.00 0.00 61.69 63.96 3gyr s THR 96 Cb -0.38 -4.44 -0.07 0.00 0.01 0.00 0.00 72.50 67.62 3gyr s THR 96 CO 0.42 -0.67 0.61 -0.63 -0.69 0.00 0.00 174.62 173.66 3gyr s ILE 97 N 3.81 4.71 -0.03 1.82 1.01 -0.83 0.57 121.20 132.26 3gyr s ILE 97 Ca 0.43 1.13 0.00 0.00 0.00 0.00 0.00 60.65 62.21 3gyr s ILE 97 Cb -0.11 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.54 3gyr s ILE 97 CO 0.22 0.37 0.01 -0.70 0.00 0.00 0.00 174.94 174.84 3gyr s GLU 98 N -1.60 0.20 0.09 2.79 2.12 -0.02 0.19 118.70 122.48 3gyr s GLU 98 Ca 0.36 0.13 -0.06 0.00 0.36 0.00 0.00 54.97 55.75 3gyr s GLU 98 Cb -0.18 -0.44 -0.02 0.00 0.26 0.00 0.00 34.13 33.76 3gyr s GLU 98 CO 0.20 -0.16 0.14 0.14 -0.54 0.00 0.00 175.26 175.03 3gyr s VAL 99 N 1.15 0.15 0.00 3.70 -7.23 -0.55 -4.30 120.40 113.32 3gyr s VAL 99 Ca -0.08 -1.43 -0.04 0.00 -1.81 0.00 0.00 61.98 58.61 3gyr s VAL 99 Cb -0.13 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 3gyr s VAL 99 CO -0.02 -0.67 0.23 -0.13 -0.31 0.00 0.00 175.10 174.20 3gyr s ARG 100 N -3.91 3.51 0.01 4.82 0.52 -1.26 -0.14 118.95 122.49 3gyr s ARG 100 Ca 0.09 -0.21 -0.40 0.00 -0.52 0.00 0.00 55.73 54.70 3gyr s ARG 100 Cb 0.06 -3.08 -0.20 0.00 0.52 0.00 0.00 34.95 32.25 3gyr s ARG 100 CO -0.08 0.66 1.07 -2.13 0.02 0.00 0.00 175.30 174.84 3gyr n ARG 101 N 0.99 0.05 0.00 3.54 0.63 0.16 -1.21 116.66 120.82 3gyr n ARG 101 Ca -0.11 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 3gyr n ARG 101 Cb 0.53 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.92 3gyr n ARG 101 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gyr n GLY 102 N 1.55 2.40 3.62 5.14 0.00 0.17 -4.96 105.19 113.10 3gyr n GLY 102 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3gyr n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gyr s GLN 103 N -0.48 3.82 -0.05 1.61 -0.21 -0.35 -4.91 119.66 119.08 3gyr s GLN 103 Ca 0.00 0.94 -0.30 0.00 0.02 0.00 0.00 55.36 56.02 3gyr s GLN 103 Cb 0.00 -3.89 -0.02 0.00 1.00 0.00 0.00 33.01 30.10 3gyr s GLN 103 CO 0.00 -1.25 1.04 0.50 -2.12 0.00 0.00 175.29 173.46 3gyr s ARG 104 N 4.31 4.46 -0.01 2.91 3.52 -1.26 -4.46 118.95 128.43 3gyr s ARG 104 Ca 0.52 1.47 0.03 0.00 -0.13 0.00 0.00 55.73 57.63 3gyr s ARG 104 Cb -0.12 -3.50 -0.01 0.00 -1.56 0.00 0.00 34.95 29.76 3gyr s ARG 104 CO 0.26 -0.24 -0.11 0.08 -0.81 0.00 0.00 175.30 174.49 3gyr s VAL 105 N 1.62 0.84 -0.09 7.11 1.01 -0.65 -4.77 120.40 125.48 3gyr s VAL 105 Ca 0.51 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.08 3gyr s VAL 105 Cb -0.21 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.47 3gyr s VAL 105 CO 0.23 0.24 -0.19 -0.13 0.00 0.00 0.00 175.10 175.24 3gyr s ARG 106 N -0.23 2.53 -0.04 2.72 0.52 -1.26 -0.63 118.95 122.56 3gyr s ARG 106 Ca 0.04 -0.70 0.05 0.00 -0.52 0.00 0.00 55.73 54.60 3gyr s ARG 106 Cb -0.04 -1.96 -0.01 0.00 0.52 0.00 0.00 34.95 33.46 3gyr s ARG 106 CO -0.00 0.11 -0.19 0.42 0.02 0.00 0.00 175.30 175.65 3gyr s ILE 107 N 0.51 1.61 -0.54 1.52 1.01 -0.30 -1.92 121.20 123.08 3gyr s ILE 107 Ca -0.16 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.54 3gyr s ILE 107 Cb -0.17 -1.37 0.13 0.00 0.01 0.00 0.00 42.46 41.07 3gyr s ILE 107 CO 0.06 0.46 0.45 0.00 0.00 0.00 0.00 174.94 175.91 3gyr s ALA 108 N -0.06 3.57 -0.57 9.38 0.00 -0.14 -1.34 121.76 132.60 3gyr s ALA 108 Ca -0.03 -2.63 -0.27 0.00 0.00 0.00 0.00 51.96 49.03 3gyr s ALA 108 Cb -0.12 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.93 3gyr s ALA 108 CO 0.02 -1.99 1.59 -1.58 0.00 0.00 0.00 175.76 173.80 3gyr s TRP 109 N 1.32 2.02 -0.22 0.00 0.52 0.26 -1.77 118.94 121.08 3gyr s TRP 109 Ca 0.06 0.54 -0.04 0.00 0.02 0.00 0.00 56.10 56.68 3gyr s TRP 109 Cb -0.26 -4.29 -0.01 0.00 -1.15 0.00 0.00 33.47 27.76 3gyr s TRP 109 CO 0.00 -2.21 -0.05 0.99 0.02 0.00 0.00 176.95 175.70 3gyr s THR 110 N 7.12 3.30 -0.58 2.01 2.01 -0.15 -0.53 115.64 128.82 3gyr s THR 110 Ca 0.59 -0.52 -0.28 0.00 0.31 0.00 0.00 61.69 61.78 3gyr s THR 110 Cb -0.12 -2.49 0.03 0.00 0.01 0.00 0.00 72.50 69.92 3gyr s THR 110 CO 0.23 0.43 1.26 0.21 -0.69 0.00 0.00 174.62 176.07 3gyr s ASN 111 N 1.44 6.35 -0.29 3.53 3.84 -0.60 -1.02 114.94 128.19 3gyr s ASN 111 Ca 0.05 0.15 0.08 0.00 0.21 0.00 0.00 52.86 53.36 3gyr s ASN 111 Cb -0.14 -2.55 0.47 0.00 -0.55 0.00 0.00 41.25 38.48 3gyr s ASN 111 CO -0.04 -1.56 1.38 0.54 -2.79 0.00 0.00 177.10 174.64 3gyr n ARG 112 N 8.53 2.13 -3.10 0.43 5.12 -0.62 0.87 116.66 130.02 3gyr n ARG 112 Ca 0.10 -3.41 -0.43 0.00 -1.93 0.00 0.00 57.85 52.17 3gyr n ARG 112 Cb 0.49 -1.87 -0.07 0.00 -1.16 0.00 0.00 32.46 29.85 3gyr n ARG 112 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3gyr s ILE 113 N -3.58 4.81 0.56 0.55 1.01 -1.16 -4.64 121.20 118.75 3gyr s ILE 113 Ca 0.45 0.05 -0.21 0.00 0.00 0.00 0.00 60.65 60.94 3gyr s ILE 113 Cb 0.40 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3gyr s ILE 113 CO -0.02 -0.65 1.36 -2.84 0.00 0.00 0.00 174.94 172.79 3gyr s PRO 114 N 2.86 3.05 0.52 2.79 0.02 -1.26 -4.50 135.00 138.47 3gyr s PRO 114 Ca 0.22 2.24 -0.21 0.00 0.02 0.00 0.00 61.00 63.28 3gyr s PRO 114 Cb -0.15 -2.21 -0.08 0.00 0.02 0.00 0.00 34.50 32.08 3gyr s PRO 114 CO 0.18 -1.26 0.86 1.63 -0.33 0.00 0.00 177.00 178.08 3gyr n LYS 115 N -1.14 0.97 -0.78 5.54 5.02 -1.26 -1.86 118.16 124.64 3gyr n LYS 115 Ca 0.11 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 3gyr n LYS 115 Cb 0.45 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 3gyr n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gyr n GLY 116 N 1.38 0.60 3.52 0.72 0.00 -1.26 -5.01 105.19 105.14 3gyr n GLY 116 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3gyr n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gyr n SER 117 N 0.00 -0.05 -4.74 1.61 7.64 -0.78 -4.95 113.62 112.36 3gyr n SER 117 Ca 0.00 0.95 -0.41 0.00 1.01 0.00 0.00 58.87 60.42 3gyr n SER 117 Cb 0.00 -1.21 -0.04 0.00 -1.01 0.00 0.00 64.21 61.95 3gyr n SER 117 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3gyr s GLU 118 N -1.79 4.54 -0.02 1.43 2.12 -1.26 -4.95 118.70 118.78 3gyr s GLU 118 Ca 0.64 1.84 -0.30 0.00 0.36 0.00 0.00 54.97 57.51 3gyr s GLU 118 Cb -0.58 -3.23 -0.06 0.00 0.26 0.00 0.00 34.13 30.52 3gyr s GLU 118 CO 0.57 0.01 1.58 -0.47 -0.54 0.00 0.00 175.26 176.41 3gyr s TYR 119 N -0.37 2.31 0.24 5.30 5.04 -1.26 -4.91 117.35 123.71 3gyr s TYR 119 Ca 0.50 0.39 0.36 0.00 -2.44 0.00 0.00 57.07 55.89 3gyr s TYR 119 Cb -0.32 -3.85 1.62 0.00 0.35 0.00 0.00 41.96 39.75 3gyr s TYR 119 CO 0.38 -3.46 2.08 -1.35 -1.34 0.00 0.00 175.55 171.86 3gyr h PRO 120 N 8.82 0.00 -4.91 4.97 0.11 -1.94 -3.42 132.00 135.63 3gyr h PRO 120 Ca -0.39 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.05 3gyr h PRO 120 Cb 1.18 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.98 3gyr h PRO 120 CO 0.94 0.01 -0.73 0.08 -0.21 0.00 0.00 178.00 178.08 3gyr s VAL 121 N -3.79 3.01 0.12 3.15 1.01 -1.26 -4.12 120.40 118.51 3gyr s VAL 121 Ca -0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 3gyr s VAL 121 Cb 0.10 -2.51 -0.06 0.00 0.00 0.00 0.00 36.38 33.91 3gyr s VAL 121 CO 0.51 0.21 0.95 -0.89 0.00 0.00 0.00 175.10 175.89 3gyr s THR 122 N 1.36 4.48 -0.07 3.92 2.01 -0.54 -4.77 115.64 122.03 3gyr s THR 122 Ca 0.01 2.06 0.04 0.00 0.31 0.00 0.00 61.69 64.11 3gyr s THR 122 Cb -0.16 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 68.01 3gyr s THR 122 CO -0.04 0.33 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.48 3gyr s SER 123 N -0.08 3.55 0.03 3.53 0.15 -1.26 0.39 113.70 120.01 3gyr s SER 123 Ca 0.46 -0.39 -0.01 0.00 0.70 0.00 0.00 55.95 56.71 3gyr s SER 123 Cb -0.23 -1.05 -0.02 0.00 -1.71 0.00 0.00 66.02 63.00 3gyr s SER 123 CO 0.30 0.25 -0.00 0.68 1.20 0.00 0.00 173.24 175.66 3gyr s VAL 124 N -0.17 0.13 -0.10 4.45 -7.23 -0.09 -0.58 120.40 116.81 3gyr s VAL 124 Ca -0.02 -1.08 0.04 0.00 -1.81 0.00 0.00 61.98 59.10 3gyr s VAL 124 Cb -0.14 -0.58 -0.00 0.00 0.56 0.00 0.00 36.38 36.22 3gyr s VAL 124 CO 0.04 -0.60 -0.22 -1.61 -0.31 0.00 0.00 175.10 172.40 3gyr s GLU 125 N -2.04 3.02 0.07 4.82 2.02 -1.26 -1.78 118.70 123.55 3gyr s GLU 125 Ca -0.10 -0.85 0.07 0.00 0.02 0.00 0.00 54.97 54.11 3gyr s GLU 125 Cb -0.05 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.81 3gyr s GLU 125 CO -0.03 0.22 -0.20 0.14 0.02 0.00 0.00 175.26 175.41 3gyr s VAL 126 N 0.25 1.64 0.93 2.63 -7.23 -0.71 -4.91 120.40 113.00 3gyr s VAL 126 Ca -0.15 -1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 58.56 3gyr s VAL 126 Cb -0.17 -1.46 0.15 0.00 0.56 0.00 0.00 36.38 35.46 3gyr s VAL 126 CO 0.08 0.06 1.10 -2.84 -0.31 0.00 0.00 175.10 173.18 3gyr s PRO 127 N -1.53 0.93 0.22 4.82 0.02 -1.26 -0.17 135.00 138.03 3gyr s PRO 127 Ca 0.06 1.13 -0.15 0.00 0.02 0.00 0.00 61.00 62.06 3gyr s PRO 127 Cb -0.09 -1.75 0.24 0.00 0.02 0.00 0.00 34.50 32.92 3gyr s PRO 127 CO 0.03 -2.55 1.60 -0.07 -0.33 0.00 0.00 177.00 175.67 3gyr h LEU 128 N -1.79 -0.88 -0.37 -5.54 3.38 -1.94 -3.43 115.31 104.73 3gyr h LEU 128 Ca -0.49 0.23 0.29 0.00 0.09 0.00 0.00 57.88 58.00 3gyr h LEU 128 Cb 1.28 0.51 -0.12 0.00 0.09 0.00 0.00 40.66 42.42 3gyr h LEU 128 CO 0.49 -0.27 -0.77 0.61 0.09 0.00 0.00 178.44 178.59 3gyr n GLY 129 N -1.47 -2.66 3.75 0.83 0.00 -1.26 -4.51 105.19 99.87 3gyr n GLY 129 Ca 0.08 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 3gyr n GLY 129 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gyr s PRO 130 N -3.21 4.27 0.40 1.61 0.02 -1.26 -4.95 135.00 131.88 3gyr s PRO 130 Ca 0.00 2.32 -0.27 0.00 0.02 0.00 0.00 61.00 63.06 3gyr s PRO 130 Cb 0.00 -3.09 -0.10 0.00 0.02 0.00 0.00 34.50 31.33 3gyr s PRO 130 CO 0.00 -0.39 1.48 -0.35 -0.33 0.00 0.00 177.00 177.41 3gyr n PRO 131 N 1.84 2.58 -1.03 5.54 -0.04 -1.26 -2.10 135.00 140.52 3gyr n PRO 131 Ca 0.05 0.91 -0.01 0.00 -0.04 0.00 0.00 63.50 64.41 3gyr n PRO 131 Cb 0.40 -2.67 -0.00 0.00 -0.04 0.00 0.00 33.50 31.19 3gyr n PRO 131 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gyr n GLY 132 N 0.47 0.33 3.73 0.55 0.00 -1.26 -5.03 105.19 103.99 3gyr n GLY 132 Ca 0.02 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 3gyr n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gyr s THR 133 N -1.57 4.04 0.35 2.61 -4.23 -0.89 -5.07 115.64 110.87 3gyr s THR 133 Ca 0.00 -1.38 -0.28 0.00 -1.18 0.00 0.00 61.69 58.85 3gyr s THR 133 Cb 0.00 -3.08 -0.12 0.00 1.34 0.00 0.00 72.50 70.64 3gyr s THR 133 CO 0.00 -0.18 1.26 -2.65 -0.54 0.00 0.00 174.62 172.51 3gyr n PRO 134 N -0.46 2.05 -1.34 3.99 -0.02 -1.26 -4.90 135.00 133.06 3gyr n PRO 134 Ca -0.09 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.79 3gyr n PRO 134 Cb 0.56 -2.30 0.09 0.00 -0.02 0.00 0.00 33.50 31.83 3gyr n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gyr s ALA 135 N -1.11 2.13 -0.70 3.55 0.00 -1.26 -4.86 121.76 119.51 3gyr s ALA 135 Ca 0.56 0.56 0.13 0.00 0.00 0.00 0.00 51.96 53.21 3gyr s ALA 135 Cb -0.57 -3.37 0.60 0.00 0.00 0.00 0.00 23.12 19.78 3gyr s ALA 135 CO 0.62 -1.84 1.39 -2.30 0.00 0.00 0.00 175.76 173.62 3gyr n PRO 136 N -3.14 0.07 0.00 0.00 -0.02 -1.26 -1.49 135.00 129.16 3gyr n PRO 136 Ca 0.11 0.47 0.15 0.00 -2.02 0.00 0.00 63.50 62.21 3gyr n PRO 136 Cb 0.52 -1.68 0.66 0.00 -0.02 0.00 0.00 33.50 32.97 3gyr n PRO 136 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3gyr n ASN 137 N -1.82 0.68 -0.32 2.55 0.23 -1.26 -2.41 115.26 112.91 3gyr n ASN 137 Ca 0.01 -0.96 0.02 0.00 -0.53 0.00 0.00 54.58 53.11 3gyr n ASN 137 Cb 0.08 -0.02 0.06 0.00 -2.08 0.00 0.00 39.78 37.82 3gyr n ASN 137 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3gyr n THR 138 N -0.63 0.22 -3.99 5.53 -2.24 -0.56 -4.02 114.28 108.59 3gyr n THR 138 Ca 0.18 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 3gyr n THR 138 Cb 0.26 0.01 -0.12 0.00 -2.10 0.00 0.00 70.33 68.37 3gyr n THR 138 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3gyr s GLU 139 N -1.75 0.28 0.89 -0.78 2.02 -1.01 -4.79 118.70 113.56 3gyr s GLU 139 Ca 0.09 -0.39 -0.13 0.00 0.02 0.00 0.00 54.97 54.56 3gyr s GLU 139 Cb 0.05 -0.09 0.13 0.00 0.10 0.00 0.00 34.13 34.32 3gyr s GLU 139 CO 0.06 0.01 1.17 -1.25 0.02 0.00 0.00 175.26 175.27 3gyr s PRO 140 N -0.85 1.32 0.00 0.39 0.04 -1.26 -4.90 135.00 129.73 3gyr s PRO 140 Ca -0.07 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.09 3gyr s PRO 140 Cb -0.06 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3gyr s PRO 140 CO -0.00 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.40 3gyr n GLY 141 N -2.78 -0.47 0.63 0.56 0.00 -0.00 -4.74 105.19 98.39 3gyr n GLY 141 Ca 0.08 -1.66 0.13 0.00 0.00 0.00 0.00 46.02 44.57 3gyr n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gyr n ARG 142 N -0.28 1.83 0.00 1.61 1.74 -1.26 -4.92 116.66 115.39 3gyr n ARG 142 Ca 0.00 -1.27 0.00 0.00 -0.77 0.00 0.00 57.85 55.81 3gyr n ARG 142 Cb 0.00 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 3gyr n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gyr n GLY 143 N 1.25 1.46 1.10 -0.13 0.00 -1.26 -1.86 105.19 105.75 3gyr n GLY 143 Ca 0.17 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.79 3gyr n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyr n GLY 144 N 0.00 1.70 3.75 -0.02 0.00 -1.26 -5.03 105.19 104.33 3gyr n GLY 144 Ca 0.00 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 3gyr n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gyr s VAL 145 N -1.43 3.87 0.31 1.61 1.01 -0.78 -5.01 120.40 119.98 3gyr s VAL 145 Ca 0.37 1.72 -0.29 0.00 0.00 0.00 0.00 61.98 63.78 3gyr s VAL 145 Cb 0.22 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 3gyr s VAL 145 CO 0.30 0.35 1.34 -1.61 0.00 0.00 0.00 175.10 175.47 3gyr s GLU 146 N -0.79 4.34 0.46 2.72 0.41 -1.26 -4.86 118.70 119.73 3gyr s GLU 146 Ca 0.46 2.23 -0.23 0.00 -0.41 0.00 0.00 54.97 57.02 3gyr s GLU 146 Cb -0.29 -3.08 -0.09 0.00 -1.78 0.00 0.00 34.13 28.88 3gyr s GLU 146 CO 0.35 -0.24 1.01 -2.30 -0.49 0.00 0.00 175.26 173.59 3gyr n PRO 147 N 1.21 1.29 -2.09 0.39 -0.02 -1.26 -4.83 135.00 129.69 3gyr n PRO 147 Ca 0.02 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 3gyr n PRO 147 Cb 0.41 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 3gyr n PRO 147 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3gyr s ASN 148 N -0.83 6.73 0.27 2.55 3.84 0.25 -4.90 114.94 122.85 3gyr s ASN 148 Ca 0.66 2.17 0.12 0.00 0.21 0.00 0.00 52.86 56.01 3gyr s ASN 148 Cb -0.52 -2.54 0.33 0.00 -0.55 0.00 0.00 41.25 37.98 3gyr s ASN 148 CO 0.55 -0.87 1.59 0.11 -2.79 0.00 0.00 177.10 175.68 3gyr h LYS 149 N 8.99 0.00 -0.51 0.43 1.79 -1.91 -2.60 116.57 122.76 3gyr h LYS 149 Ca -0.38 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.03 3gyr h LYS 149 Cb 1.17 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.80 3gyr h LYS 149 CO 0.95 0.61 0.08 -0.44 -1.08 0.00 0.00 179.45 179.57 3gyr h ASP 150 N 0.00 0.81 -0.50 0.86 3.45 -1.98 -2.18 116.42 116.87 3gyr h ASP 150 Ca -0.01 -0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.20 3gyr h ASP 150 Cb 1.16 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.69 3gyr h ASP 150 CO 0.08 0.86 0.32 0.58 -1.57 0.00 0.00 179.24 179.51 3gyr h VAL 151 N 0.72 1.14 0.00 -1.35 2.07 -1.92 -3.03 116.25 113.87 3gyr h VAL 151 Ca 0.15 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3gyr h VAL 151 Cb 0.40 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3gyr h VAL 151 CO 0.01 0.13 -0.12 0.00 0.02 0.00 0.00 177.57 177.62 3gyr h ALA 152 N 1.17 1.24 -0.00 1.67 0.00 -1.37 -1.74 119.26 120.23 3gyr h ALA 152 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gyr h ALA 152 Cb -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gyr h ALA 152 CO -0.04 0.15 -0.12 0.00 0.00 0.00 0.00 179.25 179.24 3gyr n ALA 153 N -2.26 2.76 -1.78 0.00 0.00 -0.83 -4.40 120.51 114.00 3gyr n ALA 153 Ca -0.02 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 3gyr n ALA 153 Cb 0.25 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 3gyr n ALA 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gyr s LEU 154 N -2.54 4.39 0.81 0.00 1.43 -0.66 -5.02 118.68 117.10 3gyr s LEU 154 Ca 0.27 2.70 -0.12 0.00 -1.03 0.00 0.00 54.13 55.95 3gyr s LEU 154 Cb 0.20 -3.57 0.08 0.00 0.03 0.00 0.00 46.19 42.93 3gyr s LEU 154 CO 0.49 -0.96 1.12 -2.16 0.23 0.00 0.00 176.35 175.07 3gyr s PRO 155 N 2.43 1.94 -0.17 1.29 0.04 -1.26 -4.64 135.00 134.64 3gyr s PRO 155 Ca 0.78 0.40 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 3gyr s PRO 155 Cb -0.45 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 3gyr s PRO 155 CO 0.35 -1.67 1.72 0.00 0.04 0.00 0.00 177.00 177.44 3gyr s ALA 156 N -3.31 3.30 -0.27 8.56 0.00 -1.26 -4.95 121.76 123.83 3gyr s ALA 156 Ca 0.61 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 53.22 3gyr s ALA 156 Cb -0.13 -3.86 0.12 0.00 0.00 0.00 0.00 23.12 19.25 3gyr s ALA 156 CO 0.52 -1.91 0.26 -0.46 0.00 0.00 0.00 175.76 174.18 3gyr s TRP 157 N 5.26 -0.32 0.04 0.00 -0.00 -1.26 -4.13 118.94 118.52 3gyr s TRP 157 Ca 0.76 -0.18 0.02 0.00 -0.00 0.00 0.00 56.10 56.71 3gyr s TRP 157 Cb -0.29 -0.50 -0.02 0.00 -0.00 0.00 0.00 33.47 32.66 3gyr s TRP 157 CO 0.31 -0.84 -0.07 0.45 -0.00 0.00 0.00 176.95 176.80 3gyr s SER 158 N 2.32 0.79 -0.00 5.86 0.15 -1.01 -4.79 113.70 117.02 3gyr s SER 158 Ca 0.09 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.23 3gyr s SER 158 Cb -0.15 0.03 -0.00 0.00 -1.71 0.00 0.00 66.02 64.19 3gyr s SER 158 CO -0.29 -0.19 -0.01 0.54 1.20 0.00 0.00 173.24 174.49 3gyr s VAL 159 N -1.28 0.10 -0.13 4.45 0.11 -1.26 -0.59 120.40 121.79 3gyr s VAL 159 Ca -0.09 -0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 58.86 3gyr s VAL 159 Cb -0.09 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 3gyr s VAL 159 CO 0.00 0.02 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.84 3gyr s THR 160 N -0.06 3.75 -0.18 5.04 2.01 -1.26 -0.71 115.64 124.23 3gyr s THR 160 Ca 0.00 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 3gyr s THR 160 Cb -0.01 -2.61 -0.00 0.00 0.01 0.00 0.00 72.50 69.89 3gyr s THR 160 CO -0.00 0.52 -0.11 -2.28 -0.69 0.00 0.00 174.62 172.06 3gyr s HIS 161 N 0.11 2.86 -0.85 4.92 5.04 -0.46 -3.87 115.29 123.03 3gyr s HIS 161 Ca -0.02 -1.00 -0.24 0.00 -1.54 0.00 0.00 55.06 52.26 3gyr s HIS 161 Cb -0.14 -1.96 0.06 0.00 0.04 0.00 0.00 32.58 30.57 3gyr s HIS 161 CO 0.03 -0.49 1.28 -1.17 -2.34 0.00 0.00 174.74 172.05 3gyr s LEU 162 N 1.02 3.69 -0.02 8.88 2.96 -1.26 -2.27 118.68 131.69 3gyr s LEU 162 Ca -0.01 -1.09 -0.30 0.00 -0.22 0.00 0.00 54.13 52.52 3gyr s LEU 162 Cb -0.15 -2.52 -0.07 0.00 0.50 0.00 0.00 46.19 43.95 3gyr s LEU 162 CO -0.02 -1.57 1.87 -2.28 -1.32 0.00 0.00 176.35 173.04 3gyr s HIS 163 N 4.85 1.52 0.00 5.38 5.65 0.17 -2.04 115.29 130.82 3gyr s HIS 163 Ca 0.37 -0.15 0.00 0.00 0.25 0.00 0.00 55.06 55.53 3gyr s HIS 163 Cb -0.06 -4.11 0.00 0.00 -1.18 0.00 0.00 32.58 27.23 3gyr s HIS 163 CO 0.02 -4.83 0.00 0.41 -0.65 0.00 0.00 174.74 169.70 3gyr n GLY 164 N 4.51 2.94 3.77 1.59 0.00 -1.26 -2.83 105.19 113.90 3gyr n GLY 164 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3gyr n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyr s ALA 165 N -2.67 3.60 -0.69 4.61 0.00 -0.86 -4.83 121.76 120.93 3gyr s ALA 165 Ca 0.00 1.51 -0.19 0.00 0.00 0.00 0.00 51.96 53.28 3gyr s ALA 165 Cb 0.00 -3.59 0.12 0.00 0.00 0.00 0.00 23.12 19.64 3gyr s ALA 165 CO 0.00 -0.95 0.82 -1.14 0.00 0.00 0.00 175.76 174.49 3gyr s GLN 166 N -1.61 3.21 0.19 0.00 0.74 -1.26 -4.19 119.66 116.74 3gyr s GLN 166 Ca 0.55 -1.46 -0.17 0.00 0.05 0.00 0.00 55.36 54.32 3gyr s GLN 166 Cb -0.45 -4.40 0.03 0.00 1.10 0.00 0.00 33.01 29.29 3gyr s GLN 166 CO 0.57 -1.59 0.51 -0.08 -0.55 0.00 0.00 175.29 174.15 3gyr s THR 167 N 2.60 0.03 0.74 -0.34 -1.32 -1.26 -4.48 115.64 111.60 3gyr s THR 167 Ca 0.17 -0.80 -0.12 0.00 -1.21 0.00 0.00 61.69 59.73 3gyr s THR 167 Cb -0.18 -1.58 0.04 0.00 -1.51 0.00 0.00 72.50 69.27 3gyr s THR 167 CO 0.02 -0.13 1.10 -0.83 -2.21 0.00 0.00 174.62 172.58 3gyr s GLY 168 N -2.88 1.86 0.46 6.08 0.00 -1.26 -4.75 107.32 106.84 3gyr s GLY 168 Ca 0.09 0.40 0.25 0.00 0.00 0.00 0.00 44.72 45.47 3gyr s GLY 168 CO -0.03 0.75 1.79 -1.33 0.00 0.00 0.00 173.10 174.29 3gyr h GLY 169 N -0.74 0.72 2.00 0.20 0.00 -1.44 0.01 103.07 103.83 3gyr h GLY 169 Ca -0.45 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3gyr h GLY 169 CO 0.52 -0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.59 3gyr n GLY 170 N -1.59 -1.22 0.00 4.60 0.00 -1.26 -2.34 105.19 103.39 3gyr n GLY 170 Ca 0.25 0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.36 3gyr n GLY 170 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gyr n ASN 171 N -1.98 1.48 0.17 1.61 3.02 -0.04 -4.74 115.26 114.77 3gyr n ASN 171 Ca 0.03 -0.31 0.13 0.00 -0.03 0.00 0.00 54.58 54.40 3gyr n ASN 171 Cb 0.23 1.36 0.49 0.00 -0.61 0.00 0.00 39.78 41.25 3gyr n ASN 171 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3gyr h ASP 172 N 0.00 0.00 -1.76 6.41 -0.00 -1.08 -3.44 116.42 116.55 3gyr h ASP 172 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3gyr h ASP 172 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.80 3gyr h ASP 172 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.85 3gyr n GLY 173 N 0.36 0.50 3.69 -0.78 0.00 -1.25 -4.21 105.19 103.50 3gyr n GLY 173 Ca 0.03 -0.40 -0.54 0.00 0.00 0.00 0.00 46.02 45.11 3gyr n GLY 173 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3gyr n TRP 174 N -0.88 2.09 -0.32 1.61 -0.00 -1.26 -4.68 117.44 114.01 3gyr n TRP 174 Ca 0.00 0.39 0.19 0.00 -0.00 0.00 0.00 57.50 58.08 3gyr n TRP 174 Cb 0.42 -2.51 0.39 0.00 -0.00 0.00 0.00 31.31 29.61 3gyr n TRP 174 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3gyr h ALA 175 N 7.50 1.60 0.00 5.87 0.00 -1.95 0.24 119.26 132.52 3gyr h ALA 175 Ca -0.47 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gyr h ALA 175 Cb 1.30 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3gyr h ALA 175 CO 0.94 -0.59 0.00 -0.44 0.00 0.00 0.00 179.25 179.16 3gyr h ASP 176 N 0.18 0.00 -0.87 0.00 3.32 -1.89 0.37 116.42 117.53 3gyr h ASP 176 Ca 0.66 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 57.14 3gyr h ASP 176 Cb 1.47 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.78 3gyr h ASP 176 CO -0.70 0.00 0.74 0.59 -1.72 0.00 0.00 179.24 178.15 3gyr n ASN 177 N -3.01 7.31 -4.87 6.45 5.03 0.07 -4.90 115.26 121.35 3gyr n ASN 177 Ca 0.00 -3.56 -0.31 0.00 0.87 0.00 0.00 54.58 51.58 3gyr n ASN 177 Cb 0.27 -1.01 -0.00 0.00 -1.02 0.00 0.00 39.78 38.02 3gyr n ASN 177 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gyr s ALA 178 N -3.19 3.11 0.11 5.41 0.00 -1.26 -4.75 121.76 121.19 3gyr s ALA 178 Ca 0.54 -0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.54 3gyr s ALA 178 Cb 0.42 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 3gyr s ALA 178 CO -0.02 -0.56 -0.23 0.14 0.00 0.00 0.00 175.76 175.09 3gyr s VAL 179 N -3.03 1.86 0.72 0.00 -7.23 0.24 -4.76 120.40 108.21 3gyr s VAL 179 Ca 0.55 -1.58 -0.02 0.00 -1.81 0.00 0.00 61.98 59.12 3gyr s VAL 179 Cb -0.11 -1.68 0.15 0.00 0.56 0.00 0.00 36.38 35.30 3gyr s VAL 179 CO 0.48 -0.00 0.98 0.61 -0.31 0.00 0.00 175.10 176.86 3gyr n GLY 180 N 1.08 0.34 3.63 2.32 0.00 -1.26 -2.41 105.19 108.89 3gyr n GLY 180 Ca -0.19 -1.98 -0.57 0.00 0.00 0.00 0.00 46.02 43.28 3gyr n GLY 180 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3gyr n PHE 181 N -2.90 1.54 0.00 1.61 7.35 -1.26 -1.57 117.46 122.24 3gyr n PHE 181 Ca 0.15 0.74 0.00 0.00 -0.76 0.00 0.00 57.45 57.59 3gyr n PHE 181 Cb 0.55 -2.31 0.00 0.00 0.35 0.00 0.00 39.48 38.07 3gyr n PHE 181 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gyr n GLY 182 N 3.00 2.53 3.95 7.13 0.00 0.25 -5.02 105.19 117.04 3gyr n GLY 182 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 3gyr n GLY 182 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gyr s ASP 183 N -1.49 6.26 0.24 1.61 1.01 -0.61 -4.90 116.67 118.80 3gyr s ASP 183 Ca 0.00 0.07 0.11 0.00 0.71 0.00 0.00 52.55 53.44 3gyr s ASP 183 Cb 0.00 -1.84 -0.05 0.00 1.01 0.00 0.00 42.92 42.05 3gyr s ASP 183 CO 0.00 -0.04 -0.16 0.00 0.21 0.00 0.00 175.17 175.18 3gyr s ALA 184 N -1.93 2.80 -0.20 5.23 0.00 -1.26 -1.56 121.76 124.84 3gyr s ALA 184 Ca 0.34 -1.72 -0.05 0.00 0.00 0.00 0.00 51.96 50.53 3gyr s ALA 184 Cb -0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 3gyr s ALA 184 CO 0.29 0.34 -0.00 -1.14 0.00 0.00 0.00 175.76 175.25 3gyr s GLN 185 N -3.22 3.62 -0.20 0.00 0.74 0.31 -4.95 119.66 115.95 3gyr s GLN 185 Ca 0.27 -0.52 -0.08 0.00 0.05 0.00 0.00 55.36 55.07 3gyr s GLN 185 Cb -0.07 -3.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.93 3gyr s GLN 185 CO 0.15 0.02 0.09 -0.51 -0.55 0.00 0.00 175.29 174.49 3gyr s LEU 186 N 0.98 3.88 -0.02 3.68 1.43 -1.26 -0.57 118.68 126.79 3gyr s LEU 186 Ca 0.01 0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.25 3gyr s LEU 186 Cb -0.14 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 3gyr s LEU 186 CO 0.02 0.13 -0.22 -0.44 0.23 0.00 0.00 176.35 176.06 3gyr s SER 187 N 0.67 2.61 -0.15 2.29 0.01 -0.45 -4.74 113.70 113.93 3gyr s SER 187 Ca 0.05 -0.41 -0.05 0.00 1.31 0.00 0.00 55.95 56.85 3gyr s SER 187 Cb -0.13 -0.39 -0.03 0.00 0.21 0.00 0.00 66.02 65.68 3gyr s SER 187 CO 0.01 0.26 0.01 -0.70 0.41 0.00 0.00 173.24 173.23 3gyr s GLU 188 N -0.42 3.68 -0.27 12.44 2.12 -1.26 -1.15 118.70 133.84 3gyr s GLU 188 Ca 0.06 -0.44 0.03 0.00 0.36 0.00 0.00 54.97 54.98 3gyr s GLU 188 Cb -0.09 -3.00 0.07 0.00 0.26 0.00 0.00 34.13 31.36 3gyr s GLU 188 CO 0.00 0.33 -0.09 0.71 -0.54 0.00 0.00 175.26 175.67 3gyr s TYR 189 N 0.16 3.33 -0.41 5.30 2.02 0.20 -4.76 117.35 123.19 3gyr s TYR 189 Ca 0.01 -2.42 0.26 0.00 -0.37 0.00 0.00 57.07 54.55 3gyr s TYR 189 Cb -0.13 -2.07 0.87 0.00 -0.40 0.00 0.00 41.96 40.23 3gyr s TYR 189 CO 0.02 -0.89 1.77 -1.35 -1.57 0.00 0.00 175.55 173.53 3gyr h PRO 190 N 7.75 0.00 -3.32 -1.71 0.11 -1.84 -1.72 132.00 131.27 3gyr h PRO 190 Ca -0.17 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.54 3gyr h PRO 190 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3gyr h PRO 190 CO 0.47 0.00 -0.52 0.09 -0.21 0.00 0.00 178.00 177.83 3gyr n ASN 191 N -2.64 -5.71 -3.66 -2.05 5.03 -1.26 -4.04 115.26 100.93 3gyr n ASN 191 Ca 0.03 -0.03 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 3gyr n ASN 191 Cb 0.37 -4.74 -0.00 0.00 -1.02 0.00 0.00 39.78 34.39 3gyr n ASN 191 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3gyr n ASP 192 N -2.06 6.01 -3.75 6.41 4.64 -1.26 0.44 116.55 126.98 3gyr n ASP 192 Ca -0.22 -2.97 -0.12 0.00 -1.38 0.00 0.00 54.79 50.10 3gyr n ASP 192 Cb 0.67 -1.51 -0.07 0.00 -1.04 0.00 0.00 41.12 39.17 3gyr n ASP 192 CO 0.00 0.00 0.00 -2.28 -0.82 0.00 0.00 177.20 174.10 3gyr s HIS 193 N 0.99 -0.13 0.77 -0.67 2.46 -1.26 -4.98 115.29 112.46 3gyr s HIS 193 Ca 0.49 0.04 -0.11 0.00 0.47 0.00 0.00 55.06 55.96 3gyr s HIS 193 Cb 0.14 0.10 0.05 0.00 -0.13 0.00 0.00 32.58 32.74 3gyr s HIS 193 CO -0.05 -0.49 1.09 1.14 -2.47 0.00 0.00 174.74 173.96 3gyr s GLN 194 N -2.31 2.31 0.18 2.88 -2.07 -1.26 -4.59 119.66 114.81 3gyr s GLN 194 Ca -0.07 1.15 -0.33 0.00 -1.82 0.00 0.00 55.36 54.29 3gyr s GLN 194 Cb -0.02 -1.90 -0.15 0.00 -1.09 0.00 0.00 33.01 29.85 3gyr s GLN 194 CO -0.02 -1.60 1.31 0.00 -1.32 0.00 0.00 175.29 173.66 3gyr n ALA 195 N -3.49 0.02 -3.79 2.60 0.00 -1.26 -4.87 120.51 109.72 3gyr n ALA 195 Ca 0.09 0.45 -0.03 0.00 0.00 0.00 0.00 53.44 53.95 3gyr n ALA 195 Cb 0.53 -2.15 -0.00 0.00 0.00 0.00 0.00 19.45 17.83 3gyr n ALA 195 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3gyr s THR 196 N 0.04 0.00 -0.38 0.00 -1.32 -0.89 -4.26 115.64 108.83 3gyr s THR 196 Ca 0.73 -0.63 -0.14 0.00 -1.21 0.00 0.00 61.69 60.44 3gyr s THR 196 Cb -0.78 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 67.88 3gyr s THR 196 CO 0.49 0.00 0.28 -1.58 -2.21 0.00 0.00 174.62 171.61 3gyr s GLN 197 N -2.84 3.24 0.61 7.08 0.74 -1.26 -1.17 119.66 126.06 3gyr s GLN 197 Ca 0.16 -0.81 0.03 0.00 0.05 0.00 0.00 55.36 54.79 3gyr s GLN 197 Cb -0.02 -3.90 0.08 0.00 1.10 0.00 0.00 33.01 30.28 3gyr s GLN 197 CO 0.03 -0.61 0.84 -1.58 -0.55 0.00 0.00 175.29 173.43 3gyr s TRP 198 N 1.74 1.99 0.06 1.67 0.51 0.82 -4.87 118.94 120.86 3gyr s TRP 198 Ca 0.06 -0.34 -0.10 0.00 -2.12 0.00 0.00 56.10 53.60 3gyr s TRP 198 Cb -0.18 -2.67 0.01 0.00 -0.81 0.00 0.00 33.47 29.82 3gyr s TRP 198 CO 0.10 -1.22 0.22 1.67 -0.51 0.00 0.00 176.95 177.21 3gyr s TRP 199 N -2.84 0.05 0.10 -1.98 1.48 -1.13 -1.30 118.94 113.32 3gyr s TRP 199 Ca 0.62 -0.33 0.08 0.00 -1.06 0.00 0.00 56.10 55.40 3gyr s TRP 199 Cb -0.07 -0.01 -0.03 0.00 -1.16 0.00 0.00 33.47 32.20 3gyr s TRP 199 CO 0.40 -0.49 -0.20 1.52 -4.06 0.00 0.00 176.95 174.12 3gyr s TYR 200 N -3.04 1.74 0.11 1.66 -0.85 0.78 0.44 117.35 118.19 3gyr s TYR 200 Ca -0.01 -0.42 -0.26 0.00 -0.52 0.00 0.00 57.07 55.86 3gyr s TYR 200 Cb 0.01 -0.96 0.07 0.00 0.38 0.00 0.00 41.96 41.47 3gyr s TYR 200 CO -0.06 0.19 0.86 -3.38 -1.52 0.00 0.00 175.55 171.63 3gyr s HIS 201 N -1.16 -0.27 0.63 -3.49 -3.43 -0.96 -1.31 115.29 105.30 3gyr s HIS 201 Ca 0.06 0.03 -0.19 0.00 -0.80 0.00 0.00 55.06 54.16 3gyr s HIS 201 Cb -0.10 0.60 -0.02 0.00 -1.43 0.00 0.00 32.58 31.63 3gyr s HIS 201 CO 0.04 -0.77 1.30 0.34 -2.00 0.00 0.00 174.74 173.65 3gyr s ASP 202 N -2.74 4.71 0.00 7.38 -1.08 -0.90 -1.35 116.67 122.68 3gyr s ASP 202 Ca 0.08 2.64 0.12 0.00 -0.52 0.00 0.00 52.55 54.87 3gyr s ASP 202 Cb -0.02 -2.62 0.20 0.00 -1.46 0.00 0.00 42.92 39.02 3gyr s ASP 202 CO -0.03 -1.94 1.04 1.57 0.52 0.00 0.00 175.17 176.33 3gyr n HIS 203 N -1.78 0.00 -2.18 -5.34 -0.00 0.11 -4.78 115.22 101.25 3gyr n HIS 203 Ca 0.15 -0.27 -0.41 0.00 0.46 0.00 0.00 57.72 57.65 3gyr n HIS 203 Cb 0.48 -0.03 -0.03 0.00 -0.12 0.00 0.00 29.99 30.29 3gyr n HIS 203 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3gyr s ALA 204 N 0.00 3.51 0.09 1.57 0.00 -1.26 -4.06 121.76 121.61 3gyr s ALA 204 Ca 0.16 1.17 -0.32 0.00 0.00 0.00 0.00 51.96 52.97 3gyr s ALA 204 Cb 0.18 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.72 3gyr s ALA 204 CO -0.08 -0.56 1.85 -0.12 0.00 0.00 0.00 175.76 176.85 3gyr n MET 205 N 1.73 2.68 0.00 0.00 0.00 0.12 -2.32 117.12 119.34 3gyr n MET 205 Ca 0.03 0.98 0.00 0.00 -0.00 0.00 0.00 57.70 58.71 3gyr n MET 205 Cb 0.42 -2.87 0.00 0.00 0.00 0.00 0.00 33.22 30.78 3gyr n MET 205 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3gyr n ASN 206 N 5.91 0.00 0.00 6.12 3.02 -1.26 -4.73 115.26 124.32 3gyr n ASN 206 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 3gyr n ASN 206 Cb 0.36 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 3gyr n ASN 206 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3gyr n ILE 207 N -1.24 0.43 -0.34 2.41 -5.35 -1.04 -4.75 119.36 109.48 3gyr n ILE 207 Ca 0.00 -0.49 0.23 0.00 -0.27 0.00 0.00 62.75 62.22 3gyr n ILE 207 Cb 0.00 0.88 0.49 0.00 -1.74 0.00 0.00 39.64 39.27 3gyr n ILE 207 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3gyr h THR 208 N 1.18 0.47 0.00 7.28 2.02 -1.75 0.83 112.91 122.94 3gyr h THR 208 Ca 0.00 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3gyr h THR 208 Cb 0.62 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3gyr h THR 208 CO 0.00 0.07 -0.03 0.08 0.37 0.00 0.00 175.52 176.02 3gyr h ARG 209 N 0.40 0.00 0.01 6.66 0.11 -1.85 -1.96 114.38 117.75 3gyr h ARG 209 Ca 0.64 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 60.36 3gyr h ARG 209 Cb 1.56 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.59 3gyr h ARG 209 CO -0.38 0.03 -1.97 0.91 0.10 0.00 0.00 179.97 178.65 3gyr n TRP 210 N -3.19 0.50 -0.33 4.08 8.01 0.17 -4.00 117.44 122.68 3gyr n TRP 210 Ca -0.01 0.20 0.09 0.00 -1.31 0.00 0.00 57.50 56.47 3gyr n TRP 210 Cb 0.21 -1.05 0.25 0.00 -2.01 0.00 0.00 31.31 28.71 3gyr n TRP 210 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 3gyr h ASN 211 N -0.90 0.73 -0.09 -0.99 4.21 -1.17 0.14 115.58 117.52 3gyr h ASN 211 Ca -0.53 0.08 -0.03 0.00 1.21 0.00 0.00 56.30 57.03 3gyr h ASN 211 Cb 1.52 -0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 38.66 3gyr h ASN 211 CO -0.29 0.33 -0.05 0.58 -1.29 0.00 0.00 177.43 176.70 3gyr h VAL 212 N 0.78 1.33 -0.72 2.81 2.07 -1.59 -2.85 116.25 118.08 3gyr h VAL 212 Ca 0.50 -1.08 0.13 0.00 0.82 0.00 0.00 66.70 67.07 3gyr h VAL 212 Cb 0.66 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 3gyr h VAL 212 CO -0.33 0.30 0.48 -0.03 0.02 0.00 0.00 177.57 178.01 3gyr h MET 213 N -0.17 0.44 0.00 1.57 1.85 -1.58 -1.49 114.93 115.54 3gyr h MET 213 Ca 0.02 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.08 3gyr h MET 213 Cb 0.51 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 32.44 3gyr h MET 213 CO 0.01 0.29 -0.01 0.00 -0.40 0.00 0.00 176.91 176.81 3gyr h ALA 214 N 1.65 1.07 0.00 0.39 0.00 -0.49 -3.45 119.26 118.43 3gyr h ALA 214 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3gyr h ALA 214 Cb 0.71 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3gyr h ALA 214 CO -0.11 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.56 3gyr n GLY 215 N -0.91 -0.16 3.30 0.00 0.00 -0.57 -0.29 105.19 106.57 3gyr n GLY 215 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 3gyr n GLY 215 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gyr n LEU 216 N 0.00 5.59 -3.69 0.99 4.77 -1.18 -4.56 117.00 118.92 3gyr n LEU 216 Ca 0.00 -4.29 -0.14 0.00 -0.03 0.00 0.00 56.01 51.55 3gyr n LEU 216 Cb 0.00 -1.64 -0.08 0.00 -2.33 0.00 0.00 43.42 39.37 3gyr n LEU 216 CO 0.00 0.72 0.16 -0.72 -1.33 0.00 0.00 177.39 176.22 3gyr s TYR 217 N 2.35 -0.42 0.21 -1.77 -0.85 -1.26 -2.12 117.35 113.49 3gyr s TYR 217 Ca 0.46 0.87 -0.23 0.00 -0.52 0.00 0.00 57.07 57.65 3gyr s TYR 217 Cb 0.03 0.19 0.06 0.00 0.38 0.00 0.00 41.96 42.62 3gyr s TYR 217 CO 0.01 -0.37 0.91 0.20 -1.52 0.00 0.00 175.55 174.79 3gyr s GLY 218 N -0.62 -0.08 0.39 5.49 0.00 -0.43 -0.12 107.32 111.96 3gyr s GLY 218 Ca -0.07 -0.14 0.08 0.00 0.00 0.00 0.00 44.72 44.59 3gyr s GLY 218 CO 0.04 0.38 0.08 -1.08 0.00 0.00 0.00 173.10 172.52 3gyr s THR 219 N -3.09 2.36 -0.24 0.90 -1.32 -1.26 -0.15 115.64 112.84 3gyr s THR 219 Ca 0.14 -1.86 -0.03 0.00 -1.21 0.00 0.00 61.69 58.73 3gyr s THR 219 Cb -0.03 -2.93 0.13 0.00 -1.51 0.00 0.00 72.50 68.16 3gyr s THR 219 CO 0.05 -0.07 0.33 -0.47 -2.21 0.00 0.00 174.62 172.25 3gyr s TYR 220 N -2.59 -0.66 -0.21 9.09 6.14 -0.42 -1.96 117.35 126.74 3gyr s TYR 220 Ca 0.37 0.55 -0.09 0.00 0.64 0.00 0.00 57.07 58.54 3gyr s TYR 220 Cb 0.04 -0.13 -0.04 0.00 0.42 0.00 0.00 41.96 42.24 3gyr s TYR 220 CO 0.20 -0.73 0.10 -0.51 0.64 0.00 0.00 175.55 175.26 3gyr s LEU 221 N 2.47 3.95 -0.16 6.97 1.43 0.13 -0.13 118.68 133.34 3gyr s LEU 221 Ca 0.11 0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 3gyr s LEU 221 Cb -0.15 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3gyr s LEU 221 CO -0.17 0.13 0.13 -0.69 0.23 0.00 0.00 176.35 175.97 3gyr s VAL 222 N 0.65 5.39 0.04 -1.59 1.01 -0.31 -1.48 120.40 124.11 3gyr s VAL 222 Ca 0.05 0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.26 3gyr s VAL 222 Cb -0.13 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3gyr s VAL 222 CO 0.01 0.54 -0.10 -0.13 0.00 0.00 0.00 175.10 175.41 3gyr s ARG 223 N -0.38 2.31 0.25 2.72 1.81 0.80 -2.10 118.95 124.37 3gyr s ARG 223 Ca 0.11 -0.87 0.01 0.00 -1.72 0.00 0.00 55.73 53.26 3gyr s ARG 223 Cb -0.12 -2.37 -0.00 0.00 -0.45 0.00 0.00 34.95 32.01 3gyr s ARG 223 CO 0.01 0.56 0.30 -0.40 -0.68 0.00 0.00 175.30 175.10 3gyr n ASP 224 N 1.31 -0.82 0.08 0.23 5.68 -1.26 0.38 116.55 122.14 3gyr n ASP 224 Ca -0.15 -2.46 -0.14 0.00 -0.50 0.00 0.00 54.79 51.54 3gyr n ASP 224 Cb 0.52 1.63 -0.07 0.00 -1.14 0.00 0.00 41.12 42.06 3gyr n ASP 224 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3gyr h ASP 225 N 1.46 0.48 0.09 -1.12 3.45 -1.99 -1.98 116.42 116.81 3gyr h ASP 225 Ca -0.19 -0.42 0.00 0.00 0.43 0.00 0.00 57.03 56.86 3gyr h ASP 225 Cb 0.87 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.48 3gyr h ASP 225 CO 0.26 1.25 -0.09 -0.08 -1.57 0.00 0.00 179.24 179.01 3gyr h GLU 226 N 0.17 -0.19 -0.70 3.56 4.81 -1.99 -0.94 114.58 119.30 3gyr h GLU 226 Ca -0.09 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3gyr h GLU 226 Cb 1.69 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 31.09 3gyr h GLU 226 CO 0.17 -0.13 0.34 1.49 -0.73 0.00 0.00 179.01 180.16 3gyr h GLU 227 N -0.20 1.00 -0.82 1.92 4.81 -1.97 -2.08 114.58 117.24 3gyr h GLU 227 Ca 0.00 -0.14 0.10 0.00 -0.13 0.00 0.00 59.36 59.19 3gyr h GLU 227 Cb 0.19 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 3gyr h GLU 227 CO -0.03 0.78 0.53 -0.44 -0.73 