#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 0.22 -0.81 0.00 -0.02 -1.26 -1.28 135.00 131.86 3gyr n PRO 38 Ca 0.00 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3gyr n PRO 38 Cb 0.00 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 1.76 0.66 3.81 -1.23 0.00 -1.26 -5.05 105.19 103.88 3gyr n GLY 39 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.19 3.15 0.37 1.61 2.02 -0.40 -4.80 118.70 120.46 3gyr s GLU 40 Ca 0.00 -0.44 -0.25 0.00 0.02 0.00 0.00 54.97 54.30 3gyr s GLU 40 Cb 0.00 -2.92 -0.09 0.00 0.10 0.00 0.00 34.13 31.22 3gyr s GLU 40 CO 0.00 0.66 1.03 -0.51 0.02 0.00 0.00 175.26 176.46 3gyr s LEU 41 N -1.74 4.22 -0.28 1.80 1.43 -1.26 -4.88 118.68 117.98 3gyr s LEU 41 Ca 0.23 2.02 -0.25 0.00 -1.03 0.00 0.00 54.13 55.09 3gyr s LEU 41 Cb -0.12 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 42.00 3gyr s LEU 41 CO 0.14 -0.37 0.88 -0.89 0.23 0.00 0.00 176.35 176.35 3gyr s THR 42 N -1.61 4.75 0.67 5.49 2.01 -1.26 -5.03 115.64 120.67 3gyr s THR 42 Ca 0.55 1.52 -0.16 0.00 0.31 0.00 0.00 61.69 63.90 3gyr s THR 42 Cb -0.22 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.10 3gyr s THR 42 CO 0.28 -0.21 1.20 -2.16 -0.69 0.00 0.00 174.62 173.03 3gyr s PRO 43 N 3.06 2.52 -0.89 4.92 0.04 -1.26 -3.74 135.00 139.64 3gyr s PRO 43 Ca 0.37 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 3gyr s PRO 43 Cb -0.14 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3gyr s PRO 43 CO 0.10 -1.54 0.46 1.19 0.04 0.00 0.00 177.00 177.25 3gyr n PHE 44 N -2.29 -1.32 0.43 0.56 0.99 0.19 -4.92 117.46 111.11 3gyr n PHE 44 Ca 0.13 0.39 0.11 0.00 -0.00 0.00 0.00 57.45 58.08 3gyr n PHE 44 Cb 0.50 -3.17 -0.06 0.00 -1.00 0.00 0.00 39.48 35.75 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 -3.15 3.37 -2.78 4.37 0.00 -1.25 -4.71 120.51 116.36 3gyr n ALA 45 Ca -0.05 -0.45 -0.16 0.00 0.00 0.00 0.00 53.44 52.78 3gyr n ALA 45 Cb 0.56 -0.89 -0.12 0.00 0.00 0.00 0.00 19.45 19.00 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 -3.27 0.78 0.51 0.00 0.00 -1.26 -4.94 121.76 113.57 3gyr s ALA 46 Ca 0.01 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 51.00 3gyr s ALA 46 Cb 0.14 -0.04 -0.07 0.00 0.00 0.00 0.00 23.12 23.15 3gyr s ALA 46 CO 0.84 0.07 1.08 -1.25 0.00 0.00 0.00 175.76 176.50 3gyr s PRO 47 N -1.38 3.63 0.47 0.00 0.04 -1.26 -1.10 135.00 135.40 3gyr s PRO 47 Ca -0.05 1.47 -0.25 0.00 0.04 0.00 0.00 61.00 62.22 3gyr s PRO 47 Cb -0.09 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 3gyr s PRO 47 CO 0.01 -0.60 1.43 -1.17 0.04 0.00 