0.00 0.00 179.01 179.13 3gyr h ASP 228 N 0.97 0.69 0.59 1.04 3.32 -0.90 -1.67 116.42 120.46 3gyr h ASP 228 Ca 0.24 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3gyr h ASP 228 Cb 0.11 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3gyr h ASP 228 CO -0.03 0.41 0.00 0.00 -1.72 0.00 0.00 179.24 177.90 3gyr n ALA 229 N -2.44 1.78 1.23 3.45 0.00 -0.40 -1.19 120.51 122.95 3gyr n ALA 229 Ca 0.14 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.66 3gyr n ALA 229 Cb 0.32 -1.28 0.68 0.00 0.00 0.00 0.00 19.45 19.17 3gyr n ALA 229 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gyr n LEU 230 N -1.51 0.00 -4.13 0.00 4.77 -0.63 -4.97 117.00 110.53 3gyr n LEU 230 Ca 0.04 0.35 -0.44 0.00 -0.03 0.00 0.00 56.01 55.92 3gyr n LEU 230 Cb 0.20 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3gyr n LEU 230 CO 0.16 -0.02 -0.23 0.61 -1.33 0.00 0.00 177.39 176.58 3gyr n GLY 231 N 1.17 -0.69 3.84 -0.72 0.00 -0.33 -4.95 105.19 103.52 3gyr n GLY 231 Ca 0.11 0.30 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 3gyr n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gyr s LEU 232 N -7.47 3.44 0.19 0.99 1.43 -1.26 -4.97 118.68 111.03 3gyr s LEU 232 Ca 0.40 1.57 -0.30 0.00 -1.03 0.00 0.00 54.13 54.77 3gyr s LEU 232 Cb -0.22 -4.50 -0.17 0.00 0.03 0.00 0.00 46.19 41.33 3gyr s LEU 232 CO 0.97 -0.84 0.77 -2.65 0.23 0.00 0.00 176.35 174.83 3gyr n PRO 233 N -2.14 0.41 -3.05 1.29 -0.02 -1.26 -4.97 135.00 125.26 3gyr n PRO 233 Ca 0.07 0.15 -0.09 0.00 -2.02 0.00 0.00 63.50 61.60 3gyr n PRO 233 Cb 0.54 -1.35 -0.03 0.00 -0.02 0.00 0.00 33.50 32.65 3gyr n PRO 233 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gyr n SER 234 N 1.79 -0.69 0.00 2.55 3.41 -1.26 -4.47 113.62 114.94 3gyr n SER 234 Ca 0.16 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 3gyr n SER 234 Cb 0.24 1.34 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 3gyr n SER 234 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gyr n GLY 235 N -0.34 3.62 0.15 5.00 0.00 -1.26 -1.48 105.19 110.88 3gyr n GLY 235 Ca 0.01 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.06 3gyr n GLY 235 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gyr n ASP 236 N 5.96 0.51 -0.87 1.61 8.00 -1.26 -2.15 116.55 128.35 3gyr n ASP 236 Ca 0.00 0.74 0.07 0.00 0.71 0.00 0.00 54.79 56.31 3gyr n ASP 236 Cb 0.00 -0.80 0.21 0.00 -0.02 0.00 0.00 41.12 40.51 3gyr n ASP 236 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gyr n ARG 237 N -2.20 2.93 -4.01 -1.24 5.12 -0.55 -4.78 116.66 111.94 3gyr n ARG 237 Ca -0.01 -2.31 -0.34 0.00 -1.93 0.00 0.00 57.85 53.26 3gyr n ARG 237 Cb 0.04 -1.44 -0.15 0.00 -1.16 0.00 0.00 32.46 29.76 3gyr n ARG 237 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3gyr s GLU 238 N -1.26 2.68 -0.26 5.56 2.12 -0.91 -0.03 118.70 126.60 3gyr s GLU 238 Ca 0.32 -1.07 0.03 0.00 0.36 0.00 0.00 54.97 54.61 3gyr s GLU 238 Cb 0.19 -2.91 0.06 0.00 0.26 0.00 0.00 34.13 31.73 3gyr s GLU 238 CO 0.19 -0.43 -0.09 0.42 -0.54 0.00 0.00 175.26 174.81 3gyr s ILE 239 N 1.26 2.06 0.23 -3.70 1.01 0.19 -4.80 121.20 117.45 3gyr s ILE 239 Ca -0.02 -1.62 -0.30 0.00 0.00 0.00 0.00 60.65 58.71 3gyr s ILE 239 Cb -0.17 -2.22 -0.10 0.00 0.01 0.00 0.00 42.46 39.97 3gyr s ILE 239 CO -0.06 -0.08 1.52 -2.84 0.00 0.00 0.00 174.94 173.48 3gyr s PRO 240 N 1.14 4.21 -0.22 2.79 0.02 -1.26 -1.46 135.00 140.22 3gyr s PRO 240 Ca -0.07 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.35 3gyr s PRO 240 Cb -0.20 -3.10 0.06 0.00 0.02 0.00 0.00 34.50 31.28 3gyr s PRO 240 CO -0.06 -0.53 -0.04 -0.51 -0.33 0.00 0.00 177.00 175.53 3gyr s LEU 241 N 0.07 2.28 -0.49 -5.54 1.43 0.37 -4.85 118.68 111.95 3gyr s LEU 241 Ca 0.64 -1.08 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 3gyr s LEU 241 Cb -0.44 -1.07 0.11 0.00 0.03 0.00 0.00 46.19 44.82 3gyr s LEU 241 CO 0.41 -0.24 0.40 -0.76 0.23 0.00 0.00 176.35 176.39 3gyr s LEU 242 N 1.48 5.80 0.07 1.79 1.02 -1.26 -1.60 118.68 125.98 3gyr s LEU 242 Ca -0.05 -1.69 -0.08 0.00 0.02 0.00 0.00 54.13 52.33 3gyr s LEU 242 Cb -0.18 -2.12 -0.05 0.00 0.02 0.00 0.00 46.19 43.85 3gyr s LEU 242 CO -0.07 -0.73 0.36 0.27 0.02 0.00 0.00 176.35 176.21 3gyr s ILE 243 N 1.52 5.16 -0.23 -0.59 -4.36 -0.82 -1.05 121.20 120.82 3gyr s ILE 243 Ca 0.04 0.30 -0.12 0.00 -0.26 0.00 0.00 60.65 60.62 3gyr s ILE 243 Cb -0.27 -3.62 0.08 0.00 1.25 0.00 0.00 42.46 39.90 3gyr s ILE 243 CO 0.03 0.27 0.55 0.00 0.24 0.00 0.00 174.94 176.03 3gyr s ALA 244 N -1.42 -1.52 0.62 2.27 0.00 0.09 0.57 121.76 122.36 3gyr s ALA 244 Ca 0.33 1.99 -0.16 0.00 0.00 0.00 0.00 51.96 54.13 3gyr s ALA 244 Cb -0.13 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 3gyr s ALA 244 CO 0.19 -0.45 1.08 0.16 0.00 0.00 0.00 175.76 176.73 3gyr s ASP 245 N 1.83 5.53 0.04 0.00 -4.77 -1.26 -0.75 116.67 117.29 3gyr s ASP 245 Ca -0.08 1.89 -0.03 0.00 -3.30 0.00 0.00 52.55 51.03 3gyr s ASP 245 Cb -0.08 -2.54 -0.02 0.00 -1.09 0.00 0.00 42.92 39.19 3gyr s ASP 245 CO -0.16 -1.34 0.04 -0.13 0.70 0.00 0.00 175.17 174.27 3gyr s ARG 246 N -4.06 0.58 0.33 2.11 1.81 0.12 -4.84 118.95 114.99 3gyr s ARG 246 Ca 0.65 -0.93 0.10 0.00 -1.72 0.00 0.00 55.73 53.83 3gyr s ARG 246 Cb -0.18 0.21 -0.06 0.00 -0.45 0.00 0.00 34.95 34.47 3gyr s ARG 246 CO 0.38 -0.13 -0.12 1.21 -0.68 0.00 0.00 175.30 175.97 3gyr s ASN 247 N -2.39 3.68 0.04 0.23 3.84 -1.25 -1.67 114.94 117.42 3gyr s ASN 247 Ca -0.01 -1.16 0.01 0.00 0.21 0.00 0.00 52.86 51.91 3gyr s ASN 247 Cb 0.02 -0.33 -0.03 0.00 -0.55 0.00 0.00 41.25 40.35 3gyr s ASN 247 CO -0.07 -0.15 -0.05 -0.76 -2.79 0.00 0.00 177.10 173.27 3gyr s LEU 248 N -3.58 2.31 0.60 3.21 1.43 -1.26 -1.03 118.68 120.36 3gyr s LEU 248 Ca 0.32 -0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 3gyr s LEU 248 Cb 0.01 -0.02 -0.01 0.00 0.03 0.00 0.00 46.19 46.20 3gyr s LEU 248 CO 0.16 -0.32 0.96 -0.62 0.23 0.00 0.00 176.35 176.76 3gyr s ASP 249 N -1.88 5.87 0.12 2.29 -1.08 -0.00 -0.82 116.67 121.17 3gyr s ASP 249 Ca -0.07 1.05 0.07 0.00 -0.52 0.00 0.00 52.55 53.07 3gyr s ASP 249 Cb -0.06 -2.08 -0.04 0.00 -1.46 0.00 0.00 42.92 39.29 3gyr s ASP 249 CO -0.02 -0.98 -0.16 0.42 0.52 0.00 0.00 175.17 174.95 3gyr s THR 250 N -3.08 1.44 0.94 1.71 -4.23 -1.26 -0.40 115.64 110.76 3gyr s THR 250 Ca 0.54 -1.66 -0.15 0.00 -1.18 0.00 0.00 61.69 59.23 3gyr s THR 250 Cb -0.11 -1.52 0.17 0.00 1.34 0.00 0.00 72.50 72.39 3gyr s THR 250 CO 0.49 -0.32 1.27 -1.81 -0.54 0.00 0.00 174.62 173.71 3gyr s ASP 251 N -2.30 3.33 0.51 3.99 1.01 0.22 -4.85 116.67 118.57 3gyr s ASP 251 Ca 0.08 0.45 0.20 0.00 0.71 0.00 0.00 52.55 53.98 3gyr s ASP 251 Cb -0.07 -0.64 1.28 0.00 1.01 0.00 0.00 42.92 44.51 3gyr s ASP 251 CO 0.04 -2.62 2.05 -0.33 0.21 0.00 0.00 175.17 174.52 3gyr h GLU 252 N -1.56 0.08 -0.09 8.23 5.08 -2.02 0.39 114.58 124.70 3gyr h GLU 252 Ca -0.45 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3gyr h GLU 252 Cb 1.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3gyr h GLU 252 CO 0.46 0.05 0.00 -0.40 -1.00 0.00 0.00 179.01 178.12 3gyr n ASP 253 N -4.45 1.11 0.00 1.42 5.75 -1.26 -4.89 116.55 114.23 3gyr n ASP 253 Ca 0.05 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 3gyr n ASP 253 Cb 0.37 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3gyr n ASP 253 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gyr n GLY 254 N 1.05 0.66 3.73 6.12 0.00 0.14 -5.04 105.19 111.85 3gyr n GLY 254 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3gyr n GLY 254 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 255 N -0.70 4.36 0.19 1.61 1.81 -1.25 -4.71 118.95 120.27 3gyr s ARG 255 Ca 0.00 2.09 -0.32 0.00 -1.72 0.00 0.00 55.73 55.78 3gyr s ARG 255 Cb 0.00 -3.19 -0.12 0.00 -0.45 0.00 0.00 34.95 31.19 3gyr s ARG 255 CO 0.00 -0.30 1.74 -0.51 -0.68 0.00 0.00 175.30 175.55 3gyr s LEU 256 N 0.07 4.38 -0.09 2.53 1.43 -1.26 0.71 118.68 126.45 3gyr s LEU 256 Ca 0.58 2.84 0.13 0.00 -1.03 0.00 0.00 54.13 56.66 3gyr s LEU 256 Cb -0.37 -3.59 0.34 0.00 0.03 0.00 0.00 46.19 42.60 3gyr s LEU 256 CO 0.37 -0.98 1.26 -0.46 0.23 0.00 0.00 176.35 176.78 3gyr n ASN 257 N 4.34 3.06 0.00 2.29 0.23 0.47 -4.82 115.26 120.82 3gyr n ASN 257 Ca 0.16 -2.60 0.00 0.00 -0.53 0.00 0.00 54.58 51.62 3gyr n ASN 257 Cb 0.36 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3gyr n ASN 257 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gyr n GLY 258 N -0.39 2.63 3.73 4.83 0.00 -1.26 -4.74 105.19 109.99 3gyr n GLY 258 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3gyr n GLY 258 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 259 N -0.00 4.66 0.05 1.61 0.52 -1.26 -4.47 118.95 120.05 3gyr s ARG 259 Ca 0.00 1.37 -0.30 0.00 -0.52 0.00 0.00 55.73 56.28 3gyr s ARG 259 Cb 0.00 -3.37 -0.08 0.00 0.52 0.00 0.00 34.95 32.02 3gyr s ARG 259 CO 0.00 0.24 1.64 -0.51 0.02 0.00 0.00 175.30 176.69 3gyr s LEU 260 N -0.05 4.36 -0.23 2.53 1.43 -1.26 -0.82 118.68 124.64 3gyr s LEU 260 Ca 0.45 2.43 0.02 0.00 -1.03 0.00 0.00 54.13 56.00 3gyr s LEU 260 Cb -0.23 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.48 3gyr s LEU 260 CO 0.28 -0.88 -0.14 -0.22 0.23 0.00 0.00 176.35 175.62 3gyr s LEU 261 N 2.86 2.92 -0.66 1.79 2.96 -0.20 -1.46 118.68 126.89 3gyr s LEU 261 Ca 0.74 -1.08 -0.21 0.00 -0.22 0.00 0.00 54.13 53.36 3gyr s LEU 261 Cb -0.38 -1.53 0.09 0.00 0.50 0.00 0.00 46.19 44.87 3gyr s LEU 261 CO 0.32 -0.11 0.87 -2.28 -1.32 0.00 0.00 176.35 173.82 3gyr s HIS 262 N 1.19 2.86 -0.29 5.38 5.65 0.16 -3.95 115.29 126.29 3gyr s HIS 262 Ca -0.03 -0.81 0.01 0.00 0.25 0.00 0.00 55.06 54.49 3gyr s HIS 262 Cb -0.17 -4.17 0.06 0.00 -1.18 0.00 0.00 32.58 27.12 3gyr s HIS 262 CO -0.08 -1.48 -0.04 0.21 -0.65 0.00 0.00 174.74 172.69 3gyr s LYS 263 N 3.34 2.19 0.34 2.88 2.20 -1.26 -0.92 119.74 128.51 3gyr s LYS 263 Ca 0.19 -1.41 0.07 0.00 -0.36 0.00 0.00 55.97 54.45 3gyr s LYS 263 Cb -0.19 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 3gyr s LYS 263 CO 0.07 -0.65 0.41 0.95 -0.36 0.00 0.00 175.35 175.76 3gyr s THR 264 N 1.12 3.84 -0.13 3.43 -4.23 -0.74 -4.58 115.64 114.36 3gyr s THR 264 Ca -0.05 -1.13 -0.02 0.00 -1.18 0.00 0.00 61.69 59.31 3gyr s THR 264 Cb -0.20 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.30 3gyr s THR 264 CO -0.04 -0.16 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.13 3gyr s VAL 265 N -2.23 3.69 -0.25 2.29 1.01 -1.26 -1.73 120.40 121.92 3gyr s VAL 265 Ca 0.44 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 3gyr s VAL 265 Cb -0.08 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 3gyr s VAL 265 CO 0.29 0.52 1.24 -0.63 0.00 0.00 0.00 175.10 176.52 3gyr s ILE 266 N 0.12 4.28 -0.13 2.22 1.01 0.76 -0.67 121.20 128.78 3gyr s ILE 266 Ca -0.02 1.50 0.18 0.00 0.00 0.00 0.00 60.65 62.30 3gyr s ILE 266 Cb -0.14 -4.15 -0.24 0.00 0.01 0.00 0.00 42.46 37.95 3gyr s ILE 266 CO 0.03 -0.33 0.37 1.33 0.00 0.00 0.00 174.94 176.34 3gyr n VAL 267 N 5.80 1.14 -3.83 2.92 0.24 -0.07 -3.49 118.33 121.05 3gyr n VAL 267 Ca 0.14 -0.76 -0.26 0.00 -2.04 0.00 0.00 64.34 61.42 3gyr n VAL 267 Cb 0.46 -0.51 -0.17 0.00 -1.47 0.00 0.00 33.84 32.15 3gyr n VAL 267 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3gyr s GLN 268 N -2.77 1.06 0.15 7.34 0.74 -1.04 -5.01 119.66 120.13 3gyr s GLN 268 Ca -0.08 -0.23 -0.12 0.00 0.05 0.00 0.00 55.36 54.98 3gyr s GLN 268 Cb 0.08 -1.59 0.01 0.00 1.10 0.00 0.00 33.01 32.61 3gyr s GLN 268 CO 0.84 -0.38 1.58 0.37 -0.55 0.00 0.00 175.29 177.15 3gyr h GLN 269 N 8.22 0.87 -3.11 1.67 5.75 -1.88 -0.82 115.11 125.80 3gyr h GLN 269 Ca -0.23 -0.29 -0.31 0.00 -0.15 0.00 0.00 58.65 57.67 3gyr h GLN 269 Cb 1.12 -0.07 -0.36 0.00 1.07 0.00 0.00 27.48 29.24 3gyr h GLN 269 CO 0.35 0.93 -0.66 0.45 -2.65 0.00 0.00 178.83 177.25 3gyr s SER 270 N -6.40 0.87 0.09 -0.69 0.15 -1.26 -3.24 113.70 103.22 3gyr s SER 270 Ca -0.12 0.25 -0.30 0.00 0.70 0.00 0.00 55.95 56.48 3gyr s SER 270 Cb 0.11 0.19 -0.05 0.00 -1.71 0.00 0.00 66.02 64.56 3gyr s SER 270 CO 0.83 -0.25 1.02 0.21 1.20 0.00 0.00 173.24 176.25 3gyr s ASN 271 N 2.27 7.37 0.55 5.45 2.47 -0.49 -4.91 114.94 127.64 3gyr s ASN 271 Ca 0.04 1.84 0.32 0.00 0.42 0.00 0.00 52.86 55.48 3gyr s ASN 271 Cb -0.12 -2.59 1.48 0.00 -1.45 0.00 0.00 41.25 38.57 3gyr s ASN 271 CO -0.05 -0.20 1.86 -0.65 -3.72 0.00 0.00 177.10 174.34 3gyr h PRO 272 N 5.97 0.00 0.00 0.43 0.11 -1.95 -1.75 132.00 134.81 3gyr h PRO 272 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3gyr h PRO 272 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gyr h PRO 272 CO 0.74 0.00 -1.71 0.39 -0.21 0.00 0.00 178.00 177.21 3gyr n GLU 273 N -4.13 0.62 -4.54 1.05 1.02 -1.26 -4.95 120.64 108.46 3gyr n GLU 273 Ca 0.18 -0.11 -0.25 0.00 -0.02 0.00 0.00 57.16 56.95 3gyr n GLU 273 Cb 0.97 -1.60 -0.10 0.00 -0.02 0.00 0.00 31.44 30.69 3gyr n GLU 273 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3gyr s THR 274 N -3.46 1.30 0.52 2.62 -4.23 -0.66 -5.00 115.64 106.73 3gyr s THR 274 Ca -0.06 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.64 3gyr s THR 274 Cb 0.13 -2.70 0.31 0.00 1.34 0.00 0.00 72.50 71.58 3gyr s THR 274 CO 0.88 0.00 2.10 1.23 -0.54 0.00 0.00 174.62 178.28 3gyr h GLY 275 N 1.88 0.05 -3.21 3.99 0.00 -1.93 -3.34 103.07 100.51 3gyr h GLY 275 Ca -0.41 -0.02 -0.52 0.00 0.00 0.00 0.00 47.33 46.38 3gyr h GLY 275 CO 0.71 0.01 -0.11 0.54 0.00 0.00 0.00 176.54 177.70 3gyr s LYS 276 N -5.08 3.69 0.56 4.80 1.02 -1.26 -4.26 119.74 119.19 3gyr s LYS 276 Ca -0.05 0.12 -0.20 0.00 0.02 0.00 0.00 55.97 55.85 3gyr s LYS 276 Cb 0.18 -2.62 -0.05 0.00 -0.52 0.00 0.00 37.83 34.82 3gyr s LYS 276 CO 0.69 0.21 1.25 -1.25 -0.92 0.00 0.00 175.35 175.33 3gyr s PRO 277 N -3.41 3.15 -0.15 -1.68 0.04 -1.20 -1.40 135.00 130.35 3gyr s PRO 277 Ca 0.46 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.46 3gyr s PRO 277 Cb -0.11 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.34 3gyr s PRO 277 CO 0.28 -1.10 -0.21 0.08 0.04 0.00 0.00 177.00 176.10 3gyr s VAL 278 N -1.49 2.01 0.10 -0.36 1.01 -0.31 -4.94 120.40 116.42 3gyr s VAL 278 Ca 0.73 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.87 3gyr s VAL 278 Cb -0.33 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3gyr s VAL 278 CO 0.38 0.54 -0.17 -0.94 0.00 0.00 0.00 175.10 174.90 3gyr s SER 279 N 1.03 3.93 1.11 3.32 1.04 -1.26 -0.89 113.70 121.98 3gyr s SER 279 Ca -0.02 -0.52 -0.17 0.00 0.48 0.00 0.00 55.95 55.72 3gyr s SER 279 Cb -0.14 -0.59 0.24 0.00 0.10 0.00 0.00 66.02 65.63 3gyr s SER 279 CO -0.06 0.19 1.15 0.27 0.98 0.00 0.00 173.24 175.76 3gyr s ILE 280 N -1.12 1.76 1.09 -1.02 -4.36 0.15 -4.90 121.20 112.81 3gyr s ILE 280 Ca 0.18 0.00 -0.14 0.00 -0.26 0.00 0.00 60.65 60.43 3gyr s ILE 280 Cb -0.11 -2.60 0.24 0.00 1.25 0.00 0.00 42.46 41.24 3gyr s ILE 280 CO 0.10 0.00 1.08 -2.84 0.24 0.00 0.00 174.94 173.52 3gyr s PRO 281 N -5.41 -0.31 -0.02 0.37 0.02 -1.26 -4.45 135.00 123.93 3gyr s PRO 281 Ca 0.70 0.43 -0.30 0.00 0.02 0.00 0.00 61.00 61.84 3gyr s PRO 281 Cb -0.11 -1.66 -0.04 0.00 0.02 0.00 0.00 34.50 32.71 3gyr s PRO 281 CO 0.55 -3.21 1.28 0.12 -0.33 0.00 0.00 177.00 175.42 3gyr s PHE 282 N -2.86 3.08 0.02 6.54 5.36 -1.26 -4.68 117.98 124.18 3gyr s PHE 282 Ca 0.67 1.06 0.02 0.00 -0.96 0.00 0.00 56.93 57.72 3gyr s PHE 282 Cb -0.18 -3.52 -0.01 0.00 -0.34 0.00 0.00 43.02 38.97 3gyr s PHE 282 CO 0.59 -1.77 -0.07 -0.06 -1.46 0.00 0.00 175.22 172.45 3gyr s PHE 283 N 2.17 0.61 0.05 10.12 0.08 -1.26 -4.03 117.98 125.72 3gyr s PHE 283 Ca 0.59 -0.30 -0.00 0.00 0.12 0.00 0.00 56.93 57.34 3gyr s PHE 283 Cb -0.28 -0.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 3gyr s PHE 283 CO 0.24 -0.04 -0.04 0.20 -0.10 0.00 0.00 175.22 175.49 3gyr s GLY 284 N -0.87 0.47 0.31 4.36 0.00 -1.26 -4.81 107.32 105.51 3gyr s GLY 284 Ca -0.04 -1.12 0.23 0.00 0.00 0.00 0.00 44.72 43.80 3gyr s GLY 284 CO 0.00 -1.22 1.44 -0.56 0.00 0.00 0.00 173.10 172.76 3gyr h PRO 285 N 3.40 0.00 -5.60 2.90 0.13 -1.63 -3.40 132.00 127.80 3gyr h PRO 285 Ca -0.34 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.14 3gyr h PRO 285 Cb 1.16 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 3gyr h PRO 285 CO 0.61 0.00 -0.51 0.71 -0.23 0.00 0.00 178.00 178.59 3gyr s TYR 286 N -3.24 3.49 -0.31 1.56 1.51 -0.67 -4.39 117.35 115.31 3gyr s TYR 286 Ca 0.05 0.42 -0.09 0.00 -1.01 0.00 0.00 57.07 56.44 3gyr s TYR 286 Cb 0.08 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 3gyr s TYR 286 CO 0.70 0.59 0.15 0.99 -1.11 0.00 0.00 175.55 176.87 3gyr s THR 287 N -0.69 4.58 -0.04 -0.71 2.01 -1.26 0.14 115.64 119.66 3gyr s THR 287 Ca 0.13 -0.41 -0.17 0.00 0.31 0.00 0.00 61.69 61.54 3gyr s THR 287 Cb -0.12 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 3gyr s THR 287 CO 0.03 0.08 0.48 0.42 -0.69 0.00 0.00 174.62 174.94 3gyr s THR 288 N 1.61 5.05 -0.22 -0.82 -4.23 0.07 -1.65 115.64 115.45 3gyr s THR 288 Ca 0.05 0.98 -0.00 0.00 -1.18 0.00 0.00 61.69 61.54 3gyr s THR 288 Cb -0.17 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 69.89 3gyr s THR 288 CO 0.06 0.45 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.77 3gyr s VAL 289 N -0.22 2.50 -1.45 2.29 1.01 0.87 -0.74 120.40 124.67 3gyr s VAL 289 Ca 0.26 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 3gyr s VAL 289 Cb -0.17 -2.21 0.05 0.00 0.00 0.00 0.00 36.38 34.06 3gyr s VAL 289 CO 0.13 0.32 0.91 0.59 0.00 0.00 0.00 175.10 177.05 3gyr n ASN 290 N 4.63 -3.73 -0.26 3.32 3.02 -0.22 -2.11 115.26 119.91 3gyr n ASN 290 Ca -0.18 -0.78 -0.03 0.00 -0.03 0.00 0.00 54.58 53.56 3gyr n ASN 290 Cb 0.48 -4.02 -0.01 0.00 -0.61 0.00 0.00 39.78 35.62 3gyr n ASN 290 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gyr n GLY 291 N -1.68 0.62 3.12 7.41 0.00 -1.26 -4.46 105.19 108.94 3gyr n GLY 291 Ca -0.07 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 3gyr n GLY 291 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 292 N -1.62 1.69 -0.01 1.61 0.52 -0.90 -4.49 118.95 115.75 3gyr s ARG 292 Ca 0.00 -0.57 -0.30 0.00 -0.52 0.00 0.00 55.73 54.34 3gyr s ARG 292 Cb 0.00 -1.47 -0.05 0.00 0.52 0.00 0.00 34.95 33.95 3gyr s ARG 292 CO 0.00 0.22 1.40 0.42 0.02 0.00 0.00 175.30 177.36 3gyr s ILE 293 N 0.07 3.75 -1.19 1.52 1.01 0.14 -0.09 121.20 126.41 3gyr s ILE 293 Ca -0.04 1.11 -0.29 0.00 0.00 0.00 0.00 60.65 61.43 3gyr s ILE 293 Cb -0.11 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.67 3gyr s ILE 293 CO 0.02 -0.01 0.71 0.79 0.00 0.00 0.00 174.94 176.45 3gyr n TRP 294 N 5.51 -1.57 -1.87 3.97 8.01 -0.66 -4.74 117.44 126.08 3gyr n TRP 294 Ca 0.13 0.21 -0.30 0.00 -1.31 0.00 0.00 57.50 56.23 3gyr n TRP 294 Cb 0.44 -3.02 0.03 0.00 -2.01 0.00 0.00 31.31 26.75 3gyr n TRP 294 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 3gyr s PRO 295 N -6.92 3.13 0.07 -0.99 0.04 -1.26 -0.59 135.00 128.48 3gyr s PRO 295 Ca 0.48 0.58 0.05 0.00 0.04 0.00 0.00 61.00 62.15 3gyr s PRO 295 Cb -0.23 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3gyr s PRO 295 CO 0.93 -0.87 -0.04 1.52 0.04 0.00 0.00 177.00 178.59 3gyr s TYR 296 N -3.29 2.91 -0.15 0.56 -0.85 -0.71 -2.08 117.35 113.75 3gyr s TYR 296 Ca 0.57 -0.05 0.01 0.00 -0.52 0.00 0.00 57.07 57.07 3gyr s TYR 296 Cb -0.11 -1.53 0.02 0.00 0.38 0.00 0.00 41.96 40.72 3gyr s TYR 296 CO 0.53 0.45 -0.16 0.00 -1.52 0.00 0.00 175.55 174.84 3gyr s ALA 297 N -1.22 1.96 -0.01 9.51 0.00 0.67 0.34 121.76 133.01 3gyr s ALA 297 Ca 0.23 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 3gyr s ALA 297 Cb -0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 3gyr s ALA 297 CO 0.15 -0.28 1.24 -0.51 0.00 0.00 0.00 175.76 176.36 3gyr s ASP 298 N 1.28 7.02 0.10 0.00 1.01 -1.26 -0.64 116.67 124.18 3gyr s ASP 298 Ca 0.01 1.94 0.02 0.00 0.71 0.00 0.00 52.55 55.24 3gyr s ASP 298 Cb -0.14 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 3gyr s ASP 298 CO -0.08 -0.57 -0.07 0.68 0.21 0.00 0.00 175.17 175.33 3gyr s VAL 299 N 1.85 0.78 0.51 -1.27 -7.23 0.49 -4.89 120.40 110.63 3gyr s VAL 299 Ca 0.58 -1.90 -0.05 0.00 -1.81 0.00 0.00 61.98 58.80 3gyr s VAL 299 Cb -0.28 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 3gyr s VAL 299 CO 0.25 -0.81 0.81 -1.81 -0.31 0.00 0.00 175.10 173.22 3gyr s ASP 300 N -2.97 6.08 -1.48 4.85 1.01 -1.26 0.97 116.67 123.87 3gyr s ASP 300 Ca 0.11 0.85 -0.09 0.00 0.71 0.00 0.00 52.55 54.13 3gyr s ASP 300 Cb 0.04 -2.09 -0.08 0.00 1.01 0.00 0.00 42.92 41.80 3gyr s ASP 300 CO -0.03 -0.70 2.80 -0.90 0.21 0.00 0.00 175.17 176.55 3gyr n ASP 301 N -2.33 8.01 -1.49 0.27 5.75 -0.94 -4.72 116.55 121.11 3gyr n ASP 301 Ca 0.01 -2.52 -0.03 0.00 -0.01 0.00 0.00 54.79 52.24 3gyr n ASP 301 Cb 0.56 -1.47 -0.01 0.00 -1.03 0.00 0.00 41.12 39.17 3gyr n ASP 301 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gyr n GLY 302 N 3.61 3.90 3.75 6.12 0.00 -1.26 -3.84 105.19 117.47 3gyr n GLY 302 Ca 0.72 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 3gyr n GLY 302 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gyr s TRP 303 N -2.07 3.62 0.07 1.61 0.52 -1.26 -2.09 118.94 119.33 3gyr s TRP 303 Ca 0.05 1.70 0.06 0.00 0.02 0.00 0.00 56.10 57.93 3gyr s TRP 303 Cb 0.00 -3.26 -0.03 0.00 -1.15 0.00 0.00 33.47 29.04 3gyr s TRP 303 CO 0.04 -0.48 -0.16 0.71 0.02 0.00 0.00 176.95 177.08 3gyr s TYR 304 N -0.96 1.39 -0.15 -1.98 1.51 -0.16 -4.84 117.35 112.16 3gyr s TYR 304 Ca 0.45 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 56.09 3gyr s TYR 304 Cb -0.31 -0.79 -0.01 0.00 -0.11 0.00 0.00 41.96 40.74 3gyr s TYR 304 CO 0.39 0.09 -0.13 0.50 -1.11 0.00 0.00 175.55 175.29 3gyr s ARG 305 N -1.58 3.32 -0.13 -0.62 3.52 0.96 -0.10 118.95 124.30 3gyr s ARG 305 Ca 0.01 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 3gyr s ARG 305 Cb -0.09 -2.68 -0.01 0.00 -1.56 0.00 0.00 34.95 30.61 3gyr s ARG 305 CO 0.02 0.08 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.92 3gyr s LEU 306 N 0.68 2.46 -0.80 -0.88 1.43 0.44 0.53 118.68 122.55 3gyr s LEU 306 Ca -0.06 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 3gyr s LEU 306 Cb -0.15 -1.54 0.21 0.00 0.03 0.00 0.00 46.19 44.73 3gyr s LEU 306 CO 0.02 0.13 0.71 -0.13 0.23 0.00 0.00 176.35 177.30 3gyr s ARG 307 N 0.57 3.39 -0.22 1.70 1.81 -0.53 -0.93 118.95 124.74 3gyr s ARG 307 Ca -0.10 -2.53 -0.15 0.00 -1.72 0.00 0.00 55.73 51.24 3gyr s ARG 307 Cb -0.16 -4.27 -0.04 0.00 -0.45 0.00 0.00 34.95 30.03 3gyr s ARG 307 CO 0.04 -1.26 0.34 -1.17 -0.68 0.00 0.00 175.30 172.57 3gyr s LEU 308 N 0.02 4.13 -0.02 2.53 2.96 0.04 -0.48 118.68 127.86 3gyr s LEU 308 Ca 0.18 0.40 0.04 0.00 -0.22 0.00 0.00 54.13 54.53 3gyr s LEU 308 Cb -0.12 -2.41 -0.00 0.00 0.50 0.00 0.00 46.19 44.15 3gyr s LEU 308 CO -0.08 -0.06 -0.13 0.54 -1.32 0.00 0.00 176.35 175.30 3gyr s VAL 309 N 1.36 1.08 -0.44 1.68 0.11 -0.63 -0.52 120.40 123.04 3gyr s VAL 309 Ca 0.16 -0.55 -0.22 0.00 -2.93 0.00 0.00 61.98 58.44 3gyr s VAL 309 Cb -0.15 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 33.80 3gyr s VAL 309 CO 0.07 0.31 0.73 0.21 -3.33 0.00 0.00 175.10 173.10 3gyr s ASN 310 N -0.08 6.38 -0.03 3.54 3.84 -1.18 -1.95 114.94 125.46 3gyr s ASN 310 Ca 0.01 -0.17 0.19 0.00 0.21 0.00 0.00 52.86 53.10 3gyr s ASN 310 Cb -0.08 -2.36 0.61 0.00 -0.55 0.00 0.00 41.25 38.87 3gyr s ASN 310 CO 0.00 -0.85 1.51 0.00 -2.79 0.00 0.00 177.10 174.97 3gyr n ALA 311 N 6.52 2.59 -1.74 1.71 0.00 0.19 -0.45 120.51 129.33 3gyr n ALA 311 Ca 0.01 -1.25 -0.37 0.00 0.00 0.00 0.00 53.44 51.83 3gyr n ALA 311 Cb 0.48 -0.97 0.05 0.00 0.00 0.00 0.00 19.45 19.01 3gyr n ALA 311 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gyr s SER 312 N -0.96 4.92 0.25 0.00 0.01 -1.23 -4.88 113.70 111.82 3gyr s SER 312 Ca 0.45 2.52 -0.03 0.00 1.31 0.00 0.00 55.95 60.21 3gyr s SER 312 Cb 0.25 -2.61 0.47 0.00 0.21 0.00 0.00 66.02 64.34 3gyr s SER 312 CO 0.28 -1.78 1.78 0.78 0.41 0.00 0.00 173.24 174.71 3gyr h ASN 313 N 0.76 0.57 0.00 2.44 4.21 -1.88 -3.43 115.58 118.26 3gyr h ASN 313 Ca -0.51 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.08 3gyr h ASN 313 Cb 1.32 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 3gyr h ASN 313 CO 0.54 0.28 0.00 0.00 -1.29 0.00 0.00 177.43 176.96 3gyr n ALA 314 N -2.41 0.14 -1.97 -0.83 0.00 -1.26 -1.14 120.51 113.05 3gyr n ALA 314 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 3gyr n ALA 314 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 3gyr n ALA 314 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3gyr s ARG 315 N -0.68 4.27 -0.29 0.00 3.52 -1.26 -4.74 118.95 119.77 3gyr s ARG 315 Ca 0.00 2.26 -0.19 0.00 -0.13 0.00 0.00 55.73 57.67 3gyr s ARG 315 Cb 0.00 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.21 3gyr s ARG 315 CO 0.00 -0.48 0.55 0.42 -0.81 0.00 0.00 175.30 174.98 3gyr s ILE 316 N 0.66 5.01 -0.07 4.11 1.01 -1.26 -4.05 121.20 126.61 3gyr s ILE 316 Ca 0.64 0.79 -0.26 0.00 0.00 0.00 0.00 60.65 61.82 3gyr s ILE 316 Cb -0.41 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 3gyr s ILE 316 CO 0.36 -0.04 0.83 -0.31 0.00 0.00 0.00 174.94 175.78 3gyr s TYR 317 N 2.43 3.56 -0.62 3.97 2.02 -0.61 -4.91 117.35 123.19 3gyr s TYR 317 Ca 0.22 1.40 -0.10 0.00 -0.37 0.00 0.00 57.07 58.23 3gyr s TYR 317 Cb -0.15 -2.97 0.16 0.00 -0.40 0.00 0.00 41.96 38.60 3gyr s TYR 317 CO 0.11 -0.04 0.51 -0.80 -1.57 0.00 0.00 175.55 173.76 3gyr s ASN 318 N 0.96 5.96 0.26 2.29 -0.87 -1.26 -0.16 114.94 122.12 3gyr s ASN 318 Ca 0.43 -2.37 -0.21 0.00 -1.57 0.00 0.00 52.86 49.14 3gyr s ASN 318 Cb -0.18 -2.05 -0.09 0.00 -0.02 0.00 0.00 41.25 38.90 3gyr s ASN 318 CO 0.20 -0.60 0.79 -0.76 -2.57 0.00 0.00 177.10 174.16 3gyr s LEU 319 N 0.68 4.33 -0.03 0.60 1.43 0.73 -0.12 118.68 126.30 3gyr s LEU 319 Ca 0.12 1.54 -0.02 0.00 -1.03 0.00 0.00 54.13 54.74 3gyr s LEU 319 Cb -0.20 -3.74 0.02 0.00 0.03 0.00 0.00 46.19 42.30 3gyr s LEU 319 CO -0.03 -0.01 0.07 -0.69 0.23 0.00 0.00 176.35 175.92 3gyr s VAL 320 N -1.57 -0.03 -0.19 -1.59 1.01 -0.74 -1.16 120.40 116.12 3gyr s VAL 320 Ca 0.46 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.35 3gyr s VAL 320 Cb -0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 3gyr s VAL 320 CO 0.21 0.04 0.52 -0.22 0.00 0.00 0.00 175.10 175.66 3gyr s LEU 321 N 0.60 4.16 0.25 3.92 2.96 -1.26 -1.17 118.68 128.13 3gyr s LEU 321 Ca -0.05 0.70 0.07 0.00 -0.22 0.00 0.00 54.13 54.63 3gyr s LEU 321 Cb -0.07 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 43.85 3gyr s LEU 321 CO -0.02 -0.17 -0.08 0.27 -1.32 0.00 0.00 176.35 175.02 3gyr s ILE 322 N 1.58 1.59 0.00 6.68 -4.36 -0.14 -1.30 121.20 125.25 3gyr s ILE 322 Ca 0.25 -2.14 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 3gyr s ILE 322 Cb -0.15 -2.29 0.00 0.00 1.25 0.00 0.00 42.46 41.27 3gyr s ILE 322 CO 0.10 -0.41 0.00 -0.90 0.24 0.00 0.00 174.94 173.97 3gyr n ASP 323 N -0.49 0.36 0.22 4.36 5.75 -0.51 -0.78 116.55 125.46 3gyr n ASP 323 Ca -0.06 -0.16 0.10 0.00 -0.01 0.00 0.00 54.79 54.66 3gyr n ASP 323 Cb 0.62 0.00 0.50 0.00 -1.03 0.00 0.00 41.12 41.21 3gyr n ASP 323 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3gyr h GLU 324 N 0.00 0.00 -0.67 0.11 3.07 -1.90 -1.69 114.58 113.51 3gyr h GLU 324 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gyr h GLU 324 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3gyr h GLU 324 CO 0.00 0.23 0.00 -0.25 -1.40 0.00 0.00 179.01 177.59 3gyr n ASP 325 N -3.48 3.63 0.00 1.42 9.92 -1.26 -4.92 116.55 121.86 3gyr n ASP 325 Ca -0.00 -2.00 0.00 0.00 -0.53 0.00 0.00 54.79 52.26 3gyr n ASP 325 Cb 0.40 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 3gyr n ASP 325 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3gyr n ASP 326 N 1.49 -3.49 -4.71 -2.24 9.92 -0.64 -5.00 116.55 111.89 3gyr n ASP 326 Ca 0.23 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.07 3gyr n ASP 326 Cb 0.57 -0.99 -0.03 0.00 -0.64 0.00 0.00 41.12 40.03 3gyr n ASP 326 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3gyr s ARG 327 N -0.33 4.49 0.42 -1.24 3.52 -1.26 -4.71 118.95 119.84 3gyr s ARG 327 Ca 0.00 1.61 -0.26 0.00 -0.13 0.00 0.00 55.73 56.95 3gyr s ARG 327 Cb 0.00 -3.40 -0.09 0.00 -1.56 0.00 0.00 34.95 29.91 3gyr s ARG 327 CO 0.00 -0.16 1.37 -2.14 -0.81 0.00 0.00 175.30 173.56 3gyr s PRO 328 N 1.03 3.85 -0.44 5.12 0.02 -1.26 -1.43 135.00 141.89 3gyr s PRO 328 Ca 0.56 2.29 -0.11 0.00 0.02 0.00 0.00 61.00 63.76 3gyr s PRO 328 Cb -0.26 -2.73 0.08 0.00 0.02 0.00 0.00 34.50 31.62 3gyr s PRO 328 CO 0.29 -0.63 0.31 0.08 -0.33 0.00 0.00 177.00 176.72 3gyr s VAL 329 N -1.23 4.53 0.59 3.83 1.01 -0.42 -4.89 120.40 123.83 3gyr s VAL 329 Ca 0.58 -1.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 3gyr s VAL 329 Cb -0.41 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.21 3gyr s VAL 329 CO 0.53 -0.57 0.88 -2.16 0.00 0.00 0.00 175.10 173.78 3gyr s PRO 330 N 1.48 2.79 -0.94 2.72 0.04 -1.26 -4.43 135.00 135.40 3gyr s PRO 330 Ca 0.04 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.91 3gyr s PRO 330 Cb -0.24 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 31.99 3gyr s PRO 330 CO 0.03 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.75 3gyr n GLY 331 N -2.56 1.01 0.00 0.56 0.00 -1.26 -4.82 105.19 98.13 3gyr n GLY 331 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3gyr n GLY 331 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gyr n VAL 332 N -2.81 0.00 -3.65 1.61 0.31 -1.26 -4.90 118.33 107.63 3gyr n VAL 332 Ca -0.09 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.87 3gyr n VAL 332 Cb 0.31 -0.41 -0.07 0.00 -0.91 0.00 0.00 33.84 32.76 3gyr n VAL 332 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3gyr s VAL 333 N -1.70 5.33 -0.06 2.52 1.01 -1.26 -0.70 120.40 125.54 3gyr s VAL 333 Ca 0.00 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.44 3gyr s VAL 333 Cb 0.00 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3gyr s VAL 333 CO 0.00 0.49 -0.06 -1.00 0.00 0.00 0.00 175.10 174.54 3gyr s HIS 334 N -0.24 0.96 0.05 5.22 0.09 -0.07 -1.59 115.29 119.71 3gyr s HIS 334 Ca 0.16 -0.32 -0.28 0.00 -0.00 0.00 0.00 55.06 54.61 3gyr s HIS 334 Cb -0.13 -0.82 -0.05 0.00 -0.00 0.00 0.00 32.58 31.58 3gyr s HIS 334 CO 0.05 -0.26 0.91 -1.14 -0.00 0.00 0.00 174.74 174.30 3gyr s GLN 335 N 1.05 4.60 0.00 1.40 0.74 0.67 -0.02 119.66 128.10 3gyr s GLN 335 Ca -0.09 1.32 0.00 0.00 0.05 0.00 0.00 55.36 56.65 3gyr s GLN 335 Cb -0.14 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 30.56 3gyr s GLN 335 CO -0.01 0.14 0.24 0.44 -0.55 0.00 0.00 175.29 175.56 3gyr n ILE 336 N 3.20 0.00 -3.72 -2.34 -5.35 0.93 -1.23 119.36 110.84 3gyr n ILE 336 Ca 0.02 -0.35 -0.10 0.00 -0.27 0.00 0.00 62.75 62.05 3gyr n ILE 336 Cb 0.50 1.20 -0.04 0.00 -1.74 0.00 0.00 39.64 39.56 3gyr n ILE 336 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3gyr s GLY 337 N -0.22 -0.10 0.00 3.28 0.00 -1.14 -0.41 107.32 108.72 3gyr s GLY 337 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.50 3gyr s GLY 337 CO 0.00 -0.32 0.00 -1.14 0.00 0.00 0.00 173.10 171.64 3gyr n SER 338 N -0.30 0.05 -0.30 1.64 3.41 0.69 -2.58 113.62 116.23 3gyr n SER 338 Ca -0.12 -0.69 -0.01 0.00 -0.26 0.00 0.00 58.87 57.79 3gyr n SER 338 Cb 0.63 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.61 3gyr n SER 338 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gyr n ASP 339 N -2.05 -0.50 -1.14 4.04 8.00 -1.21 -2.00 116.55 121.69 3gyr n ASP 339 Ca 0.00 1.36 0.10 0.00 0.71 0.00 0.00 54.79 56.95 3gyr n ASP 339 Cb 0.00 -0.31 0.27 0.00 -0.02 0.00 0.00 41.12 41.06 3gyr n ASP 339 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gyr n GLY 340 N -1.37 2.61 0.00 0.44 0.00 -0.85 -4.39 105.19 101.63 3gyr n GLY 340 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3gyr n GLY 340 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyr n GLY 341 N 1.26 0.96 3.72 -0.02 0.00 -0.85 -4.76 105.19 105.51 3gyr n GLY 341 Ca 0.21 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 3gyr n GLY 341 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gyr n LEU 342 N 0.00 3.93 -4.76 0.99 4.77 -1.26 -0.23 117.00 120.44 3gyr n LEU 342 Ca 0.00 1.16 -0.31 0.00 -0.03 0.00 0.00 56.01 56.83 3gyr n LEU 342 Cb 0.00 -1.53 0.09 0.00 -2.33 0.00 0.00 43.42 39.65 3gyr n LEU 342 CO 0.00 -0.11 0.70 -0.76 -1.33 0.00 0.00 177.39 175.89 3gyr s LEU 343 N -0.48 3.04 0.26 2.23 1.43 0.45 -4.73 118.68 120.88 3gyr s LEU 343 Ca 0.64 1.84 -0.02 0.00 -1.03 0.00 0.00 54.13 55.56 3gyr s LEU 343 Cb -0.55 -4.52 0.32 0.00 0.03 0.00 0.00 46.19 41.47 3gyr s LEU 343 CO 0.51 -2.06 1.75 1.55 0.23 0.00 0.00 176.35 178.34 3gyr h PRO 344 N -1.10 0.80 -5.15 1.29 0.13 -1.88 -3.31 132.00 122.77 3gyr h PRO 344 Ca -0.44 -0.22 -0.38 0.00 -0.87 0.00 0.00 66.00 64.10 3gyr h PRO 344 Cb 1.23 -0.09 -0.21 0.00 0.13 0.00 0.00 31.00 32.06 3gyr h PRO 344 CO 0.51 0.81 -0.77 1.03 -0.23 0.00 0.00 178.00 179.35 3gyr s ARG 345 N -4.97 0.76 0.39 0.86 0.52 -1.26 -0.77 118.95 114.48 3gyr s ARG 345 Ca -0.09 -0.93 -0.27 0.00 -0.52 0.00 0.00 55.73 53.91 3gyr s ARG 345 Cb 0.15 -0.69 -0.10 0.00 0.52 0.00 0.00 34.95 34.82 3gyr s ARG 345 CO 0.81 0.15 1.48 -2.14 0.02 0.00 0.00 175.30 175.62 3gyr s PRO 346 N -1.77 4.02 -0.22 3.54 0.02 -1.26 -4.87 135.00 134.46 3gyr s PRO 346 Ca -0.03 2.56 -0.02 0.00 0.02 0.00 0.00 61.00 63.52 3gyr s PRO 346 Cb -0.10 -2.90 0.01 0.00 0.02 0.00 0.00 34.50 31.53 3gyr s PRO 346 CO 0.02 -0.60 -0.08 0.08 -0.33 0.00 0.00 177.00 176.08 3gyr s VAL 347 N -1.14 2.98 0.30 3.83 1.01 -0.37 -4.95 120.40 122.06 3gyr s VAL 347 Ca 0.54 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 3gyr s VAL 347 Cb -0.46 -2.37 -0.10 0.00 0.00 0.00 0.00 36.38 33.45 3gyr s VAL 347 CO 0.62 0.40 1.31 -2.16 0.00 0.00 0.00 175.10 175.27 3gyr s PRO 348 N 1.41 4.37 -0.43 2.72 0.04 -1.26 -0.23 135.00 141.61 3gyr s PRO 348 Ca 0.05 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.28 3gyr s PRO 348 Cb -0.14 -3.10 0.12 0.00 0.04 0.00 0.00 34.50 31.41 3gyr s PRO 348 CO -0.06 -0.19 0.17 0.08 0.04 0.00 0.00 177.00 177.04 3gyr s VAL 349 N -0.80 2.61 -1.98 -0.36 1.01 -0.62 -4.87 120.40 115.39 3gyr s VAL 349 Ca 0.51 -2.70 0.17 0.00 0.00 0.00 0.00 61.98 59.96 3gyr s VAL 349 Cb -0.39 -2.85 0.11 0.00 0.00 0.00 0.00 36.38 33.25 3gyr s VAL 349 CO 0.48 -0.70 1.00 0.47 0.00 0.00 0.00 175.10 176.35 3gyr n ASP 350 N 3.84 2.25 -3.82 3.32 8.00 -1.26 -4.18 116.55 124.70 3gyr n ASP 350 Ca 0.04 -1.63 -0.27 0.00 0.71 0.00 0.00 54.79 53.64 3gyr n ASP 350 Cb 0.38 0.09 0.04 0.00 -0.02 0.00 0.00 41.12 41.61 3gyr n ASP 350 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gyr n PHE 351 N 0.74 -2.32 0.00 1.24 3.01 -0.63 -4.27 117.46 115.24 3gyr n PHE 351 Ca 0.09 0.91 0.00 0.00 1.01 0.00 0.00 57.45 59.46 3gyr n PHE 351 Cb 0.40 -4.24 0.00 0.00 -0.01 0.00 0.00 39.48 35.64 3gyr n PHE 351 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3gyr n ASP 352 N -2.91 0.00 0.00 4.37 3.85 -1.18 -4.75 116.55 115.93 3gyr n ASP 352 Ca -0.03 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.05 3gyr n ASP 352 Cb 0.56 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.33 3gyr n ASP 352 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3gyr n ASP 353 N 0.00 3.24 0.30 -1.12 8.00 -1.26 -3.90 116.55 121.82 3gyr n ASP 353 Ca 0.00 0.00 0.19 0.00 0.71 0.00 0.00 54.79 55.69 3gyr n ASP 353 Cb 0.00 0.60 0.93 0.00 -0.02 0.00 0.00 41.12 42.64 3gyr n ASP 353 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3gyr h THR 354 N 0.00 0.13 -0.34 -3.53 2.02 -2.00 -3.39 112.91 105.80 3gyr h THR 354 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3gyr h THR 354 Cb 0.09 1.25 -0.16 0.00 -1.74 0.00 0.00 68.15 67.59 3gyr h THR 354 CO 0.00 0.02 -0.19 -0.22 0.37 0.00 0.00 175.52 175.51 3gyr s LEU 355 N -6.43 -0.49 0.28 2.58 2.96 -1.26 -4.85 118.68 111.47 3gyr s LEU 355 Ca -0.02 -0.53 0.08 0.00 -0.22 0.00 0.00 54.13 53.43 3gyr s LEU 355 Cb 0.12 0.64 0.41 0.00 0.50 0.00 0.00 46.19 47.86 3gyr s LEU 355 CO 0.49 -0.02 1.66 1.55 -1.32 0.00 0.00 176.35 178.71 3gyr h PRO 356 N 4.59 0.16 -5.21 0.98 0.13 -1.78 -1.64 132.00 129.22 3gyr h PRO 356 Ca 0.00 -0.09 -0.38 0.00 -0.87 0.00 0.00 66.00 64.66 3gyr h PRO 356 Cb 1.17 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 32.10 3gyr h PRO 356 CO -0.08 0.63 -0.77 0.14 -0.23 0.00 0.00 178.00 177.69 3gyr s VAL 357 N -3.93 1.05 -0.38 1.56 -7.23 -1.26 -4.36 120.40 105.85 3gyr s VAL 357 Ca -0.03 -1.37 -0.25 0.00 -1.81 0.00 0.00 61.98 58.51 3gyr s VAL 357 Cb 0.13 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 35.98 3gyr s VAL 357 CO 0.77 -0.31 0.89 -0.22 -0.31 0.00 0.00 175.10 175.92 3gyr s LEU 358 N -1.90 4.03 -0.46 1.32 2.96 -0.31 -4.87 118.68 119.47 3gyr s LEU 358 Ca -0.01 