0.00 177.00 176.71 3gyr s LEU 48 N -3.59 4.06 0.34 -3.56 2.96 0.24 -4.72 118.68 114.42 3gyr s LEU 48 Ca 0.69 2.93 0.09 0.00 -0.22 0.00 0.00 54.13 57.62 3gyr s LEU 48 Cb -0.20 -3.99 -0.06 0.00 0.50 0.00 0.00 46.19 42.44 3gyr s LEU 48 CO 0.23 -1.28 -0.04 0.42 -1.32 0.00 0.00 176.35 174.36 3gyr s THR 49 N -1.21 2.49 -0.02 3.68 -4.23 -1.26 -5.00 115.64 110.09 3gyr s THR 49 Ca 0.63 -2.08 0.06 0.00 -1.18 0.00 0.00 61.69 59.13 3gyr s THR 49 Cb -0.44 -2.72 -0.01 0.00 1.34 0.00 0.00 72.50 70.67 3gyr s THR 49 CO 0.56 -0.21 -0.21 0.68 -0.54 0.00 0.00 174.62 174.90 3gyr s VAL 50 N -2.55 1.63 0.55 2.29 -7.23 -1.26 -4.78 120.40 109.05 3gyr s VAL 50 Ca 0.34 -0.88 -0.18 0.00 -1.81 0.00 0.00 61.98 59.45 3gyr s VAL 50 Cb 0.01 -1.36 -0.09 0.00 0.56 0.00 0.00 36.38 35.49 3gyr s VAL 50 CO 0.18 0.46 0.47 -2.65 -0.31 0.00 0.00 175.10 173.25 3gyr n PRO 51 N 2.63 0.48 -2.07 4.82 -0.02 -1.26 -4.92 135.00 134.65 3gyr n PRO 51 Ca -0.15 0.19 -0.35 0.00 -2.02 0.00 0.00 63.50 61.16 3gyr n PRO 51 Cb 0.53 -1.63 0.02 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.95 3.07 0.06 0.52 0.04 -1.26 -4.51 135.00 130.96 3gyr s PRO 52 Ca 0.67 1.72 -0.26 0.00 0.04 0.00 0.00 61.00 63.17 3gyr s PRO 52 Cb -0.46 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 3gyr s PRO 52 CO 0.56 -1.10 0.81 0.08 0.04 0.00 0.00 177.00 177.39 3gyr s VAL 53 N -1.71 4.69 -0.10 -0.36 1.01 -1.26 -1.58 120.40 121.08 3gyr s VAL 53 Ca 0.75 1.74 0.02 0.00 0.00 0.00 0.00 61.98 64.49 3gyr s VAL 53 Cb -0.27 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 3gyr s VAL 53 CO 0.32 0.35 -0.18 -0.22 0.00 0.00 0.00 175.10 175.37 3gyr s LEU 54 N 0.00 2.47 -0.56 3.92 2.96 0.22 -4.91 118.68 122.79 3gyr s LEU 54 Ca 0.41 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 3gyr s LEU 54 Cb -0.21 -1.52 0.15 0.00 0.50 0.00 0.00 46.19 45.11 3gyr s LEU 54 CO 0.25 0.20 0.35 -0.13 -1.32 0.00 0.00 176.35 175.70 3gyr s ARG 55 N 0.13 1.91 0.19 1.98 0.52 -1.26 -0.88 118.95 121.54 3gyr s ARG 55 Ca -0.09 -2.72 0.26 0.00 -0.52 0.00 0.00 55.73 52.66 3gyr s ARG 55 Cb -0.15 -2.96 0.86 0.00 0.52 0.00 0.00 34.95 33.22 3gyr s ARG 55 CO 0.06 -1.22 1.78 -0.35 0.02 0.00 0.00 175.30 175.59 3gyr n PRO 56 N 2.74 0.23 -1.66 3.54 -0.04 -1.26 -4.88 135.00 133.67 3gyr n PRO 56 Ca 0.14 0.21 -0.45 0.00 -0.04 0.00 0.00 63.50 63.36 3gyr n PRO 56 Cb 0.35 -1.78 -0.03 0.00 -0.04 0.00 0.00 33.50 32.00 3gyr n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gyr n ALA 57 N -1.76 0.95 -2.53 0.55 0.00 -1.26 -4.90 120.51 111.56 3gyr n ALA 57 Ca 0.05 