0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 54.19 3gyr s LEU 358 Cb -0.08 -3.19 0.04 0.00 0.50 0.00 0.00 46.19 43.46 3gyr s LEU 358 CO 0.02 -0.84 0.52 -0.55 -1.32 0.00 0.00 176.35 174.18 3gyr s SER 359 N 1.91 6.22 -0.47 3.68 0.15 -1.26 -0.19 113.70 123.73 3gyr s SER 359 Ca 0.36 -0.79 -0.05 0.00 0.70 0.00 0.00 55.95 56.18 3gyr s SER 359 Cb -0.12 -2.25 0.12 0.00 -1.71 0.00 0.00 66.02 62.06 3gyr s SER 359 CO 0.19 -0.72 0.29 0.00 1.20 0.00 0.00 173.24 174.20 3gyr s ALA 360 N 2.34 3.31 0.67 5.45 0.00 0.77 -4.97 121.76 129.32 3gyr s ALA 360 Ca 0.14 -2.68 -0.11 0.00 0.00 0.00 0.00 51.96 49.30 3gyr s ALA 360 Cb -0.18 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 3gyr s ALA 360 CO 0.13 -1.89 1.06 0.00 0.00 0.00 0.00 175.76 175.06 3gyr s ALA 361 N 0.97 2.97 0.09 0.00 0.00 -1.26 -1.57 121.76 122.95 3gyr s ALA 361 Ca 0.09 -0.21 -0.36 0.00 0.00 0.00 0.00 51.96 51.48 3gyr s ALA 361 Cb -0.23 -3.06 -0.16 0.00 0.00 0.00 0.00 23.12 19.67 3gyr s ALA 361 CO -0.03 -0.95 1.41 -2.30 0.00 0.00 0.00 175.76 173.89 3gyr n PRO 362 N -2.90 1.37 -0.96 0.00 -0.02 -1.26 -2.20 135.00 129.04 3gyr n PRO 362 Ca 0.06 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3gyr n PRO 362 Cb 0.56 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3gyr n PRO 362 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gyr n ALA 363 N 2.86 0.00 -2.02 3.55 0.00 0.40 -4.92 120.51 120.38 3gyr n ALA 363 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.31 3gyr n ALA 363 Cb 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 3gyr n ALA 363 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gyr s GLU 364 N -0.04 3.97 0.09 0.00 2.02 -0.93 -4.86 118.70 118.95 3gyr s GLU 364 Ca 0.00 0.76 0.10 0.00 0.02 0.00 0.00 54.97 55.85 3gyr s GLU 364 Cb 0.00 -2.31 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 3gyr s GLU 364 CO 0.00 -0.03 -0.25 1.03 0.02 0.00 0.00 175.26 176.03 3gyr s ARG 365 N -3.50 1.49 -0.11 1.61 0.52 -1.26 -3.13 118.95 114.57 3gyr s ARG 365 Ca 0.56 -1.21 -0.03 0.00 -0.52 0.00 0.00 55.73 54.53 3gyr s ARG 365 Cb -0.10 -1.82 0.04 0.00 0.52 0.00 0.00 34.95 33.59 3gyr s ARG 365 CO 0.23 0.45 0.05 -0.06 0.02 0.00 0.00 175.30 175.99 3gyr s PHE 366 N -0.97 0.42 -0.46 -0.53 0.08 0.32 -3.55 117.98 113.29 3gyr s PHE 366 Ca 0.12 -0.19 -0.20 0.00 0.12 0.00 0.00 56.93 56.78 3gyr s PHE 366 Cb -0.10 -0.71 0.03 0.00 -0.57 0.00 0.00 43.02 41.67 3gyr s PHE 366 CO 0.04 -0.38 0.61 0.34 -0.10 0.00 0.00 175.22 175.72 3gyr s ASP 367 N 2.06 6.27 -0.05 1.36 -1.08 -1.07 -0.78 116.67 123.37 3gyr s ASP 367 Ca 0.03 -0.58 0.06 0.00 -0.52 0.00 0.00 52.55 51.54 3gyr s ASP 367 Cb -0.14 -2.30 -0.01 0.00 -1.46 0.00 0.00 42.92 39.01 3gyr s ASP 367 CO -0.06 -0.79 -0.24 -0.76 0.52 0.00 0.00 175.17 173.84 3gyr s LEU 368 N 2.66 2.16 -0.09 -1.34 1.43 -0.10 -0.05 118.68 123.35 3gyr s LEU 368 Ca 0.18 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 3gyr s LEU 368 Cb -0.16 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 3gyr s LEU 368 CO 0.16 0.27 0.19 -0.76 0.23 0.00 0.00 176.35 176.43 3gyr s LEU 369 N -0.28 4.40 -0.14 1.79 1.43 0.97 -0.42 118.68 126.43 3gyr s LEU 369 Ca 0.00 0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 53.64 3gyr s LEU 369 Cb -0.13 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 43.91 3gyr s LEU 369 CO 0.03 0.38 -0.08 -0.69 0.23 0.00 0.00 176.35 176.21 3gyr s VAL 370 N -1.07 1.19 -0.83 -1.59 1.01 0.85 -0.89 120.40 119.06 3gyr s VAL 370 Ca 0.18 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 3gyr s VAL 370 Cb -0.13 -1.24 0.13 0.00 0.00 0.00 0.00 36.38 35.15 3gyr s VAL 370 CO 0.07 0.30 0.99 -0.62 0.00 0.00 0.00 175.10 175.84 3gyr s ASP 371 N 1.63 6.53 -0.06 3.32 2.15 0.12 -0.98 116.67 129.37 3gyr s ASP 371 Ca 0.03 -1.94 0.07 0.00 0.43 0.00 0.00 52.55 51.14 3gyr s ASP 371 Cb -0.14 -2.36 0.33 0.00 -0.30 0.00 0.00 42.92 40.46 3gyr s ASP 371 CO -0.09 -1.03 1.11 0.49 -0.17 0.00 0.00 175.17 175.48 3gyr n PHE 372 N 6.22 0.73 -0.15 -5.34 3.72 -0.89 -4.53 117.46 117.21 3gyr n PHE 372 Ca 0.14 -0.28 -0.02 0.00 -0.05 0.00 0.00 57.45 57.25 3gyr n PHE 372 Cb 0.47 -0.18 0.22 0.00 -0.94 0.00 0.00 39.48 39.05 3gyr n PHE 372 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gyr h ARG 373 N 1.78 0.87 -0.54 -1.08 3.08 -1.74 -2.59 114.38 114.16 3gyr h ARG 373 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3gyr h ARG 373 Cb 0.88 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3gyr h ARG 373 CO 0.14 0.70 0.00 0.00 -1.07 0.00 0.00 179.97 179.74 3gyr n ALA 374 N -2.45 2.64 -0.89 0.04 0.00 -1.26 -4.39 120.51 114.20 3gyr n ALA 374 Ca 0.05 -0.94 0.04 0.00 0.00 0.00 0.00 53.44 52.58 3gyr n ALA 374 Cb 0.16 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 18.67 3gyr n ALA 374 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gyr n LEU 375 N 0.82 1.46 -4.74 0.00 4.77 -0.97 -5.06 117.00 113.28 3gyr n LEU 375 Ca 0.17 -1.90 -0.39 0.00 -0.03 0.00 0.00 56.01 53.85 3gyr n LEU 375 Cb 0.51 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.48 3gyr n LEU 375 CO 0.13 0.45 0.98 0.61 -1.33 0.00 0.00 177.39 178.24 3gyr n GLY 376 N -0.67 0.77 2.65 -0.72 0.00 -1.26 -2.04 105.19 103.93 3gyr n GLY 376 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3gyr n GLY 376 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyr n GLY 377 N 0.73 0.80 3.64 -0.02 0.00 0.16 -4.77 105.19 105.73 3gyr n GLY 377 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3gyr n GLY 377 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 378 N -0.03 2.32 -0.18 1.61 1.81 -0.86 -4.93 118.95 118.68 3gyr s ARG 378 Ca 0.00 -1.17 -0.02 0.00 -1.72 0.00 0.00 55.73 52.82 3gyr s ARG 378 Cb 0.00 -2.30 -0.01 0.00 -0.45 0.00 0.00 34.95 32.19 3gyr s ARG 378 CO 0.00 0.44 -0.08 1.03 -0.68 0.00 0.00 175.30 176.01 3gyr s ARG 379 N -2.97 3.39 0.07 3.54 0.52 -1.26 -1.17 118.95 121.07 3gyr s ARG 379 Ca 0.27 -0.65 0.08 0.00 -0.52 0.00 0.00 55.73 54.92 3gyr s ARG 379 Cb -0.09 -2.83 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 3gyr s ARG 379 CO 0.18 0.01 -0.21 -0.51 0.02 0.00 0.00 175.30 174.78 3gyr s LEU 380 N 0.92 2.49 -0.06 2.53 1.43 -0.49 -3.68 118.68 121.83 3gyr s LEU 380 Ca -0.02 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.60 3gyr s LEU 380 Cb -0.15 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 3gyr s LEU 380 CO 0.00 0.23 -0.22 -0.13 0.23 0.00 0.00 176.35 176.46 3gyr s ARG 381 N -1.63 2.36 -0.01 1.70 0.52 0.03 0.14 118.95 122.07 3gyr s ARG 381 Ca 0.15 -0.80 -0.28 0.00 -0.52 0.00 0.00 55.73 54.27 3gyr s ARG 381 Cb -0.10 -1.98 -0.03 0.00 0.52 0.00 0.00 34.95 33.35 3gyr s ARG 381 CO 0.06 0.31 0.91 -1.17 0.02 0.00 0.00 175.30 175.42 3gyr s LEU 382 N -0.02 4.37 0.15 2.53 2.96 -0.23 -0.96 118.68 127.48 3gyr s LEU 382 Ca -0.06 1.55 0.05 0.00 -0.22 0.00 0.00 54.13 55.45 3gyr s LEU 382 Cb -0.14 -3.45 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 3gyr s LEU 382 CO 0.04 -0.21 -0.11 0.68 -1.32 0.00 0.00 176.35 175.43 3gyr s VAL 383 N 0.86 1.24 -0.21 1.68 -7.23 -0.32 -2.03 120.40 114.39 3gyr s VAL 383 Ca 0.48 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.54 3gyr s VAL 383 Cb -0.20 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 3gyr s VAL 383 CO 0.26 -0.67 0.15 -0.62 -0.31 0.00 0.00 175.10 173.90 3gyr s ASP 384 N -3.05 6.18 -0.24 4.85 2.15 0.12 -1.80 116.67 124.90 3gyr s ASP 384 Ca 0.16 0.20 -0.13 0.00 0.43 0.00 0.00 52.55 53.20 3gyr s ASP 384 Cb 0.01 -2.10 -0.04 0.00 -0.30 0.00 0.00 42.92 40.48 3gyr s ASP 384 CO 0.02 0.13 0.30 -0.75 -0.17 0.00 0.00 175.17 174.69 3gyr s LYS 385 N 0.64 4.08 0.48 4.34 2.20 0.83 -4.54 119.74 127.78 3gyr s LYS 385 Ca 0.08 -0.03 -0.19 0.00 -0.36 0.00 0.00 55.97 55.47 3gyr s LYS 385 Cb -0.12 -3.58 -0.09 0.00 -1.51 0.00 0.00 37.83 32.53 3gyr s LYS 385 CO 0.01 -0.07 0.99 0.20 -0.36 0.00 0.00 175.35 176.11 3gyr s GLY 386 N 1.25 2.33 0.64 5.54 0.00 -1.26 -4.66 107.32 111.16 3gyr s GLY 386 Ca 0.13 0.41 0.36 0.00 0.00 0.00 0.00 44.72 45.62 3gyr s GLY 386 CO 0.08 0.70 2.18 -0.56 0.00 0.00 0.00 173.10 175.50 3gyr h PRO 387 N 1.47 0.00 -0.20 2.90 0.13 -1.93 -3.17 132.00 131.21 3gyr h PRO 387 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3gyr h PRO 387 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3gyr h PRO 387 CO 0.60 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.78 3gyr n GLY 388 N -1.21 2.76 3.38 1.56 0.00 -1.26 -4.99 105.19 105.43 3gyr n GLY 388 Ca -0.02 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 3gyr n GLY 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyr s ALA 389 N -0.99 -1.25 0.58 4.61 0.00 -1.20 -5.04 121.76 118.47 3gyr s ALA 389 Ca 0.13 0.59 -0.20 0.00 0.00 0.00 0.00 51.96 52.48 3gyr s ALA 389 Cb 0.07 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 3gyr s ALA 389 CO 0.09 -0.46 1.16 -2.30 0.00 0.00 0.00 175.76 174.25 3gyr n PRO 390 N 0.56 1.22 -1.52 0.00 -0.02 -1.26 -4.42 135.00 129.56 3gyr n PRO 390 Ca -0.19 0.46 -0.51 0.00 -2.02 0.00 0.00 63.50 61.24 3gyr n PRO 390 Cb 0.59 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 3gyr n PRO 390 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gyr n ALA 391 N -1.45 -2.04 0.00 3.55 0.00 -1.26 -0.29 120.51 119.02 3gyr n ALA 391 Ca 0.13 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3gyr n ALA 391 Cb 0.46 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.05 3gyr n ALA 391 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gyr n GLY 392 N 1.86 2.51 3.70 0.00 0.00 -1.26 -4.93 105.19 107.08 3gyr n GLY 392 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3gyr n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gyr s THR 393 N -2.20 5.13 0.32 2.61 2.01 0.60 -4.88 115.64 119.24 3gyr s THR 393 Ca 0.00 1.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.78 3gyr s THR 393 Cb 0.00 -3.88 -0.12 0.00 0.01 0.00 0.00 72.50 68.51 3gyr s THR 393 CO 0.00 0.26 1.38 -2.65 -0.69 0.00 0.00 174.62 172.93 3gyr n PRO 394 N 4.03 2.26 -3.32 4.92 -0.02 -1.26 -4.75 135.00 136.86 3gyr n PRO 394 Ca -0.05 0.80 -0.25 0.00 -2.02 0.00 0.00 63.50 61.97 3gyr n PRO 394 Cb 0.51 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 31.47 3gyr n PRO 394 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3gyr n ASP 395 N 1.22 1.73 -0.35 2.55 2.03 0.16 -4.87 116.55 119.02 3gyr n ASP 395 Ca 0.06 -3.01 0.02 0.00 0.52 0.00 0.00 54.79 52.38 3gyr n ASP 395 Cb 0.35 -0.65 0.18 0.00 -0.72 0.00 0.00 41.12 40.28 3gyr n ASP 395 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3gyr h PRO 396 N 4.18 1.15 -0.13 -0.67 0.13 -1.84 0.13 132.00 134.95 3gyr h PRO 396 Ca 0.13 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 3gyr h PRO 396 Cb 0.79 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 3gyr h PRO 396 CO 0.62 0.76 -0.12 -0.07 -0.23 0.00 0.00 178.00 178.97 3gyr h LEU 397 N 1.18 0.18 -0.76 1.56 3.38 -1.92 -1.77 115.31 117.17 3gyr h LEU 397 Ca 0.40 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3gyr h LEU 397 Cb 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3gyr h LEU 397 CO -0.14 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.32 3gyr n GLY 398 N -0.96 -0.07 1.85 0.83 0.00 -0.56 -4.85 105.19 101.43 3gyr n GLY 398 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3gyr n GLY 398 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyr n GLY 399 N 0.91 0.47 2.37 -0.02 0.00 -0.66 -4.65 105.19 103.60 3gyr n GLY 399 Ca 0.10 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 3gyr n GLY 399 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gyr n VAL 400 N -2.93 0.52 -0.27 1.61 0.31 0.34 -4.91 118.33 113.00 3gyr n VAL 400 Ca 0.00 -4.44 0.05 0.00 -0.01 0.00 0.00 64.34 59.94 3gyr n VAL 400 Cb 0.00 -1.99 0.27 0.00 -0.91 0.00 0.00 33.84 31.21 3gyr n VAL 400 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3gyr h ARG 401 N 4.41 0.93 -3.59 5.55 2.43 -1.84 0.47 114.38 122.75 3gyr h ARG 401 Ca 0.15 -0.06 -0.62 0.00 -0.81 0.00 0.00 59.98 58.65 3gyr h ARG 401 Cb 0.80 -0.21 -0.40 0.00 -0.42 0.00 0.00 29.97 29.73 3gyr h ARG 401 CO 0.60 0.62 -0.73 0.71 -1.51 0.00 0.00 179.97 179.66 3gyr s TYR 402 N -5.84 2.41 0.37 2.20 4.12 -1.26 -4.37 117.35 114.97 3gyr s TYR 402 Ca -0.11 -2.41 0.13 0.00 0.02 0.00 0.00 57.07 54.70 3gyr s TYR 402 Cb 0.20 -2.16 0.95 0.00 -1.52 0.00 0.00 41.96 39.42 3gyr s TYR 402 CO 0.79 -0.85 1.81 -1.35 0.02 0.00 0.00 175.55 175.98 3gyr h PRO 403 N 7.34 0.53 -6.88 -1.71 0.11 -1.80 -3.45 132.00 126.15 3gyr h PRO 403 Ca -0.07 -0.03 -0.53 0.00 0.11 0.00 0.00 66.00 65.48 3gyr h PRO 403 Cb 0.97 -0.12 0.08 0.00 0.11 0.00 0.00 31.00 32.04 3gyr h PRO 403 CO 0.51 0.35 0.70 -1.83 -0.21 0.00 0.00 178.00 177.53 3gyr s GLU 404 N -5.60 4.27 0.03 1.05 1.03 -1.26 0.14 118.70 118.35 3gyr s GLU 404 Ca -0.09 2.34 -0.01 0.00 0.03 0.00 0.00 54.97 57.23 3gyr s GLU 404 Cb 0.24 -3.05 -0.00 0.00 -0.80 0.00 0.00 34.13 30.52 3gyr s GLU 404 CO 0.79 -0.33 -0.02 0.28 -1.33 0.00 0.00 175.26 174.65 3gyr n VAL 405 N 0.94 0.58 -3.67 1.83 0.31 -0.86 -4.59 118.33 112.86 3gyr n VAL 405 Ca 0.01 0.21 -0.09 0.00 -0.01 0.00 0.00 64.34 64.46 3gyr n VAL 405 Cb 0.41 -1.35 -0.02 0.00 -0.91 0.00 0.00 33.84 31.97 3gyr n VAL 405 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gyr s MET 406 N -1.51 1.57 -0.02 5.55 0.23 -1.15 -3.89 119.30 120.09 3gyr s MET 406 Ca -0.02 -0.77 0.07 0.00 -1.03 0.00 0.00 55.69 53.94 3gyr s MET 406 Cb 0.00 0.60 -0.02 0.00 -1.53 0.00 0.00 34.83 33.89 3gyr s MET 406 CO 0.03 -0.71 -0.22 -2.00 -2.03 0.00 0.00 175.02 170.08 3gyr s GLU 407 N -3.85 1.84 -0.18 3.16 2.12 -0.88 -1.06 118.70 119.85 3gyr s GLU 407 Ca 0.07 -0.79 -0.06 0.00 0.36 0.00 0.00 54.97 54.55 3gyr s GLU 407 Cb -0.04 -1.76 -0.03 0.00 0.26 0.00 0.00 34.13 32.56 3gyr s GLU 407 CO -0.01 0.46 0.02 -0.06 -0.54 0.00 0.00 175.26 175.13 3gyr s PHE 408 N -0.48 3.12 -0.35 5.30 0.40 0.37 -0.24 117.98 126.10 3gyr s PHE 408 Ca 0.07 -0.19 -0.06 0.00 -0.60 0.00 0.00 56.93 56.15 3gyr s PHE 408 Cb -0.09 -2.06 0.05 0.00 0.51 0.00 0.00 43.02 41.43 3gyr s PHE 408 CO -0.00 -0.03 0.13 1.03 0.70 0.00 0.00 175.22 177.05 3gyr s ARG 409 N 0.61 2.58 -0.38 0.44 0.52 0.19 -1.39 118.95 121.51 3gyr s ARG 409 Ca 0.01 -1.26 -0.23 0.00 -0.52 0.00 0.00 55.73 53.73 3gyr s ARG 409 Cb -0.14 -3.51 0.01 0.00 0.52 0.00 0.00 34.95 31.84 3gyr s ARG 409 CO 0.02 -0.73 0.75 0.08 0.02 0.00 0.00 175.30 175.45 3gyr s VAL 410 N 1.39 4.75 -0.04 3.52 1.01 -0.31 -0.38 120.40 130.33 3gyr s VAL 410 Ca -0.01 0.73 -0.29 0.00 0.00 0.00 0.00 61.98 62.41 3gyr s VAL 410 Cb -0.20 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 3gyr s VAL 410 CO 0.02 -0.47 0.96 -0.60 0.00 0.00 0.00 175.10 175.02 3gyr s ARG 411 N 3.06 4.51 -0.21 2.72 3.52 0.27 0.38 118.95 133.20 3gyr s ARG 411 Ca 0.30 1.36 -0.29 0.00 -0.13 0.00 0.00 55.73 56.97 3gyr s ARG 411 Cb -0.13 -3.48 0.01 0.00 -1.56 0.00 0.00 34.95 29.78 3gyr s ARG 411 CO 0.18 -0.12 1.01 -2.00 -0.81 0.00 0.00 175.30 173.56 3gyr s GLU 412 N 1.29 4.27 0.53 5.12 2.12 -1.26 -2.21 118.70 128.56 3gyr s GLU 412 Ca 0.50 1.32 0.05 0.00 0.36 0.00 0.00 54.97 57.20 3gyr s GLU 412 Cb -0.20 -3.63 0.03 0.00 0.26 0.00 0.00 34.13 30.59 3gyr s GLU 412 CO 0.24 -0.58 0.35 0.99 -0.54 0.00 0.00 175.26 175.73 3gyr s THR 413 N 3.00 1.65 -0.20 -1.70 2.01 -1.26 -4.97 115.64 114.17 3gyr s THR 413 Ca 0.44 -1.55 0.16 0.00 0.31 0.00 0.00 61.69 61.04 3gyr s THR 413 Cb -0.15 -2.20 0.56 0.00 0.01 0.00 0.00 72.50 70.71 3gyr s THR 413 CO 0.08 0.00 1.46 0.00 -0.69 0.00 0.00 174.62 175.47 3gyr s GLU 415 N -2.87 4.07 -0.21 0.00 2.02 -1.26 -5.06 118.70 115.39 3gyr s GLU 415 Ca 0.44 0.93 -0.05 0.00 0.02 0.00 0.00 54.97 56.31 3gyr s GLU 415 Cb 0.36 -2.23 -0.02 0.00 0.10 0.00 0.00 34.13 32.34 3gyr s GLU 415 CO 0.09 -0.07 -0.01 -1.21 0.02 0.00 0.00 175.26 174.08 3gyr s GLU 416 N -3.47 3.56 -0.36 1.61 0.41 -1.26 -5.05 118.70 114.13 3gyr s GLU 416 Ca 0.59 -0.55 -0.13 0.00 -0.41 0.00 0.00 54.97 54.48 3gyr s GLU 416 Cb -0.10 -3.08 0.00 0.00 -1.78 0.00 0.00 34.13 29.18 3gyr s GLU 416 CO 0.21 -0.05 0.24 0.34 -0.49 0.00 0.00 175.26 175.50 3gyr s ASP 417 N 1.16 5.93 -0.48 -0.19 -1.08 -1.26 -4.98 116.67 115.77 3gyr s ASP 417 Ca 0.03 -0.70 0.01 0.00 -0.52 0.00 0.00 52.55 51.36 3gyr s ASP 417 Cb -0.14 -2.10 0.46 0.00 -1.46 0.00 0.00 42.92 39.67 3gyr s ASP 417 CO 0.01 -0.33 1.91 -1.54 0.52 0.00 0.00 175.17 175.75 3gyr n SER 418 N 5.08 5.65 -4.74 -0.34 3.41 -1.26 -4.97 113.62 116.44 3gyr n SER 418 Ca -0.12 -3.46 -0.41 0.00 -0.26 0.00 0.00 58.87 54.62 3gyr n SER 418 Cb 0.48 -0.90 -0.05 0.00 -0.26 0.00 0.00 64.21 63.48 3gyr n SER 418 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3gyr s PHE 419 N -2.99 3.75 -0.15 7.33 5.36 -1.26 -5.03 117.98 124.98 3gyr s PHE 419 Ca 0.51 1.74 0.02 0.00 -0.96 0.00 0.00 56.93 58.24 3gyr s PHE 419 Cb 0.41 -3.14 0.01 0.00 -0.34 0.00 0.00 43.02 39.96 3gyr s PHE 419 CO 0.04 -0.11 -0.20 0.00 -1.46 0.00 0.00 175.22 173.48 3gyr s ALA 420 N -0.47 2.31 -0.42 11.12 0.00 -1.26 -5.08 121.76 127.95 3gyr s ALA 420 Ca 0.46 -1.13 -0.17 0.00 0.00 0.00 0.00 51.96 51.13 3gyr s ALA 420 Cb -0.27 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 21.79 3gyr s ALA 420 CO 0.33 -0.13 0.40 -1.17 0.00 0.00 0.00 175.76 175.19 3gyr s LEU 421 N 0.97 4.97 0.68 0.00 2.96 -1.26 -5.07 118.68 121.92 3gyr s LEU 421 Ca -0.03 -0.77 -0.11 0.00 -0.22 0.00 0.00 54.13 53.00 3gyr s LEU 421 Cb -0.15 -2.31 -0.00 0.00 0.50 0.00 0.00 46.19 44.23 3gyr s LEU 421 CO -0.05 -0.55 1.06 -2.16 -1.32 0.00 0.00 176.35 173.33 3gyr s PRO 422 N 1.99 3.05 0.07 0.98 0.04 -1.26 -4.97 135.00 134.90 3gyr s PRO 422 Ca 0.10 0.80 -0.15 0.00 0.04 0.00 0.00 61.00 61.79 3gyr s PRO 422 Cb -0.18 -2.01 -0.20 0.00 0.04 0.00 0.00 34.50 32.15 3gyr s PRO 422 CO 0.12 -0.98 1.22 0.93 0.04 0.00 0.00 177.00 178.33 3gyr h GLU 423 N -0.62 0.67 -5.85 4.56 4.39 -1.97 -3.40 114.58 112.35 3gyr h GLU 423 Ca -0.44 -0.63 -0.64 0.00 0.34 0.00 0.00 59.36 57.99 3gyr h GLU 423 Cb 1.21 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.96 3gyr h GLU 423 CO 0.60 1.23 -0.51 0.08 -1.16 0.00 0.00 179.01 179.25 3gyr s VAL 424 N -3.49 5.29 -0.02 3.13 1.01 -1.26 -4.27 120.40 120.78 3gyr s VAL 424 Ca -0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 3gyr s VAL 424 Cb 0.07 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3gyr s VAL 424 CO 0.89 0.32 -0.02 -0.11 0.00 0.00 0.00 175.10 176.18 3gyr n LEU 425 N 0.95 1.80 -4.16 3.92 7.94 0.05 -4.96 117.00 122.54 3gyr n LEU 425 Ca -0.11 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.46 3gyr n LEU 425 Cb 0.52 -0.07 -0.16 0.00 0.53 0.00 0.00 43.42 44.25 3gyr n LEU 425 CO 0.43 0.33 -0.51 -0.55 -1.11 0.00 0.00 177.39 175.98 3gyr s SER 426 N -4.61 3.31 0.16 1.96 0.15 -1.14 -4.98 113.70 108.54 3gyr s SER 426 Ca -0.03 -0.60 0.25 0.00 0.70 0.00 0.00 55.95 56.28 3gyr s SER 426 Cb 0.01 -1.51 0.57 0.00 -1.71 0.00 0.00 66.02 63.38 3gyr s SER 426 CO 0.04 0.02 1.54 0.61 1.20 0.00 0.00 173.24 176.65 3gyr n GLY 427 N 4.49 -1.55 0.15 9.45 0.00 -1.26 -3.85 105.19 112.61 3gyr n GLY 427 Ca -0.20 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.70 3gyr n GLY 427 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gyr h SER 428 N 0.00 0.00 -3.17 1.61 4.64 -2.00 -3.47 113.55 111.16 3gyr h SER 428 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 3gyr h SER 428 Cb 0.74 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.92 3gyr h SER 428 CO 0.00 0.51 0.77 0.33 -0.87 0.00 0.00 176.83 177.57 3gyr n PHE 429 N -3.32 2.64 -4.00 4.77 7.35 -1.25 -5.02 117.46 118.63 3gyr n PHE 429 Ca 0.01 0.34 -0.20 0.00 -0.76 0.00 0.00 57.45 56.84 3gyr n PHE 429 Cb 0.69 -2.54 -0.17 0.00 0.35 0.00 0.00 39.48 37.81 3gyr n PHE 429 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3gyr s ARG 430 N -0.73 0.68 0.18 -4.13 1.81 -1.26 -5.09 118.95 110.41 3gyr s ARG 430 Ca 0.63 -0.01 -0.33 0.00 -1.72 0.00 0.00 55.73 54.30 3gyr s ARG 430 Cb -0.54 -0.83 -0.14 0.00 -0.45 0.00 0.00 34.95 33.00 3gyr s ARG 430 CO 0.51 -0.16 1.58 -2.13 -0.68 0.00 0.00 175.30 174.42 3gyr n ARG 431 N 4.41 2.23 -1.83 3.54 3.00 -1.26 -4.94 116.66 121.81 3gyr n ARG 431 Ca -0.19 0.80 -0.42 0.00 -0.00 0.00 0.00 57.85 58.04 3gyr n ARG 431 Cb 0.50 -2.57 -0.03 0.00 0.00 0.00 0.00 32.46 30.36 3gyr n ARG 431 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3gyr s MET 432 N 0.78 4.17 -0.14 -0.14 -1.94 -1.26 -5.02 119.30 115.75 3gyr s MET 432 Ca 0.77 2.45 -0.13 0.00 -1.71 0.00 0.00 55.69 57.06 3gyr s MET 432 Cb -0.65 -3.64 -0.05 0.00 2.01 0.00 0.00 34.83 32.50 3gyr s MET 432 CO 0.38 -0.79 0.30 0.45 -0.01 0.00 0.00 175.02 175.35 3gyr s SER 433 N 2.67 6.47 0.64 3.03 0.15 -1.26 -4.95 113.70 120.44 3gyr s SER 433 Ca 0.77 0.55 0.25 0.00 0.70 0.00 0.00 55.95 58.23 3gyr s SER 433 Cb -0.42 -2.18 1.37 0.00 -1.71 0.00 0.00 66.02 63.08 3gyr s SER 433 CO 0.34 0.14 1.76 -0.74 1.20 0.00 0.00 173.24 175.95 3gyr h HIS 434 N 6.38 0.00 0.00 3.44 2.76 -2.02 -0.93 115.15 124.78 3gyr h HIS 434 Ca -0.43 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 3gyr h HIS 434 Cb 1.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.13 3gyr h HIS 434 CO 0.62 0.00 0.00 -0.25 -1.30 0.00 0.00 177.93 177.00 3gyr n ASP 435 N -2.77 0.24 -4.70 3.26 9.92 -1.26 -4.68 116.55 116.55 3gyr n ASP 435 Ca -0.02 0.55 -0.42 0.00 -0.53 0.00 0.00 54.79 54.37 3gyr n ASP 435 Cb 0.44 -0.60 -0.03 0.00 -0.64 0.00 0.00 41.12 40.29 3gyr n ASP 435 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3gyr s ILE 436 N -3.09 4.11 0.30 0.53 1.01 -0.36 -4.97 121.20 118.73 3gyr s ILE 436 Ca 0.07 1.47 -0.29 0.00 0.00 0.00 0.00 60.65 61.90 3gyr s ILE 436 Cb 0.11 -3.95 -0.13 0.00 0.01 0.00 0.00 42.46 38.50 3gyr s ILE 436 CO 0.35 0.04 1.35 -2.65 0.00 0.00 0.00 174.94 174.04 3gyr n PRO 437 N 4.77 2.14 -3.53 2.79 -0.02 -1.26 -4.98 135.00 134.90 3gyr n PRO 437 Ca 0.10 0.75 -0.17 0.00 -2.02 0.00 0.00 63.50 62.16 3gyr n PRO 437 Cb 0.46 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 3gyr n PRO 437 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3gyr s HIS 438 N -0.64 -0.62 0.87 6.00 -3.43 -1.26 -4.43 115.29 111.77 3gyr s HIS 438 Ca 0.61 1.05 -0.12 0.00 -0.80 0.00 0.00 55.06 55.79 3gyr s HIS 438 Cb -0.59 0.39 0.11 0.00 -1.43 0.00 0.00 32.58 31.07 3gyr s HIS 438 CO 0.57 -0.60 1.13 0.20 -2.00 0.00 0.00 174.74 174.04 3gyr s GLY 439 N -1.25 1.59 -0.03 -1.38 0.00 -0.70 -4.84 107.32 100.70 3gyr s GLY 439 Ca -0.11 -0.47 0.03 0.00 0.00 0.00 0.00 44.72 44.16 3gyr s GLY 439 CO 0.09 0.04 -0.10 0.30 0.00 0.00 0.00 173.10 173.43 3gyr s HIS 440 N -3.30 1.10 0.05 1.90 3.76 -1.26 -0.42 115.29 117.13 3gyr s HIS 440 Ca 0.63 -0.30 0.09 0.00 -0.15 0.00 0.00 55.06 55.33 3gyr s HIS 440 Cb -0.14 -0.79 -0.03 0.00 1.11 0.00 0.00 32.58 32.73 3gyr s HIS 440 CO 0.53 -0.14 -0.26 1.03 -0.85 0.00 0.00 174.74 175.05 3gyr s ARG 441 N 0.29 1.75 -0.14 1.40 1.81 -0.55 -4.97 118.95 118.54 3gyr s ARG 441 Ca -0.05 -1.12 0.01 0.00 -1.72 0.00 0.00 55.73 52.85 3gyr s ARG 441 Cb -0.10 -1.94 -0.00 0.00 -0.45 0.00 0.00 34.95 32.45 3gyr s ARG 441 CO 0.01 0.50 -0.17 -1.17 -0.68 0.00 0.00 175.30 173.79 3gyr s LEU 442 N -1.29 2.41 -0.19 2.53 2.96 -1.26 -1.36 118.68 122.48 3gyr s LEU 442 Ca 0.12 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3gyr s LEU 442 Cb -0.10 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 45.09 3gyr s LEU 442 CO 0.02 0.11 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.39 3gyr s ILE 443 N 0.69 1.80 -0.04 6.68 -1.09 0.14 -2.18 121.20 127.20 3gyr s ILE 443 Ca -0.08 -1.01 -0.13 0.00 -2.23 0.00 0.00 60.65 57.20 3gyr s ILE 443 Cb -0.16 -1.78 -0.05 0.00 -1.58 0.00 0.00 42.46 38.89 3gyr s ILE 443 CO 0.02 0.29 0.35 -0.69 -1.23 0.00 0.00 174.94 173.67 3gyr s VAL 444 N 1.35 5.16 -0.18 2.92 1.01 -0.01 0.54 120.40 131.19 3gyr s VAL 444 Ca 0.00 0.69 -0.05 0.00 0.00 0.00 0.00 61.98 62.63 3gyr s VAL 444 Cb -0.15 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 3gyr s VAL 444 CO -0.09 0.56 -0.01 -0.76 0.00 0.00 0.00 175.10 174.80 3gyr s LEU 445 N -0.89 3.27 0.10 3.92 1.43 0.82 -0.21 118.68 127.12 3gyr s LEU 445 Ca 0.21 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 3gyr s LEU 445 Cb -0.15 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3gyr s LEU 445 CO 0.11 0.11 0.17 0.42 0.23 0.00 0.00 176.35 177.39 3gyr s THR 446 N 0.71 4.99 0.54 5.49 -4.23 -0.81 -0.95 115.64 121.37 3gyr s THR 446 Ca -0.01 -0.66 -0.19 0.00 -1.18 0.00 0.00 61.69 59.66 3gyr s THR 446 Cb -0.14 -3.46 -0.06 0.00 1.34 0.00 0.00 72.50 70.17 3gyr s THR 446 CO 0.02 0.06 1.08 -2.16 -0.54 0.00 0.00 174.62 173.08 3gyr s PRO 447 N -2.68 3.46 0.55 3.99 0.04 -1.26 -3.84 135.00 135.26 3gyr s PRO 447 Ca 0.33 1.44 0.24 0.00 0.04 0.00 0.00 61.00 63.05 3gyr s PRO 447 Cb -0.12 -2.04 1.54 0.00 0.04 0.00 0.00 34.50 33.92 3gyr s PRO 447 CO 0.26 -0.73 2.17 -1.35 0.04 0.00 0.00 177.00 177.39 3gyr h PRO 448 N 1.11 0.00 -0.92 0.56 0.11 -1.84 -2.64 132.00 128.38 3gyr h PRO 448 Ca -0.49 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3gyr h PRO 448 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3gyr h PRO 448 CO 0.57 0.04 0.07 0.41 -0.21 0.00 0.00 178.00 178.88 3gyr n GLY 449 N -1.25 2.22 3.77 -0.55 0.00 -1.26 -2.54 105.19 105.58 3gyr n GLY 449 Ca -0.03 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 3gyr n GLY 449 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gyr s THR 450 N -1.33 3.67 0.01 2.61 2.01 -0.99 -4.70 115.64 116.92 3gyr s THR 450 Ca 0.16 1.52 -0.37 0.00 0.31 0.00 0.00 61.69 63.31 3gyr s THR 450 Cb 0.13 -3.90 -0.16 0.00 0.01 0.00 0.00 72.50 68.57 3gyr s THR 450 CO 0.04 0.24 1.45 1.17 -0.69 0.00 0.00 174.62 176.83 3gyr n LYS 451 N 0.74 1.21 -0.55 4.92 4.81 0.10 -2.04 118.16 127.36 3gyr n LYS 451 Ca 0.01 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 3gyr n LYS 451 Cb 0.47 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.42 3gyr n LYS 451 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gyr n GLY 452 N 2.95 0.77 0.94 3.14 0.00 -1.26 -4.86 105.19 106.87 3gyr n GLY 452 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 3gyr n GLY 452 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gyr n SER 453 N 0.00 2.97 -2.70 1.61 3.41 -0.87 -4.94 113.62 113.10 3gyr n SER 453 Ca 0.00 -1.97 -0.21 0.00 -0.26 0.00 0.00 58.87 56.44 3gyr n SER 453 Cb 0.00 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3gyr n SER 453 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gyr n GLY 454 N 1.32 -0.51 0.84 5.00 0.00 -1.26 -2.19 105.19 108.38 3gyr n GLY 454 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3gyr n GLY 454 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyr n GLY 455 N -1.21 0.67 3.72 -0.02 0.00 -1.24 -4.87 105.19 102.23 3gyr n GLY 455 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 3gyr n GLY 455 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gyr s HIS 456 N -2.52 3.01 0.51 1.61 3.76 -0.93 -4.55 115.29 116.18 3gyr s HIS 456 Ca 0.00 -0.05 -0.19 0.00 -0.15 0.00 0.00 55.06 54.67 3gyr s HIS 456 Cb 0.00 -1.49 -0.07 0.00 1.11 0.00 0.00 32.58 32.13 3gyr s HIS 456 CO 0.00 0.51 1.04 -1.25 -0.85 0.00 0.00 174.74 174.19 3gyr s PRO 457 N -2.75 3.68 0.12 8.40 0.04 -1.26 -4.45 135.00 138.78 3gyr s PRO 457 Ca 0.28 1.32 0.05 0.00 0.04 0.00 0.00 61.00 62.69 3gyr s PRO 457 Cb -0.11 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3gyr s PRO 457 CO 0.20 -0.53 -0.12 -1.21 0.04 0.00 0.00 177.00 175.39 3gyr s GLU 458 N -3.44 0.99 -0.11 4.56 2.02 -1.25 -4.67 118.70 116.78 3gyr s GLU 458 Ca 0.66 -1.28 -0.27 0.00 0.02 0.00 0.00 54.97 54.10 3gyr s GLU 458 Cb -0.16 -0.71 -0.02 0.00 0.10 0.00 0.00 34.13 33.34 3gyr s GLU 458 CO 0.24 0.11 0.87 0.42 0.02 0.00 0.00 175.26 176.92 3gyr s ILE 459 N -2.61 4.89 -0.30 -1.63 1.01 -1.26 -1.93 121.20 119.37 3gyr s ILE 459 Ca 0.10 1.75 -0.04 0.00 0.00 0.00 0.00 60.65 62.46 3gyr s ILE 459 Cb -0.02 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.30 3gyr s ILE 459 CO 0.01 0.08 0.04 0.26 0.00 0.00 0.00 174.94 175.33 3gyr s TRP 460 N 1.73 3.18 0.19 3.97 0.52 0.70 -4.16 118.94 125.07 3gyr s TRP 460 Ca 0.42 -1.41 -0.30 0.00 0.02 0.00 0.00 56.10 54.83 3gyr s TRP 460 Cb -0.18 -2.18 -0.08 0.00 -1.15 0.00 0.00 33.47 29.88 3gyr s TRP 460 CO 0.17 -0.70 1.29 -1.21 0.02 0.00 0.00 176.95 176.52 3gyr s GLU 461 N 1.38 4.41 0.02 4.98 2.02 -0.60 -0.83 118.70 130.09 3gyr s GLU 461 Ca -0.01 2.01 0.09 0.00 0.02 0.00 0.00 54.97 57.08 3gyr s GLU 461 Cb -0.18 -3.21 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 3gyr s GLU 461 CO 0.00 -0.23 -0.26 -1.64 0.02 0.00 0.00 175.26 173.15 3gyr s MET 462 N -0.07 1.92 -0.05 1.61 -1.94 -0.93 -0.23 119.30 119.62 3gyr s MET 462 Ca 0.56 -1.04 0.05 0.00 -1.71 0.00 0.00 55.69 53.55 3gyr s MET 462 Cb -0.36 -2.01 -0.01 0.00 2.01 0.00 0.00 34.83 34.47 3gyr s MET 462 CO 0.37 0.53 -0.22 0.00 -0.01 0.00 0.00 175.02 175.70 3gyr s ALA 463 N -0.74 1.89 0.34 3.03 0.00 -0.45 -4.43 121.76 121.40 3gyr s ALA 463 Ca 0.11 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 3gyr s ALA 463 Cb -0.10 -0.61 -0.10 0.00 0.00 0.00 0.00 23.12 22.32 3gyr s ALA 463 CO 0.01 0.35 1.24 -2.00 0.00 0.00 0.00 175.76 175.36 3gyr s GLU 464 N -0.06 4.34 0.06 0.00 2.12 -1.26 -0.99 118.70 122.92 3gyr s GLU 464 Ca -0.04 2.06 0.08 0.00 0.36 0.00 0.00 54.97 57.43 3gyr s GLU 464 Cb -0.13 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 3gyr s GLU 464 CO 0.03 -0.14 -0.18 0.54 -0.54 0.00 0.00 175.26 174.97 3gyr s VAL 465 N -1.20 2.81 -0.34 3.70 0.11 0.12 -4.90 120.40 120.70 3gyr s VAL 465 Ca 0.50 -1.28 0.15 0.00 -2.93 0.00 0.00 61.98 58.42 3gyr s VAL 465 Cb -0.37 -2.22 0.42 0.00 -1.53 0.00 0.00 36.38 32.69 3gyr s VAL 465 CO 0.48 0.26 0.90 -0.62 -3.33 0.00 0.00 175.10 172.79 3gyr n GLU 466 N 1.31 1.08 -3.56 1.54 1.02 -1.26 -4.59 120.64 116.18 3gyr n GLU 466 Ca -0.16 -3.20 -0.16 0.00 -0.02 0.00 0.00 57.16 53.62 3gyr n GLU 466 Cb 0.52 -1.33 -0.06 0.00 -0.02 0.00 0.00 31.44 30.55 3gyr n GLU 466 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3gyr s GLN 472 N -2.67 1.01 0.28 3.49 -1.52 -1.26 -5.20 119.66 113.80 3gyr s GLN 472 Ca 0.31 0.10 0.00 0.00 -1.95 0.00 0.00 55.36 53.81 3gyr s GLN 472 Cb 0.42 0.47 0.00 0.00 -0.22 0.00 0.00 33.01 33.68 3gyr s GLN 472 CO -0.01 -0.32 0.00 1.55 -0.25 0.00 0.00 175.29 176.26 3gyr n VAL 473 N 0.84 0.00 -1.71 1.09 3.14 -1.26 -4.39 118.33 116.04 3gyr n VAL 473 Ca -0.19 0.06 -0.42 0.00 -2.96 0.00 0.00 64.34 60.83 3gyr n VAL 473 Cb 0.58 -0.45 -0.03 0.00 -1.06 0.00 0.00 33.84 32.88 3gyr n VAL 473 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3gyr s PRO 474 N -2.16 4.14 0.05 1.45 0.02 -1.26 -5.01 135.00 132.23 3gyr s PRO 474 Ca 0.00 2.59 -0.10 0.00 0.02 0.00 0.00 61.00 63.50 3gyr s PRO 474 Cb 0.00 -3.83 0.01 0.00 0.02 0.00 0.00 34.50 30.70 3gyr s PRO 474 CO 0.00 -0.88 0.22 0.00 -0.33 0.00 0.00 177.00 176.01 3gyr s ALA 475 N 3.45 -0.43 0.02 -1.55 0.00 -1.26 -5.10 121.76 116.89 3gyr s ALA 475 Ca 0.83 -0.24 -0.36 0.00 0.00 0.00 0.00 51.96 52.19 3gyr s ALA 475 Cb -0.44 0.31 -0.15 0.00 0.00 0.00 0.00 23.12 22.84 3gyr s ALA 475 CO 0.38 -0.39 1.55 -1.91 0.00 0.00 0.00 175.76 175.39 3gyr n GLU 476 N 0.59 1.57 -1.13 0.00 2.13 -1.25 -2.19 120.64 120.37 3gyr n GLU 476 Ca -0.18 0.57 -0.04 0.00 0.66 0.00 0.00 57.16 58.16 3gyr n GLU 476 Cb 0.59 -2.28 -0.02 0.00 0.27 0.00 0.00 31.44 30.00 3gyr n GLU 476 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gyr n GLY 477 N 3.31 0.65 3.44 8.31 0.00 0.39 -4.92 105.19 116.38 3gyr n GLY 477 Ca 0.20 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3gyr n GLY 477 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gyr s VAL 478 N -1.89 3.85 -0.10 1.61 1.01 -0.93 -0.01 120.40 123.93 3gyr s VAL 478 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3gyr s VAL 478 Cb 0.00 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.66 3gyr s VAL 478 CO 0.00 0.44 -0.16 -0.63 0.00 0.00 0.00 175.10 174.75 3gyr s ILE 479 N 0.94 1.49 -0.11 2.22 1.01 0.10 -1.60 121.20 125.25 3gyr s ILE 479 Ca 0.01 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 3gyr s ILE 479 Cb -0.14 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 3gyr s ILE 479 CO 0.02 0.44 0.10 -1.10 0.00 0.00 0.00 174.94 174.39 3gyr s GLN 480 N 0.85 3.30 -0.15 2.79 -0.21 -1.26 -0.90 119.66 124.09 3gyr s GLN 480 Ca -0.09 -0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.07 3gyr s GLN 480 Cb -0.15 -3.07 0.03 0.00 1.00 0.00 0.00 33.01 30.81 3gyr s GLN 480 CO 0.01 0.75 -0.12 0.08 -2.12 0.00 0.00 175.29 173.89 3gyr s VAL 481 N -0.97 1.44 -0.42 1.09 1.01 -0.40 -0.41 120.40 121.73 3gyr s VAL 481 Ca 0.14 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 3gyr s VAL 481 Cb -0.12 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.87 3gyr s VAL 481 CO 0.03 0.38 0.73 -0.89 0.00 0.00 0.00 175.10 175.35 3gyr s THR 482 N 1.53 4.74 0.00 3.92 2.01 0.46 -0.30 115.64 128.00 3gyr s THR 482 Ca 0.04 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.47 3gyr s THR 482 Cb -0.13 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.13 3gyr s THR 482 CO -0.10 -0.59 0.00 0.61 -0.69 0.00 0.00 174.62 173.85 3gyr n GLY 483 N 4.89 0.06 0.06 4.40 0.00 0.18 -1.87 105.19 112.91 3gyr n GLY 483 Ca 0.01 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.62 3gyr n GLY 483 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyr n ALA 484 N -3.00 2.96 0.87 4.61 0.00 -1.26 -2.61 120.51 122.07 3gyr n ALA 484 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 53.44 53.25 3gyr n ALA 484 Cb 0.00 -1.18 0.15 0.00 0.00 0.00 0.00 19.45 18.42 3gyr n ALA 484 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3gyr n ASP 485 N -2.04 1.91 0.00 0.00 5.68 -1.26 -4.92 116.55 115.91 3gyr n ASP 485 Ca 0.04 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 3gyr n ASP 485 Cb 0.43 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 3gyr n ASP 485 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gyr n GLY 486 N 1.02 0.23 3.80 6.12 0.00 -1.07 -4.99 105.19 110.29 3gyr n GLY 486 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3gyr n GLY 486 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gyr s ARG 487 N -0.94 4.44 -0.02 1.61 3.52 -1.26 -4.85 118.95 121.44 3gyr s ARG 487 Ca 0.00 1.21 0.00 0.00 -0.13 0.00 0.00 55.73 56.81 3gyr s ARG 487 Cb 0.00 -2.63 -0.04 0.00 -1.56 0.00 0.00 34.95 30.72 3gyr s ARG 487 CO 0.00 0.21 0.02 0.99 -0.81 0.00 0.00 175.30 175.71 3gyr s THR 488 N -1.77 4.33 0.14 4.11 2.01 -1.26 -0.65 115.64 122.55 3gyr s THR 488 Ca 0.53 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 62.10 3gyr s THR 488 Cb -0.16 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3gyr s THR 488 CO 0.20 0.42 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.91 3gyr s LYS 489 N -1.44 1.03 -0.13 4.92 1.02 0.59 -4.94 119.74 120.79 3gyr s LYS 489 Ca 0.19 -1.36 0.02 0.00 0.02 0.00 0.00 55.97 54.84 3gyr s LYS 489 Cb -0.12 -0.70 0.00 0.00 -0.52 0.00 0.00 37.83 36.50 3gyr s LYS 489 CO 0.09 0.10 -0.21 0.99 -0.92 0.00 0.00 175.35 175.41 3gyr s THR 490 N -2.88 2.24 0.04 2.17 2.01 -1.26 -1.27 115.64 116.69 3gyr s THR 490 Ca 0.13 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.25 3gyr s THR 490 Cb -0.00 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 3gyr s THR 490 CO 0.01 0.55 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.04 3gyr s TYR 491 N 0.60 1.25 -0.02 4.92 1.51 -0.08 0.11 117.35 125.65 3gyr s TYR 491 Ca -0.11 -0.36 0.06 0.00 -1.01 0.00 0.00 57.07 55.64 3gyr s TYR 491 Cb -0.16 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.93 3gyr s TYR 491 CO 0.03 0.04 -0.20 0.50 -1.11 0.00 0.00 175.55 174.80 3gyr s ARG 492 N -1.18 1.77 -0.07 -0.62 3.52 -0.16 0.02 118.95 122.23 3gyr s ARG 492 Ca 0.02 -0.73 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 3gyr s ARG 492 Cb -0.08 -1.66 -0.03 0.00 -1.56 0.00 0.00 34.95 31.62 3gyr s ARG 492 CO 0.01 0.41 1.16 0.50 -0.81 0.00 0.00 175.30 176.57 3gyr s ARG 493 N -0.37 4.36 -0.01 5.12 3.52 0.98 -1.34 118.95 131.22 3gyr s ARG 493 Ca 0.05 1.62 0.15 0.00 -0.13 0.00 0.00 55.73 57.41 3gyr s ARG 493 Cb -0.09 -3.56 -0.20 0.00 -1.56 0.00 0.00 34.95 29.55 3gyr s ARG 493 CO 0.00 -0.42 0.46 0.25 -0.81 0.00 0.00 175.30 174.78 3gyr n THR 494 N 4.61 0.00 -3.61 4.11 -2.24 0.68 -4.96 114.28 112.88 3gyr n THR 494 Ca 0.11 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.48 3gyr n THR 494 Cb 0.47 0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 69.18 3gyr n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gyr s ALA 495 N -2.72 -1.69 0.00 6.98 0.00 -1.22 -4.86 121.76 118.25 3gyr s ALA 495 Ca -0.00 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.67 3gyr s ALA 495 Cb 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.45 