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.83 3gyr n ALA 57 Cb 0.41 -2.26 -0.07 0.00 0.00 0.00 0.00 19.45 17.53 3gyr n ALA 57 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gyr s SER 58 N 0.30 0.14 0.40 0.00 1.04 -1.26 -5.05 113.70 109.28 3gyr s SER 58 Ca 0.69 -0.69 0.18 0.00 0.48 0.00 0.00 55.95 56.61 3gyr s SER 58 Cb -0.67 0.34 0.85 0.00 0.10 0.00 0.00 66.02 66.63 3gyr s SER 58 CO 0.49 -0.73 1.83 0.44 0.98 0.00 0.00 173.24 176.25 3gyr h ASP 59 N 2.76 0.00 -3.33 7.02 3.32 -1.98 -3.38 116.42 120.84 3gyr h ASP 59 Ca -0.34 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 55.98 3gyr h ASP 59 Cb 1.20 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.51 3gyr h ASP 59 CO 0.56 0.33 -0.36 -1.61 -1.72 0.00 0.00 179.24 176.44 3gyr s GLU 60 N -3.94 2.88 0.48 3.56 2.02 -1.26 -4.95 118.70 117.48 3gyr s GLU 60 Ca -0.02 -1.40 0.22 0.00 0.02 0.00 0.00 54.97 53.79 3gyr s GLU 60 Cb 0.13 -4.05 1.20 0.00 0.10 0.00 0.00 34.13 31.51 3gyr s GLU 60 CO 0.68 -1.03 1.99 -0.24 0.02 0.00 0.00 175.26 176.69 3gyr h VAL 61 N 5.85 0.78 0.00 2.63 3.04 -1.91 -1.67 116.25 124.97 3gyr h VAL 61 Ca -0.27 -0.73 0.00 0.00 -1.01 0.00 0.00 66.70 64.69 3gyr h VAL 61 Cb 1.10 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 3gyr h VAL 61 CO 0.86 0.18 0.00 0.35 -1.01 0.00 0.00 177.57 177.95 3gyr n THR 62 N -3.81 0.75 -2.85 3.17 -2.24 -1.26 -4.47 114.28 103.57 3gyr n THR 62 Ca -0.02 0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.50 3gyr n THR 62 Cb 0.29 -0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 67.57 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 -3.06 3.30 0.57 -0.78 3.52 -0.63 -5.03 118.95 116.84 3gyr s ARG 63 Ca 0.08 -0.34 -0.16 0.00 -0.13 0.00 0.00 55.73 55.18 3gyr s ARG 63 Cb 0.12 -4.07 -0.05 0.00 -1.56 0.00 0.00 34.95 29.38 3gyr s ARG 63 CO 0.36 -1.51 1.04 -1.21 -0.81 0.00 0.00 175.30 173.16 3gyr s GLU 64 N 3.92 3.51 -0.23 5.12 2.02 -1.26 -4.84 118.70 126.94 3gyr s GLU 64 Ca 0.29 1.13 -0.19 0.00 0.02 0.00 0.00 54.97 56.22 3gyr s GLU 64 Cb -0.13 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 3gyr s GLU 64 CO 0.18 -0.65 0.57 0.99 0.02 0.00 0.00 175.26 176.37 3gyr s THR 65 N -2.51 5.05 -0.12 3.63 2.01 -0.73 -4.94 115.64 118.04 3gyr s THR 65 Ca 0.62 1.02 -0.28 0.00 0.31 0.00 0.00 61.69 63.36 3gyr s THR 65 Cb -0.14 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 3gyr s THR 65 CO 0.35 0.10 0.96 -0.70 -0.69 0.00 0.00 174.62 174.64 3gyr s GLU 66 N 2.10 4.39 -0.34 4.92 2.12 -1.26 -1.18 118.70 129.45 3gyr s GLU 66 Ca 0.25 1.29 -0.01 0.00 0.36 0.00 0.00 54.97 56.86 3gyr s GLU 66 Cb -0.16 -3.55 0.08 0.00 0.26 0.00 0.00 34.13 30.76 3gyr s GLU 66 CO 0.09 -0.32 0.06 0.42 -0.54 0.00 0.00 175.26 174.97 3gyr s ILE 67 N 2.05 2.89 -0.15 -3.70 1.01 -0.16 -4.94 121.20 118.21 3gyr s ILE 67 Ca 0.46 -1.