3gyr s ALA 495 CO 0.61 -0.34 0.13 2.89 0.00 0.00 0.00 175.76 179.06 3gyr n ARG 496 N 2.16 1.19 -3.55 0.00 1.85 -1.26 -1.55 116.66 115.49 3gyr n ARG 496 Ca -0.16 -0.13 -0.11 0.00 -1.00 0.00 0.00 57.85 56.46 3gyr n ARG 496 Cb 0.56 -0.52 -0.02 0.00 -1.05 0.00 0.00 32.46 31.43 3gyr n ARG 496 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3gyr s THR 497 N -0.21 0.00 0.29 8.89 -1.32 -1.26 -4.35 115.64 117.69 3gyr s THR 497 Ca 0.00 -0.31 0.02 0.00 -1.21 0.00 0.00 61.69 60.19 3gyr s THR 497 Cb 0.00 -1.29 0.34 0.00 -1.51 0.00 0.00 72.50 70.04 3gyr s THR 497 CO 0.00 -0.02 1.62 0.15 -2.21 0.00 0.00 174.62 174.17 3gyr h PHE 498 N 2.02 0.24 -0.49 9.09 3.04 -1.24 -1.57 116.94 128.05 3gyr h PHE 498 Ca -0.30 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.71 3gyr h PHE 498 Cb 1.29 0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.84 3gyr h PHE 498 CO 0.29 -0.29 0.00 0.09 -2.02 0.00 0.00 178.31 176.38 3gyr n ASN 499 N -5.31 3.12 -4.76 0.41 5.03 -1.26 -4.57 115.26 107.91 3gyr n ASN 499 Ca 0.22 -2.15 -0.33 0.00 0.87 0.00 0.00 54.58 53.19 3gyr n ASN 499 Cb 0.72 -0.41 0.06 0.00 -1.02 0.00 0.00 39.78 39.13 3gyr n ASN 499 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3gyr s ASP 500 N -0.89 4.82 0.23 6.41 1.01 -0.59 -4.93 116.67 122.73 3gyr s ASP 500 Ca 0.35 2.03 -0.28 0.00 0.71 0.00 0.00 52.55 55.37 3gyr s ASP 500 Cb 0.20 -2.55 -0.16 0.00 1.01 0.00 0.00 42.92 41.42 3gyr s ASP 500 CO 0.20 -1.83 0.64 0.61 0.21 0.00 0.00 175.17 175.00 3gyr n GLY 501 N -0.46 -1.38 3.54 0.21 0.00 -1.26 -4.82 105.19 101.02 3gyr n GLY 501 Ca 0.11 0.32 -0.50 0.00 0.00 0.00 0.00 46.02 45.94 3gyr n GLY 501 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gyr n LEU 502 N 1.79 0.91 -0.10 0.99 7.94 -1.26 -4.90 117.00 122.36 3gyr n LEU 502 Ca 0.15 1.14 -0.14 0.00 -1.11 0.00 0.00 56.01 56.06 3gyr n LEU 502 Cb 0.27 -1.13 -0.05 0.00 0.53 0.00 0.00 43.42 43.05 3gyr n LEU 502 CO 0.57 -1.62 -0.81 0.61 -1.11 0.00 0.00 177.39 175.03 3gyr n GLY 503 N 1.93 -0.58 3.52 -3.96 0.00 -1.26 -5.00 105.19 99.83 3gyr n GLY 503 Ca 0.16 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3gyr n GLY 503 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gyr s PHE 504 N -2.73 3.09 -0.10 1.61 0.08 -1.26 -5.04 117.98 113.63 3gyr s PHE 504 Ca -0.30 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 56.69 3gyr s PHE 504 Cb 0.06 -3.26 -0.02 0.00 -0.57 0.00 0.00 43.02 39.23 3gyr s PHE 504 CO 0.43 -0.83 -0.14 0.99 -0.10 0.00 0.00 175.22 175.57 3gyr s THR 505 N 2.71 3.02 -0.06 0.64 2.01 -1.26 -0.95 115.64 121.75 3gyr s THR 505 Ca 0.21 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 3gyr s THR 505 Cb -0.15 -2.23 0.03 0.00 0.01 0.00 0.00 72.50 70.16 3gyr s THR 505 CO 0.18 0.55 -0.01 -0.63 -0.69 0.00 0.00 174.62 174.02 3gyr s ILE 506 N -0.08 0.36 0.15 1.82 1.01 0.48 -4.96 121.20 119.98 3gyr s ILE 506 Ca -0.02 0.07 -0.31 0.00 0.00 0.00 0.00 60.65 60.39 3gyr s ILE 506 Cb -0.14 -0.49 -0.10 0.00 0.01 0.00 0.00 42.46 41.74 3gyr s ILE 506 CO 0.04 0.23 1.69 -0.83 0.00 0.00 0.00 174.94 176.07 3gyr s GLY 507 N 1.60 1.40 0.33 6.18 0.00 -1.26 -1.66 107.32 113.92 3gyr s GLY 507 Ca -0.01 1.43 -0.29 0.00 0.00 0.00 0.00 44.72 45.85 3gyr s GLY 507 CO -0.03 2.87 1.38 -2.21 0.00 0.00 0.00 173.10 175.10 3gyr n GLU 508 N 4.64 2.29 0.00 2.90 0.00 0.13 -1.89 120.64 128.71 3gyr n GLU 508 Ca 0.16 0.80 0.00 0.00 0.00 0.00 0.00 57.16 58.12 3gyr n GLU 508 Cb 0.38 -2.45 0.00 0.00 0.00 0.00 0.00 31.44 29.37 3gyr n GLU 508 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gyr n GLY 509 N 1.01 3.29 3.78 8.31 0.00 0.94 -4.45 105.19 118.08 3gyr n GLY 509 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3gyr n GLY 509 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gyr s THR 510 N -2.21 3.47 -0.01 2.61 -4.23 -0.79 -4.71 115.64 109.78 3gyr s THR 510 Ca 0.00 0.48 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 3gyr s THR 510 Cb 0.00 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 3gyr s THR 510 CO 0.00 -0.62 0.02 -1.00 -0.54 0.00 0.00 174.62 172.47 3gyr s HIS 511 N -2.98 3.12 0.06 3.99 3.76 -1.26 -1.19 115.29 120.79 3gyr s HIS 511 Ca 0.60 0.11 0.04 0.00 -0.15 0.00 0.00 55.06 55.67 3gyr s HIS 511 Cb -0.16 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 3gyr s HIS 511 CO 0.56 0.48 -0.12 -1.21 -0.85 0.00 0.00 174.74 173.60 3gyr s GLU 512 N -1.56 0.73 -0.21 1.40 2.02 -0.67 -1.72 118.70 118.70 3gyr s GLU 512 Ca 0.20 -0.88 -0.09 0.00 0.02 0.00 0.00 54.97 54.22 3gyr s GLU 512 Cb -0.12 -0.67 -0.05 0.00 0.10 0.00 0.00 34.13 33.40 3gyr s GLU 512 CO 0.11 0.15 0.12 -1.14 0.02 0.00 0.00 175.26 174.51 3gyr s GLN 513 N -1.64 4.08 -0.06 1.61 0.74 0.44 -1.74 119.66 123.10 3gyr s GLN 513 Ca -0.04 -0.28 -0.01 0.00 0.05 0.00 0.00 55.36 55.09 3gyr s GLN 513 Cb -0.10 -3.39 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 3gyr s GLN 513 CO 0.02 0.21 0.00 -1.58 -0.55 0.00 0.00 175.29 173.39 3gyr s TRP 514 N 0.60 3.13 -0.19 1.67 0.52 0.56 -1.49 118.94 123.74 3gyr s TRP 514 Ca 0.06 0.15 -0.01 0.00 0.02 0.00 0.00 56.10 56.33 3gyr s TRP 514 Cb -0.12 -1.75 0.01 0.00 -1.15 0.00 0.00 33.47 30.46 3gyr s TRP 514 CO 0.01 0.47 -0.14 0.99 0.02 0.00 0.00 176.95 178.30 3gyr s THR 515 N -0.96 2.60 -0.33 2.01 2.01 -0.46 -0.99 115.64 119.52 3gyr s THR 515 Ca 0.16 -0.76 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 3gyr s THR 515 Cb -0.11 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 3gyr s THR 515 CO 0.05 0.49 0.46 -0.36 -0.69 0.00 0.00 174.62 174.58 3gyr s PHE 516 N 1.35 3.20 -0.42 4.92 0.40 0.41 -0.68 117.98 127.16 3gyr s PHE 516 Ca 0.05 0.20 -0.06 0.00 -0.60 0.00 0.00 56.93 56.52 3gyr s PHE 516 Cb -0.14 -2.80 0.10 0.00 0.51 0.00 0.00 43.02 40.69 3gyr s PHE 516 CO -0.09 -0.45 0.25 -1.17 0.70 0.00 0.00 175.22 174.46 3gyr s LEU 517 N 2.26 5.29 -0.30 -0.37 2.96 0.19 -0.94 118.68 127.77 3gyr s LEU 517 Ca 0.17 -1.81 -0.25 0.00 -0.22 0.00 0.00 54.13 52.01 3gyr s LEU 517 Cb -0.16 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.62 3gyr s LEU 517 CO 0.12 -0.57 0.89 0.21 -1.32 0.00 0.00 176.35 175.67 3gyr s ASN 518 N 2.14 6.78 0.00 3.68 3.84 0.12 -0.13 114.94 131.38 3gyr s ASN 518 Ca 0.05 0.85 0.27 0.00 0.21 0.00 0.00 52.86 54.24 3gyr s ASN 518 Cb -0.24 -2.46 0.92 0.00 -0.55 0.00 0.00 41.25 38.92 3gyr s ASN 518 CO -0.01 -0.68 1.67 0.18 -2.79 0.00 0.00 177.10 175.46 3gyr n LEU 519 N 6.37 1.72 -4.68 3.21 4.77 -0.12 -1.31 117.00 126.95 3gyr n LEU 519 Ca 0.07 -0.59 -0.26 0.00 -0.03 0.00 0.00 56.01 55.20 3gyr n LEU 519 Cb 0.48 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 3gyr n LEU 519 CO 0.53 0.29 -0.22 -0.94 -1.33 0.00 0.00 177.39 175.72 3gyr s SER 520 N -1.96 4.16 0.00 -1.43 1.04 -1.26 -4.73 113.70 109.52 3gyr s SER 520 Ca 0.36 -1.23 0.21 0.00 0.48 0.00 0.00 55.95 55.78 3gyr s SER 520 Cb 0.21 -0.42 0.81 0.00 0.10 0.00 0.00 66.02 66.71 3gyr s SER 520 CO 0.33 -0.51 1.58 -0.81 0.98 0.00 0.00 173.24 174.81 3gyr n PRO 521 N -1.11 1.66 -3.34 4.02 -0.04 -1.26 -2.50 135.00 132.42 3gyr n PRO 521 Ca -0.03 -0.98 -0.39 0.00 -0.04 0.00 0.00 63.50 62.06 3gyr n PRO 521 Cb 0.66 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.65 3gyr n PRO 521 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3gyr s ILE 522 N -1.82 5.17 -0.02 0.52 -4.36 -1.26 -4.26 121.20 115.16 3gyr s ILE 522 Ca 0.32 0.79 -0.30 0.00 -0.26 0.00 0.00 60.65 61.20 3gyr s ILE 522 Cb 0.17 -3.77 -0.05 0.00 1.25 0.00 0.00 42.46 40.06 3gyr s ILE 522 CO 0.26 0.22 1.40 -0.22 0.24 0.00 0.00 174.94 176.85 3gyr s LEU 523 N 1.45 4.30 -0.21 0.37 0.20 -1.26 -4.52 118.68 119.01 3gyr s LEU 523 Ca 0.21 2.08 -0.03 0.00 0.69 0.00 0.00 54.13 57.08 3gyr s LEU 523 Cb -0.15 -3.56 -0.00 0.00 -0.43 0.00 0.00 46.19 42.05 3gyr s LEU 523 CO 0.09 -0.74 -0.08 -1.00 -0.29 0.00 0.00 176.35 174.33 3gyr s HIS 524 N 2.63 2.91 -0.53 5.38 3.76 -0.49 -4.91 115.29 124.04 3gyr s HIS 524 Ca 0.64 -1.11 -0.26 0.00 -0.15 0.00 0.00 55.06 54.17 3gyr s HIS 524 Cb -0.30 -2.05 0.03 0.00 1.11 0.00 0.00 32.58 31.37 3gyr s HIS 524 CO 0.26 -0.61 1.03 -1.25 -0.85 0.00 0.00 174.74 173.31 3gyr s PRO 525 N 1.41 3.46 0.07 8.40 0.04 -1.26 -0.85 135.00 146.27 3gyr s PRO 525 Ca 0.05 0.05 -0.16 0.00 0.04 0.00 0.00 61.00 60.99 3gyr s PRO 525 Cb -0.14 -4.00 -0.06 0.00 0.04 0.00 0.00 34.50 30.34 3gyr s PRO 525 CO -0.06 -1.47 0.50 -1.64 0.04 0.00 0.00 177.00 174.37 3gyr s MET 526 N 4.23 4.01 -0.01 4.56 -1.94 -0.35 -0.54 119.30 129.26 3gyr s MET 526 Ca 0.37 0.52 0.02 0.00 -1.71 0.00 0.00 55.69 54.89 3gyr s MET 526 Cb -0.10 -3.13 -0.00 0.00 2.01 0.00 0.00 34.83 33.61 3gyr s MET 526 CO 0.24 0.61 -0.08 -1.58 -0.01 0.00 0.00 175.02 174.20 3gyr s HIS 527 N -1.22 0.75 -0.11 -0.03 5.04 0.35 -0.21 115.29 119.86 3gyr s HIS 527 Ca 0.30 -0.16 0.03 0.00 -1.54 0.00 0.00 55.06 53.69 3gyr s HIS 527 Cb -0.17 -0.51 0.01 0.00 0.04 0.00 0.00 32.58 31.95 3gyr s HIS 527 CO 0.17 -0.05 -0.19 0.42 -2.34 0.00 0.00 174.74 172.75 3gyr s ILE 528 N 0.02 1.78 1.13 0.89 1.01 -1.14 -0.56 121.20 124.34 3gyr s ILE 528 Ca 0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 60.65 59.63 3gyr s ILE 528 Cb -0.05 -1.58 0.27 0.00 0.01 0.00 0.00 42.46 41.11 3gyr s ILE 528 CO -0.00 0.50 1.23 -1.00 0.00 0.00 0.00 174.94 175.67 3gyr s HIS 529 N 0.69 0.62 0.00 3.97 3.76 -0.67 -4.39 115.29 119.27 3gyr s HIS 529 Ca -0.12 0.29 0.00 0.00 -0.15 0.00 0.00 55.06 55.09 3gyr s HIS 529 Cb -0.16 -3.87 0.00 0.00 1.11 0.00 0.00 32.58 29.66 3gyr s HIS 529 CO 0.02 -3.54 0.00 -0.11 -0.85 0.00 0.00 174.74 170.26 3gyr n LEU 530 N -4.43 0.00 -4.93 0.89 7.94 -1.26 -4.89 117.00 110.32 3gyr n LEU 530 Ca 0.16 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.81 3gyr n LEU 530 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 3gyr n LEU 530 CO 0.42 0.00 0.33 0.00 -1.11 0.00 0.00 177.39 177.04 3gyr s ALA 531 N 0.00 3.58 0.03 1.96 0.00 -1.26 -4.45 121.76 121.62 3gyr s ALA 531 Ca 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 3gyr s ALA 531 Cb 0.00 -2.32 -0.06 0.00 0.00 0.00 0.00 23.12 20.74 3gyr s ALA 531 CO 0.00 -0.34 0.40 -0.51 0.00 0.00 0.00 175.76 175.31 3gyr s ASP 532 N -4.15 6.73 0.19 0.00 1.01 -1.26 -4.79 116.67 114.40 3gyr s ASP 532 Ca 0.47 0.88 0.05 0.00 0.71 0.00 0.00 52.55 54.66 3gyr s ASP 532 Cb -0.10 -2.22 -0.05 0.00 1.01 0.00 0.00 42.92 41.56 3gyr s ASP 532 CO 0.40 0.27 -0.07 -0.36 0.21 0.00 0.00 175.17 175.62 3gyr s PHE 533 N -1.20 1.48 0.04 4.23 0.40 -0.53 -3.81 117.98 118.60 3gyr s PHE 533 Ca 0.27 -0.78 0.08 0.00 -0.60 0.00 0.00 56.93 55.90 3gyr s PHE 533 Cb -0.15 -0.78 -0.03 0.00 0.51 0.00 0.00 43.02 42.56 3gyr s PHE 533 CO 0.15 0.10 -0.23 -0.65 0.70 0.00 0.00 175.22 175.29 3gyr s GLN 534 N -3.77 1.54 -0.08 0.44 -0.21 -0.33 -0.89 119.66 116.36 3gyr s GLN 534 Ca 0.22 -1.01 -0.30 0.00 0.02 0.00 0.00 55.36 54.30 3gyr s GLN 534 Cb 0.03 -1.68 -0.03 0.00 1.00 0.00 0.00 33.01 32.33 3gyr s GLN 534 CO 0.05 0.43 1.30 0.08 -2.12 0.00 0.00 175.29 175.03 3gyr s VAL 535 N -0.80 4.09 -0.12 1.09 1.01 -1.26 -1.49 120.40 122.92 3gyr s VAL 535 Ca 0.09 1.39 0.17 0.00 0.00 0.00 0.00 61.98 63.63 3gyr s VAL 535 Cb -0.09 -3.90 -0.21 0.00 0.00 0.00 0.00 36.38 32.18 3gyr s VAL 535 CO 0.02 -0.05 0.53 0.18 0.00 0.00 0.00 175.10 175.77 3gyr n LEU 536 N 5.89 0.51 0.00 3.92 4.77 0.15 -4.97 117.00 127.27 3gyr n LEU 536 Ca 0.13 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 3gyr n LEU 536 Cb 0.45 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 3gyr n LEU 536 CO 0.57 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3gyr n GLY 537 N 1.52 1.72 3.14 -0.72 0.00 -1.15 -4.99 105.19 104.71 3gyr n GLY 537 Ca -0.17 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 3gyr n GLY 537 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 538 N -2.00 0.98 -0.00 1.61 0.52 -1.26 -1.51 118.95 117.28 3gyr s ARG 538 Ca 0.00 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 54.48 3gyr s ARG 538 Cb 0.00 -0.98 -0.00 0.00 0.52 0.00 0.00 34.95 34.48 3gyr s ARG 538 CO 0.00 0.25 -0.03 -0.51 0.02 0.00 0.00 175.30 175.02 3gyr s ASP 539 N -1.05 0.37 0.52 0.23 1.11 -0.60 -4.45 116.67 112.81 3gyr s ASP 539 Ca 0.02 -0.08 -0.12 0.00 0.18 0.00 0.00 52.55 52.55 3gyr s ASP 539 Cb -0.08 -0.03 -0.06 0.00 1.07 0.00 0.00 42.92 43.82 3gyr s ASP 539 CO 0.01 0.02 0.92 0.00 1.18 0.00 0.00 175.17 177.31 3gyr s ALA 540 N -0.14 3.19 0.08 5.23 0.00 -1.26 -0.56 121.76 128.29 3gyr s ALA 540 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.91 3gyr s ALA 540 Cb -0.02 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 3gyr s ALA 540 CO -0.00 -0.35 -0.10 0.71 0.00 0.00 0.00 175.76 176.03 3gyr s TYR 541 N -2.76 0.95 -0.32 0.00 2.02 -1.07 -1.84 117.35 114.32 3gyr s TYR 541 Ca 0.54 -0.61 -0.18 0.00 -0.37 0.00 0.00 57.07 56.46 3gyr s TYR 541 Cb -0.10 -0.54 -0.01 0.00 -0.40 0.00 0.00 41.96 40.91 3gyr s TYR 541 CO 0.40 -0.03 0.51 0.34 -1.57 0.00 0.00 175.55 175.20 3gyr s ASP 542 N -2.14 6.35 -0.07 2.29 -1.08 0.30 -4.73 116.67 117.59 3gyr s ASP 542 Ca 0.00 0.17 0.11 0.00 -0.52 0.00 0.00 52.55 52.31 3gyr s ASP 542 Cb -0.05 -2.27 0.24 0.00 -1.46 0.00 0.00 42.92 39.38 3gyr s ASP 542 CO -0.00 -0.41 1.17 0.00 0.52 0.00 0.00 175.17 176.45 3gyr n ALA 543 N 5.67 2.30 0.28 3.66 0.00 -1.26 -0.40 120.51 130.75 3gyr n ALA 543 Ca -0.05 -1.75 0.16 0.00 0.00 0.00 0.00 53.44 51.79 3gyr n ALA 543 Cb 0.49 -0.33 0.79 0.00 0.00 0.00 0.00 19.45 20.40 3gyr n ALA 543 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gyr h SER 544 N 0.72 0.00 0.02 0.00 4.64 -1.92 -1.48 113.55 115.53 3gyr h SER 544 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gyr h SER 544 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3gyr h SER 544 CO 0.04 0.08 0.00 1.23 -0.87 0.00 0.00 176.83 177.31 3gyr h GLY 545 N 1.07 0.00 -5.63 -0.77 0.00 -1.82 -3.42 103.07 92.50 3gyr h GLY 545 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 3gyr h GLY 545 CO 0.01 0.00 0.48 -0.12 0.00 0.00 0.00 176.54 176.91 3gyr s PHE 546 N -3.75 3.34 -0.29 5.60 2.19 -0.56 -0.07 117.98 124.44 3gyr s PHE 546 Ca -0.03 1.19 -0.07 0.00 0.33 0.00 0.00 56.93 58.35 3gyr s PHE 546 Cb 0.09 -3.06 0.01 0.00 -1.31 0.00 0.00 43.02 38.74 3gyr s PHE 546 CO 0.27 -0.37 0.08 0.34 1.83 0.00 0.00 175.22 177.38 3gyr s ASP 547 N 1.29 5.15 0.31 6.13 -1.08 -0.29 -4.95 116.67 123.23 3gyr s ASP 547 Ca 0.36 -0.66 0.01 0.00 -0.52 0.00 0.00 52.55 51.74 3gyr s ASP 547 Cb -0.16 -1.89 0.50 0.00 -1.46 0.00 0.00 42.92 39.92 3gyr s ASP 547 CO 0.08 -0.18 1.88 -0.07 0.52 0.00 0.00 175.17 177.40 3gyr h LEU 548 N 8.24 0.70 -0.47 -1.34 3.38 -1.89 0.14 115.31 124.08 3gyr h LEU 548 Ca -0.32 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.38 3gyr h LEU 548 Cb 1.13 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3gyr h LEU 548 CO 0.60 0.66 -0.73 0.00 0.09 0.00 0.00 178.44 179.07 3gyr h ALA 549 N 1.44 0.68 -0.04 1.53 0.00 -1.93 0.31 119.26 121.25 3gyr h ALA 549 Ca 0.17 -0.62 -0.23 0.00 0.00 0.00 0.00 54.91 54.24 3gyr h ALA 549 Cb 0.21 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3gyr h ALA 549 CO -0.01 0.80 -0.91 1.25 0.00 0.00 0.00 179.25 180.38 3gyr h LEU 550 N 0.18 0.68 -1.03 0.00 5.85 -1.95 -3.43 115.31 115.61 3gyr h LEU 550 Ca -0.03 -0.51 -0.18 0.00 0.84 0.00 0.00 57.88 58.01 3gyr h LEU 550 Cb 1.29 -0.20 0.06 0.00 0.37 0.00 0.00 40.66 42.18 3gyr h LEU 550 CO 0.11 1.30 -0.31 0.61 -0.34 0.00 0.00 178.44 179.81 3gyr n GLY 551 N 0.87 0.25 3.82 3.75 0.00 0.49 -3.78 105.19 110.59 3gyr n GLY 551 Ca -0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 3gyr n GLY 551 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gyr s GLY 552 N -3.20 -0.00 0.19 -0.02 0.00 -1.18 0.15 107.32 103.26 3gyr s GLY 552 Ca 0.24 -0.22 -0.29 0.00 0.00 0.00 0.00 44.72 44.45 3gyr s GLY 552 CO 0.33 0.76 0.91 -0.51 0.00 0.00 0.00 173.10 174.60 3gyr s THR 553 N -2.80 4.24 -0.17 0.90 -4.23 -0.63 -1.14 115.64 111.81 3gyr s THR 553 Ca 0.16 2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 62.46 3gyr s THR 553 Cb -0.03 -4.29 -0.19 0.00 1.34 0.00 0.00 72.50 69.33 3gyr s THR 553 CO 0.05 0.46 0.35 0.03 -0.54 0.00 0.00 174.62 174.97 3gyr h ARG 554 N 4.55 0.00 -6.31 3.99 3.08 -0.84 -3.42 114.38 115.44 3gyr h ARG 554 Ca -0.45 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.01 3gyr h ARG 554 Cb 1.20 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.15 3gyr h ARG 554 CO 0.69 0.86 -0.64 0.95 -1.07 0.00 0.00 179.97 180.75 3gyr s THR 555 N -2.26 3.82 0.61 2.04 -4.23 -1.23 -4.92 115.64 109.48 3gyr s THR 555 Ca -0.23 -1.40 -0.18 0.00 -1.18 0.00 0.00 61.69 58.69 3gyr s THR 555 Cb 0.02 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 3gyr s THR 555 CO 0.56 -0.13 1.24 -2.84 -0.54 0.00 0.00 174.62 172.91 3gyr s PRO 556 N -3.03 2.81 0.11 3.99 0.02 -1.26 -4.37 135.00 133.27 3gyr s PRO 556 Ca 0.28 1.92 -0.31 0.00 0.02 0.00 0.00 61.00 62.91 3gyr s PRO 556 Cb -0.09 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 3gyr s PRO 556 CO 0.19 -1.36 1.60 0.08 -0.33 0.00 0.00 177.00 177.18 3gyr s VAL 557 N -1.52 2.87 -0.16 3.83 1.01 0.45 -4.62 120.40 122.26 3gyr s VAL 557 Ca 0.79 0.49 -0.00 0.00 0.00 0.00 0.00 61.98 63.27 3gyr s VAL 557 Cb -0.33 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 3gyr s VAL 557 CO 0.36 0.02 -0.14 -0.60 0.00 0.00 0.00 175.10 174.73 3gyr s ARG 558 N 1.91 3.25 0.15 2.72 3.52 0.46 -0.40 118.95 130.55 3gyr s ARG 558 Ca 0.72 -0.73 -0.32 0.00 -0.13 0.00 0.00 55.73 55.26 3gyr s ARG 558 Cb -0.41 -2.66 -0.12 0.00 -1.56 0.00 0.00 34.95 30.20 3gyr s ARG 558 CO 0.32 0.02 1.76 -0.11 -0.81 0.00 0.00 175.30 176.48 3gyr n LEU 559 N 4.05 3.87 -4.41 -0.88 0.00 -0.78 0.11 117.00 118.97 3gyr n LEU 559 Ca -0.19 1.03 -0.44 0.00 0.00 0.00 0.00 56.01 56.40 3gyr n LEU 559 Cb 0.52 -1.53 -0.06 0.00 0.00 0.00 0.00 43.42 42.35 3gyr n LEU 559 CO 0.29 0.11 0.32 -0.62 0.00 0.00 0.00 177.39 177.48 3gyr s ASP 560 N 1.97 6.20 0.19 1.96 -1.08 -0.77 -4.80 116.67 120.34 3gyr s ASP 560 Ca 0.79 -1.20 0.25 0.00 -0.52 0.00 0.00 52.55 51.88 3gyr s ASP 560 Cb -0.53 -2.28 0.90 0.00 -1.46 0.00 0.00 42.92 39.56 3gyr s ASP 560 CO 0.36 -0.94 1.75 -0.81 0.52 0.00 0.00 175.17 176.05 3gyr n PRO 561 N 6.07 0.19 0.00 4.34 -0.04 -1.26 -2.92 135.00 141.37 3gyr n PRO 561 Ca -0.09 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 3gyr n PRO 561 Cb 0.44 -1.77 0.15 0.00 -0.04 0.00 0.00 33.50 32.28 3gyr n PRO 561 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gyr n ASP 562 N -2.11 0.64 -4.19 3.54 8.00 -1.26 -4.59 116.55 116.59 3gyr n ASP 562 Ca 0.04 -0.46 -0.41 0.00 0.71 0.00 0.00 54.79 54.67 3gyr n ASP 562 Cb 0.33 0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 41.83 3gyr n ASP 562 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gyr s THR 563 N -3.00 4.52 0.37 -3.53 2.01 -1.15 -5.06 115.64 109.81 3gyr s THR 563 Ca 0.10 -2.86 -0.27 0.00 0.31 0.00 0.00 61.69 58.97 3gyr s THR 563 Cb 0.17 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.73 3gyr s THR 563 CO 0.75 -0.96 1.20 -2.16 -0.69 0.00 0.00 174.62 172.76 3gyr s PRO 564 N -0.11 4.18 -0.36 4.92 0.04 -1.26 -4.17 135.00 138.24 3gyr s PRO 564 Ca 0.18 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.21 3gyr s PRO 564 Cb -0.15 -2.83 0.10 0.00 0.04 0.00 0.00 34.50 31.66 3gyr s PRO 564 CO -0.06 -0.24 0.08 0.08 0.04 0.00 0.00 177.00 176.89 3gyr s VAL 565 N -1.31 2.35 0.82 -0.36 1.01 -1.26 -4.97 120.40 116.69 3gyr s VAL 565 Ca 0.54 -2.43 -0.11 0.00 0.00 0.00 0.00 61.98 59.98 3gyr s VAL 565 Cb -0.34 -2.72 0.09 0.00 0.00 0.00 0.00 36.38 33.41 3gyr s VAL 565 CO 0.43 -0.62 1.10 -2.16 0.00 0.00 0.00 175.10 173.84 3gyr s PRO 566 N 0.80 1.85 0.38 2.72 0.04 -1.26 -4.44 135.00 135.09 3gyr s PRO 566 Ca 0.11 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.03 3gyr s PRO 566 Cb -0.20 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 3gyr s PRO 566 CO -0.07 -1.92 1.18 -0.51 0.04 0.00 0.00 177.00 175.72 3gyr s LEU 567 N -6.09 4.25 0.41 -3.56 1.43 -1.26 -4.94 118.68 108.92 3gyr s LEU 567 Ca 0.62 2.37 -0.26 0.00 -1.03 0.00 0.00 54.13 55.84 3gyr s LEU 567 Cb -0.18 -3.95 -0.10 0.00 0.03 0.00 0.00 46.19 41.99 3gyr s LEU 567 CO 0.57 -0.61 1.21 0.00 0.23 0.00 0.00 176.35 177.75 3gyr n ALA 568 N 0.25 1.02 0.27 4.21 0.00 -1.26 -4.89 120.51 120.11 3gyr n ALA 568 Ca 0.03 0.27 0.16 0.00 0.00 0.00 0.00 53.44 53.90 3gyr n ALA 568 Cb 0.46 -2.22 0.70 0.00 0.00 0.00 0.00 19.45 18.39 3gyr n ALA 568 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3gyr h PRO 569 N 2.02 0.00 -0.60 0.00 0.13 -1.95 -2.65 132.00 128.96 3gyr h PRO 569 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3gyr h PRO 569 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3gyr h PRO 569 CO 0.60 0.07 0.00 0.27 -0.23 0.00 0.00 178.00 178.71 3gyr n ASN 570 N -3.25 3.34 -1.19 1.44 6.94 -1.26 -4.37 115.26 116.91 3gyr n ASN 570 Ca -0.00 -2.28 -0.06 0.00 -0.02 0.00 0.00 54.58 52.22 3gyr n ASN 570 Cb 0.30 -0.46 0.18 0.00 -2.36 0.00 0.00 39.78 37.43 3gyr n ASN 570 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 3gyr n GLU 571 N 0.72 1.99 -0.25 -3.83 0.28 -1.00 -4.61 120.64 113.95 3gyr n GLU 571 Ca 0.18 -3.33 0.08 0.00 -0.16 0.00 0.00 57.16 53.93 3gyr n GLU 571 Cb 0.63 -1.84 0.21 0.00 1.43 0.00 0.00 31.44 31.87 3gyr n GLU 571 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3gyr n LEU 572 N -1.08 3.30 0.00 -1.84 4.77 -1.26 -4.32 117.00 116.58 3gyr n LEU 572 Ca 0.33 -2.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.31 3gyr n LEU 572 Cb 0.95 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 3gyr n LEU 572 CO 0.19 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 3gyr n GLY 573 N 0.93 3.21 3.65 -0.72 0.00 -1.26 -4.79 105.19 106.20 3gyr n GLY 573 Ca 0.16 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 3gyr n GLY 573 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gyr s HIS 574 N 4.53 3.33 0.07 1.61 3.76 -1.26 -4.52 115.29 122.80 3gyr s HIS 574 Ca 0.00 0.60 0.04 0.00 -0.15 0.00 0.00 55.06 55.55 3gyr s HIS 574 Cb 0.00 -2.60 -0.03 0.00 1.11 0.00 0.00 32.58 31.06 3gyr s HIS 574 CO 0.00 -0.12 -0.12 0.15 -0.85 0.00 0.00 174.74 173.80 3gyr s LYS 575 N 1.72 0.76 0.00 1.40 -0.14 -0.07 -2.01 119.74 121.40 3gyr s LYS 575 Ca 0.19 -0.95 0.00 0.00 -1.36 0.00 0.00 55.97 53.85 3gyr s LYS 575 Cb -0.15 -0.65 0.00 0.00 -1.68 0.00 0.00 37.83 35.35 3gyr s LYS 575 CO 0.09 0.13 0.17 -0.40 -0.76 0.00 0.00 175.35 174.59 3gyr n ASP 576 N 1.18 0.35 -3.84 2.83 5.68 -1.26 -1.45 116.55 120.03 3gyr n ASP 576 Ca -0.21 -0.93 -0.20 0.00 -0.50 0.00 0.00 54.79 52.95 3gyr n ASP 576 Cb 0.55 0.03 -0.17 0.00 -1.14 0.00 0.00 41.12 40.39 3gyr n ASP 576 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3gyr s VAL 577 N -0.03 0.42 -0.08 2.12 1.01 -1.26 -2.87 120.40 119.71 3gyr s VAL 577 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3gyr s VAL 577 Cb 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 35.90 3gyr s VAL 577 CO 0.00 0.22 -0.11 -0.36 0.00 0.00 0.00 175.10 174.85 3gyr s PHE 578 N 1.25 1.47 0.07 5.22 0.08 0.71 -4.91 117.98 121.88 3gyr s PHE 578 Ca -0.06 -0.61 -0.31 0.00 0.12 0.00 0.00 56.93 56.07 3gyr s PHE 578 Cb -0.14 -1.13 -0.09 0.00 -0.57 0.00 0.00 43.02 41.10 3gyr s PHE 578 CO -0.02 -0.36 1.70 -0.65 -0.10 0.00 0.00 175.22 175.79 3gyr s GLN 579 N 0.99 4.18 -0.58 0.44 -0.21 -1.26 -1.22 119.66 122.01 3gyr s GLN 579 Ca -0.08 2.39 0.02 0.00 0.02 0.00 0.00 55.36 57.71 3gyr s GLN 579 Cb -0.15 -3.63 0.15 0.00 1.00 0.00 0.00 33.01 30.38 3gyr s GLN 579 CO -0.00 -0.77 0.35 0.08 -2.12 0.00 0.00 175.29 172.83 3gyr s VAL 580 N 2.75 2.98 0.97 1.09 1.01 -0.03 -4.93 120.40 124.26 3gyr s VAL 580 Ca 0.76 -3.36 -0.13 0.00 0.00 0.00 0.00 61.98 59.24 3gyr s VAL 580 Cb -0.41 -3.01 0.17 0.00 0.00 0.00 0.00 36.38 33.14 3gyr s VAL 580 CO 0.33 -0.85 1.14 -2.84 0.00 0.00 0.00 175.10 172.88 3gyr s PRO 581 N -0.41 0.62 1.01 2.72 0.02 -1.26 -1.40 135.00 136.30 3gyr s PRO 581 Ca 0.18 0.23 0.00 0.00 0.02 0.00 0.00 61.00 61.44 3gyr s PRO 581 Cb -0.22 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3gyr s PRO 581 CO -0.03 -2.54 0.00 0.41 -0.33 0.00 0.00 177.00 174.51 3gyr n GLY 582 N -1.92 -1.59 3.60 0.52 0.00 -1.26 -3.91 105.19 100.63 3gyr n GLY 582 Ca 0.08 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 3gyr n GLY 582 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gyr s PRO 583 N -1.01 3.64 -0.10 1.61 0.04 -1.04 -4.17 135.00 133.97 3gyr s PRO 583 Ca 0.00 0.78 -0.30 0.00 0.04 0.00 0.00 61.00 61.52 3gyr s PRO 583 Cb 0.00 -3.97 0.12 0.00 0.04 0.00 0.00 34.50 30.69 3gyr s PRO 583 CO 0.00 -1.48 0.97 -1.14 0.04 0.00 0.00 177.00 175.38 3gyr s GLN 584 N 4.72 0.66 0.02 4.56 0.74 -0.43 -2.60 119.66 127.33 3gyr s GLN 584 Ca 0.55 -0.03 0.09 0.00 0.05 0.00 0.00 55.36 56.02 3gyr s GLN 584 Cb -0.11 0.31 -0.02 0.00 1.10 0.00 0.00 33.01 34.29 3gyr s GLN 584 CO 0.32 -0.25 -0.26 0.20 -0.55 0.00 0.00 175.29 174.75 3gyr s GLY 585 N -1.68 1.34 -0.04 2.59 0.00 0.27 0.16 107.32 109.97 3gyr s GLY 585 Ca 0.01 -1.20 0.03 0.00 0.00 0.00 0.00 44.72 43.56 3gyr s GLY 585 CO -0.03 -1.06 -0.12 -2.27 0.00 0.00 0.00 173.10 169.63 3gyr s LEU 586 N -0.98 1.78 -0.17 0.66 2.96 -0.11 -1.56 118.68 121.25 3gyr s LEU 586 Ca 0.11 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3gyr s LEU 586 Cb -0.10 -0.71 -0.01 0.00 0.50 0.00 0.00 46.19 45.88 3gyr s LEU 586 CO 0.01 0.08 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.88 3gyr s ARG 587 N 0.26 3.30 0.21 1.98 0.52 -0.57 -0.44 118.95 124.22 3gyr s ARG 587 Ca -0.06 -0.69 0.08 0.00 -0.52 0.00 0.00 55.73 54.54 3gyr s ARG 587 Cb -0.11 -2.76 -0.05 0.00 0.52 0.00 0.00 34.95 32.55 3gyr s ARG 587 CO 0.01 -0.02 -0.15 0.14 0.02 0.00 0.00 175.30 175.30 3gyr s VAL 588 N 0.96 1.81 0.01 3.52 -7.23 -0.16 0.32 120.40 119.63 3gyr s VAL 588 Ca -0.02 -2.23 0.01 0.00 -1.81 0.00 0.00 61.98 57.93 3gyr s VAL 588 Cb -0.15 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.71 3gyr s VAL 588 CO -0.01 -0.58 -0.04 -0.32 -0.31 0.00 0.00 175.10 173.84 3gyr s MET 589 N -3.63 0.34 0.20 4.82 1.75 -0.56 -0.32 119.30 121.91 3gyr s MET 589 Ca 0.23 -0.36 -0.18 0.00 -1.25 0.00 0.00 55.69 54.14 3gyr s MET 589 Cb -0.01 -0.22 0.03 0.00 2.84 0.00 0.00 34.83 37.47 3gyr s MET 589 CO 0.08 0.05 0.54 0.20 -0.65 0.00 0.00 175.02 175.23 3gyr s GLY 590 N -0.67 -0.09 -0.22 2.11 0.00 -0.71 -1.19 107.32 106.55 3gyr s GLY 590 Ca -0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.42 3gyr s GLY 590 CO -0.00 -0.25 -0.04 1.25 0.00 0.00 0.00 173.10 174.06 3gyr s LYS 591 N -3.88 3.36 -0.72 2.90 2.20 -1.25 -1.67 119.74 120.68 3gyr s LYS 591 Ca 0.09 -0.64 -0.21 0.00 -0.36 0.00 0.00 55.97 54.86 3gyr s LYS 591 Cb -0.01 -3.01 0.09 0.00 -1.51 0.00 0.00 37.83 33.39 3gyr s LYS 591 CO -0.02 -0.21 0.98 -0.06 -0.36 0.00 0.00 175.35 175.68 3gyr s PHE 592 N 1.48 2.83 -0.10 4.03 0.08 -0.33 -4.53 117.98 121.43 3gyr s PHE 592 Ca 0.06 -0.82 0.01 0.00 0.12 0.00 0.00 56.93 56.29 3gyr s PHE 592 Cb -0.14 -4.26 0.02 0.00 -0.57 0.00 0.00 43.02 38.07 3gyr s PHE 592 CO -0.03 -1.57 -0.10 0.34 -0.10 0.00 0.00 175.22 173.76 3gyr s ASP 593 N 3.68 2.09 0.00 1.36 3.68 -1.26 -0.04 116.67 126.18 3gyr s ASP 593 Ca 0.24 -0.32 0.00 0.00 2.13 0.00 0.00 52.55 54.59 3gyr s ASP 593 Cb -0.14 -0.88 0.00 0.00 -1.45 0.00 0.00 42.92 40.45 3gyr s ASP 593 CO 0.04 -0.05 0.00 0.61 0.13 0.00 0.00 175.17 175.90 3gyr n GLY 594 N 4.49 0.48 3.75 2.66 0.00 -1.26 -4.94 105.19 110.37 3gyr n GLY 594 Ca -0.17 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.12 3gyr n GLY 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyr s ALA 595 N -2.00 -1.47 0.21 4.61 0.00 -1.26 -4.79 121.76 117.06 3gyr s ALA 595 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.02 3gyr s ALA 595 Cb 0.00 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 3gyr s ALA 595 CO 0.00 -0.99 0.01 0.71 0.00 0.00 0.00 175.76 175.48 3gyr s TYR 596 N -3.59 1.44 -1.30 0.00 2.02 -1.26 -4.84 117.35 109.82 3gyr s TYR 596 Ca 0.10 -0.98 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 3gyr s TYR 596 Cb -0.03 -0.83 0.00 0.00 -0.40 0.00 0.00 41.96 40.70 3gyr s TYR 596 CO 0.02 -0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.29 3gyr n GLY 597 N -0.36 0.59 3.70 0.71 0.00 0.13 -1.33 105.19 108.62 3gyr n GLY 597 Ca -0.05 -2.12 -0.37 0.00 0.00 0.00 0.00 46.02 43.48 3gyr n GLY 597 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gyr s ARG 598 N -0.52 4.18 0.43 1.61 3.52 -1.26 0.00 118.95 126.91 3gyr s ARG 598 Ca 0.00 -0.03 0.03 0.00 -0.13 0.00 0.00 55.73 55.60 3gyr s ARG 598 Cb 0.00 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 3gyr s ARG 598 CO 0.00 0.13 0.08 -0.06 -0.81 0.00 0.00 175.30 174.65 3gyr s PHE 599 N 0.82 1.85 0.15 5.12 0.08 0.66 -4.50 117.98 122.17 3gyr s PHE 599 Ca 0.13 -1.15 0.09 0.00 0.12 0.00 0.00 56.93 56.12 3gyr s PHE 599 Cb -0.13 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 40.96 3gyr s PHE 599 CO 0.04 -0.10 -0.13 -1.64 -0.10 0.00 0.00 175.22 173.28 3gyr s MET 600 N -3.77 1.95 0.06 0.44 -1.94 -1.26 -0.81 119.30 113.96 3gyr s MET 600 Ca 0.20 -1.23 0.04 0.00 -1.71 0.00 0.00 55.69 52.99 3gyr s MET 600 Cb 0.03 -2.14 -0.03 0.00 2.01 0.00 0.00 34.83 34.70 3gyr s MET 600 CO 0.11 0.46 -0.11 1.52 -0.01 0.00 0.00 175.02 176.99 3gyr s TYR 601 N -1.47 0.98 0.17 -0.03 -0.85 0.51 -1.66 117.35 115.00 3gyr s TYR 601 Ca 0.22 -0.48 -0.23 0.00 -0.52 0.00 0.00 57.07 56.06 3gyr s TYR 601 Cb -0.10 -0.56 0.08 0.00 0.38 0.00 0.00 41.96 41.76 3gyr s TYR 601 CO 0.13 -0.00 1.04 -3.38 -1.52 0.00 0.00 175.55 171.81 3gyr s HIS 602 N -1.32 0.03 0.22 -3.49 -3.43 0.28 -0.07 115.29 107.52 3gyr s HIS 602 Ca -0.05 -0.40 -0.27 0.00 -0.80 0.00 0.00 55.06 53.53 3gyr s HIS 602 Cb -0.10 0.68 -0.09 0.00 -1.43 0.00 0.00 32.58 31.65 3gyr s HIS 602 CO 0.01 -0.88 0.87 0.00 -2.00 0.00 0.00 174.74 172.75 3gyr n HIS 604 N 1.41 1.56 -2.99 0.00 -0.00 0.30 -4.30 115.22 111.19 3gyr n HIS 604 Ca -0.03 -0.55 -0.43 0.00 0.46 0.00 0.00 57.72 57.17 3gyr n HIS 604 Cb 0.48 -0.41 -0.06 0.00 -0.12 0.00 0.00 29.99 29.88 3gyr n HIS 604 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3gyr s LEU 605 N -2.04 4.31 0.42 0.27 1.43 -1.26 -4.69 118.68 117.12 3gyr s LEU 605 Ca 0.40 -0.18 0.10 0.00 -1.03 0.00 0.00 54.13 53.42 3gyr s LEU 605 Cb 0.31 -2.91 0.93 0.00 0.03 0.00 0.00 46.19 44.55 3gyr s LEU 605 CO 0.12 -0.90 2.03 -0.07 0.23 0.00 0.00 176.35 177.75 3gyr h LEU 606 N 10.07 0.43 -1.26 1.79 3.38 -1.42 0.13 115.31 128.43 3gyr h LEU 606 Ca -0.25 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 3gyr h LEU 606 Cb 1.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3gyr h LEU 606 CO 0.95 0.29 -0.25 -0.33 0.09 0.00 0.00 178.44 179.20 3gyr h GLU 607 N 0.49 0.19 0.20 1.13 3.07 -1.92 -0.43 114.58 117.31 3gyr h GLU 607 Ca 0.20 -0.06 -0.31 0.00 -0.50 0.00 0.00 59.36 58.69 3gyr h GLU 607 Cb 0.19 -0.02 0.03 0.00 -0.84 0.00 0.00 28.75 28.11 3gyr h GLU 607 CO -0.05 0.43 -1.38 0.45 -1.40 0.00 0.00 179.01 177.06 3gyr h HIS 608 N 0.18 0.86 -0.76 4.33 3.86 -1.19 -3.18 115.15 119.24 3gyr h HIS 608 Ca 0.03 -0.61 -0.02 0.00 -1.16 0.00 0.00 60.37 58.61 3gyr h HIS 608 Cb 0.54 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.93 3gyr h HIS 608 CO 0.01 1.47 0.38 1.49 0.86 0.00 0.00 177.93 182.14 3gyr h GLU 609 N 0.15 1.09 0.00 2.45 4.81 -0.90 -0.18 114.58 122.00 3gyr h GLU 609 Ca -0.21 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3gyr h GLU 609 Cb 2.07 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 31.25 3gyr h GLU 609 CO 0.25 0.84 0.00 -0.25 -0.73 0.00 0.00 179.01 179.12 3gyr n ASP 610 N -4.40 0.00 -1.77 1.04 8.00 -0.19 -3.19 116.55 116.04 3gyr n ASP 610 Ca 0.07 0.31 -0.19 0.00 0.71 0.00 0.00 54.79 55.69 3gyr n ASP 610 Cb 0.12 -0.41 0.08 0.00 -0.02 0.00 0.00 41.12 40.89 3gyr n ASP 610 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3gyr n MET 611 N -1.41 2.98 -0.27 -1.24 2.81 -0.11 -4.66 117.12 115.22 3gyr n MET 611 Ca 0.05 -3.80 0.00 0.00 -1.81 0.00 0.00 57.70 52.15 3gyr n MET 611 Cb 0.16 -2.14 0.00 0.00 -0.71 0.00 0.00 33.22 30.53 3gyr n MET 611 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gyr n GLY 612 N -0.85 1.72 2.68 3.03 0.00 -1.19 -4.94 105.19 105.64 3gyr n GLY 612 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 3gyr n GLY 612 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3gyr n MET 613 N -2.00 2.41 -3.59 1.61 0.00 -1.01 -2.19 117.12 112.35 3gyr n MET 613 Ca 0.00 -1.87 -0.16 0.00 -0.00 0.00 0.00 57.70 55.66 3gyr n MET 613 Cb 0.00 -2.76 -0.07 0.00 0.00 0.00 0.00 33.22 30.40 3gyr n MET 613 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 3gyr s MET 614 N 3.48 0.93 -0.01 2.12 0.00 -1.26 -2.48 119.30 122.08 3gyr s MET 614 Ca 0.51 0.30 -0.06 0.00 0.00 0.00 0.00 55.69 56.45 3gyr s MET 614 Cb 0.13 0.44 0.00 0.00 0.00 0.00 0.00 34.83 35.41 3gyr s MET 614 CO -0.01 -0.26 0.12 1.03 0.00 0.00 0.00 175.02 175.89 3gyr s ARG 615 N -0.92 0.39 0.56 4.11 1.81 0.91 -2.72 118.95 123.08 3gyr s ARG 615 Ca -0.09 -0.29 -0.14 0.00 -1.72 0.00 0.00 55.73 53.49 3gyr s ARG 615 Cb -0.02 0.16 -0.06 0.00 -0.45 0.00 0.00 34.95 34.58 3gyr s ARG 615 CO 0.07 -0.08 1.01 -1.25 -0.68 0.00 0.00 175.30 174.37 3gyr s PRO 616 N -1.05 3.78 0.05 3.54 0.04 -1.26 -0.36 135.00 139.75 3gyr s PRO 616 Ca -0.11 0.87 -0.06 0.00 0.04 0.00 0.00 61.00 61.74 3gyr s PRO 616 Cb -0.06 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 3gyr s PRO 616 CO 0.01 -0.41 0.10 -0.59 0.04 0.00 0.00 177.00 176.14 3gyr s PHE 617 N -2.87 0.24 -0.09 0.56 -0.71 0.01 -4.57 117.98 110.55 3gyr s PHE 617 Ca 0.57 -0.60 0.04 0.00 -1.04 0.00 0.00 56.93 55.90 3gyr s PHE 617 Cb -0.10 -0.16 -0.01 0.00 -1.21 0.00 0.00 43.02 41.54 3gyr s PHE 617 CO 0.41 -0.41 -0.22 0.08 -1.34 0.00 0.00 175.22 173.75 3gyr s VAL 618 N -3.07 2.29 -0.15 -2.49 1.01 -0.12 -0.24 120.40 117.62 3gyr s VAL 618 Ca -0.01 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 3gyr s VAL 618 Cb 0.02 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 3gyr s VAL 618 CO -0.07 0.56 -0.14 -0.69 0.00 0.00 0.00 175.10 174.76 3gyr s VAL 619 N 0.13 2.84 0.13 2.92 1.01 0.10 -0.39 120.40 127.13 3gyr s VAL 619 Ca -0.11 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3gyr s VAL 619 Cb -0.16 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3gyr s VAL 619 CO 0.06 0.51 -0.01 -0.04 0.00 0.00 0.00 175.10 175.63 3gyr s MET 620 N 0.67 0.92 0.39 2.72 -1.94 -0.66 0.21 119.30 121.61 3gyr s MET 620 Ca -0.07 -1.41 -0.27 0.00 -1.71 0.00 0.00 55.69 52.22 3gyr s MET 620 Cb -0.16 -0.07 -0.10 0.00 2.01 0.00 0.00 34.83 36.51 3gyr s MET 620 CO 0.02 -0.12 1.44 -2.14 -0.01 0.00 0.00 175.02 174.21 3gyr s PRO 621 N -3.92 4.05 0.37 2.03 0.02 -1.26 0.22 135.00 136.51 3gyr s PRO 621 Ca 0.18 2.47 0.17 0.00 0.02 0.00 0.00 61.00 63.84 3gyr s PRO 621 Cb 0.06 -2.90 1.08 0.00 0.02 0.00 0.00 34.50 32.76 3gyr s PRO 621 CO -0.01 -0.54 1.72 -1.35 -0.33 0.00 0.00 177.00 176.49 3gyr h PRO 622 N 2.89 0.39 0.00 5.54 0.11 -1.91 -1.04 132.00 137.99 3gyr h PRO 622 Ca -0.51 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 3gyr h PRO 622 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3gyr h PRO 622 CO 0.64 0.26 -0.32 0.93 -0.21 0.00 0.00 178.00 179.29 3gyr h GLU 623 N 0.40 0.00 0.05 1.05 3.07 -1.97 -2.31 114.58 114.87 3gyr h GLU 623 Ca 0.66 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 59.26 3gyr h GLU 623 Cb 1.58 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.47 3gyr h GLU 623 CO -0.41 0.32 -1.25 0.00 -1.40 0.00 0.00 179.01 176.27 3gyr h ALA 624 N 1.68 0.33 -0.99 3.43 0.00 -1.58 -3.23 119.26 118.91 3gyr h ALA 624 Ca -0.00 -1.02 0.21 0.00 0.00 0.00 0.00 54.91 54.10 3gyr h ALA 624 Cb 0.58 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 3gyr h ALA 624 CO 0.04 1.21 0.62 1.25 0.00 0.00 0.00 179.25 182.37 3gyr h LEU 625 N 0.03 0.63 -1.52 0.00 5.85 -0.78 0.22 115.31 119.74 3gyr h LEU 625 Ca -0.12 0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.82 3gyr h LEU 625 Cb 1.90 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.88 3gyr h LEU 625 CO 0.15 0.20 0.70 0.11 -0.34 0.00 0.00 178.44 179.26 3gyr h LYS 626 N 0.60 0.00 -0.44 1.25 1.79 -1.54 0.27 116.57 118.50 3gyr h LYS 626 Ca 0.56 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.96 3gyr h LYS 626 Cb 1.10 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.71 3gyr h LYS 626 CO -0.32 0.00 0.05 1.19 -1.08 0.00 0.00 179.45 179.29 3gyr n PHE 627 N -3.30 1.52 0.00 -1.35 3.72 0.77 -5.17 117.46 113.66 3gyr n PHE 627 Ca 0.09 -1.01 0.00 0.00 -0.05 0.00 0.00 57.45 56.49 3gyr n PHE 627 Cb 0.88 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 3gyr n PHE 627 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46