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.19 3gyr s ILE 67 Cb -0.18 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 3gyr s ILE 67 CO 0.16 -0.36 0.35 0.00 0.00 0.00 0.00 174.94 175.09 3gyr s ALA 68 N 1.15 3.56 -0.13 9.38 0.00 -1.26 -1.07 121.76 133.39 3gyr s ALA 68 Ca 0.01 -0.37 -0.24 0.00 0.00 0.00 0.00 51.96 51.36 3gyr s ALA 68 Cb -0.21 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 3gyr s ALA 68 CO -0.03 0.07 0.76 -0.51 0.00 0.00 0.00 175.76 176.05 3gyr s LEU 69 N 0.48 4.23 0.05 0.00 1.02 -0.20 0.78 118.68 125.04 3gyr s LEU 69 Ca 0.19 1.15 0.01 0.00 0.02 0.00 0.00 54.13 55.51 3gyr s LEU 69 Cb -0.14 -3.14 -0.03 0.00 0.02 0.00 0.00 46.19 42.90 3gyr s LEU 69 CO 0.06 -0.27 -0.05 -0.13 0.02 0.00 0.00 176.35 175.98 3gyr s ARG 70 N 1.55 0.58 0.40 1.70 0.52 -0.31 -1.61 118.95 121.78 3gyr s ARG 70 Ca 0.37 -0.98 -0.25 0.00 -0.52 0.00 0.00 55.73 54.35 3gyr s ARG 70 Cb -0.17 -0.07 -0.08 0.00 0.52 0.00 0.00 34.95 35.15 3gyr s ARG 70 CO 0.15 -0.03 1.19 -2.14 0.02 0.00 0.00 175.30 174.50 3gyr s PRO 71 N -2.65 4.03 0.01 3.54 0.02 -1.26 -0.67 135.00 138.01 3gyr s PRO 71 Ca -0.02 1.90 -0.12 0.00 0.02 0.00 0.00 61.00 62.78 3gyr s PRO 71 Cb -0.02 -2.69 0.01 0.00 0.02 0.00 0.00 34.50 31.83 3gyr s PRO 71 CO -0.04 -0.36 0.25 -0.08 -0.33 0.00 0.00 177.00 176.45 3gyr s THR 72 N -1.38 0.08 -0.19 0.99 -1.32 0.36 -4.87 115.64 109.30 3gyr s THR 72 Ca 0.57 -0.63 -0.06 0.00 -1.21 0.00 0.00 61.69 60.37 3gyr s THR 72 Cb -0.32 -0.69 -0.03 0.00 -1.51 0.00 0.00 72.50 69.95 3gyr s THR 72 CO 0.40 -0.35 0.01 0.26 -2.21 0.00 0.00 174.62 172.74 3gyr s TRP 73 N -1.78 3.08 0.07 9.09 0.52 -1.26 -0.72 118.94 127.95 3gyr s TRP 73 Ca -0.11 -0.31 0.08 0.00 0.02 0.00 0.00 56.10 55.79 3gyr s TRP 73 Cb -0.04 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 30.17 3gyr s TRP 73 CO 0.01 -0.13 -0.22 0.14 0.02 0.00 0.00 176.95 176.77 3gyr s VAL 74 N 0.82 1.80 -0.77 4.03 -7.23 0.05 -4.85 120.40 114.25 3gyr s VAL 74 Ca 0.01 -1.39 -0.15 0.00 -1.81 0.00 0.00 61.98 58.65 3gyr s VAL 74 Cb -0.14 -1.59 0.19 0.00 0.56 0.00 0.00 36.38 35.40 3gyr s VAL 74 CO 0.02 0.13 0.74 -0.60 -0.31 0.00 0.00 175.10 175.08 3gyr s ARG 75 N -1.50 3.46 0.42 4.82 6.06 -1.26 0.33 118.95 131.28 3gyr s ARG 75 Ca 0.08 -2.22 0.14 0.00 -2.50 0.00 0.00 55.73 51.23 3gyr s ARG 75 Cb -0.09 -4.43 1.01 0.00 0.06 0.00 0.00 34.95 31.50 3gyr s ARG 75 CO 0.03 -1.34 1.94 -0.07 -2.50 0.00 0.00 175.30 173.36 3gyr h LEU 76 N 8.26 0.41 -7.00 -0.88 3.38 -1.85 -3.46 115.31 114.18 3gyr h LEU 76 Ca 0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3gyr h LEU 76 Cb 1.05 -0.07 -0.23 0.00 0.09 0.00 0.00 40.66 41.51 3gyr h LEU 76 CO 0.85 0.23 0.23 -2.28 0.09 0.00 0.00 178.44 177.56 3gyr s HIS 77 N -5.43 -0.69 0.53 1.13 5.04 -1.26 -0.56 115.29 114.05 3gyr s HIS 77 Ca -0.08 1.67 0.32 0.00 -1.54 0.00 0.00 55.06 55.43 3gyr s HIS 77 Cb 0.20 0.30 1.47 0.00 0.04 0.00 0.00 32.58 34.60 3gyr s HIS 77 CO 0.76 -0.34 1.86 -1.35 -2.34 0.00 0.00 174.74 173.33 3gyr h PRO 78 N 4.69 0.03 -0.28 2.88 0.11 -1.92 0.10 132.00 137.63 3gyr h PRO 78 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3gyr h PRO 78 Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gyr h PRO 78 CO 0.08 0.02 0.00 1.04 -0.21 0.00 0.00 178.00 178.93 3gyr n GLN 79 N -4.27 1.79 -4.23 1.05 6.02 -1.26 -4.86 117.38 111.63 3gyr n GLN 79 Ca 0.21 -1.20 -0.27 0.00 -0.01 0.00 0.00 57.00 55.72 3gyr n GLN 79 Cb 1.03 -1.33 -0.08 0.00 1.02 0.00 0.00 30.24 30.88 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 -1.25 3.22 0.91 1.08 1.43 0.36 -5.04 118.68 119.38 3gyr s LEU 80 Ca 0.28 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 3gyr s LEU 80 Cb 0.15 -1.89 0.13 0.00 0.03 0.00 0.00 46.19 44.61 3gyr s LEU 80 CO 0.21 0.10 1.10 -2.16 0.23 0.00 0.00 176.35 175.83 3gyr s PRO 81 N -2.84 1.19 0.54 1.29 0.04 -1.26 -4.81 135.00 129.14 3gyr s PRO 81 Ca 0.26 0.56 -0.22 0.00 0.04 0.00 0.00 61.00 61.65 3gyr s PRO 81 Cb -0.09 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 3gyr s PRO 81 CO 0.17 -2.22 1.36 -2.14 0.04 0.00 0.00 177.00 174.21 3gyr s PRO 82 N -5.08 3.19 -0.13 0.56 0.02 -1.26 -4.64 135.00 127.66 3gyr s PRO 82 Ca 0.63 2.25 -0.03 0.00 0.02 0.00 0.00 61.00 63.88 3gyr s PRO 82 Cb -0.17 -2.29 -0.03 0.00 0.02 0.00 0.00 34.50 32.04 3gyr s PRO 82 CO 0.56 -1.16 -0.04 0.99 -0.33 0.00 0.00 177.00 177.02 3gyr s THR 83 N -1.30 3.91 0.00 0.99 2.01 0.15 -4.87 115.64 116.54 3gyr s THR 83 Ca 0.71 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 3gyr s THR 83 Cb -0.41 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 3gyr s THR 83 CO 0.48 0.53 1.11 -0.22 -0.69 0.00 0.00 174.62 175.84 3gyr s LEU 84 N -0.04 4.34 0.17 4.42 2.96 -1.26 -0.77 118.68 128.49 3gyr s LEU 84 Ca 0.01 1.82 -0.03 0.00 -0.22 0.00 0.00 54.13 55.71 3gyr s LEU 84 Cb -0.13 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 3gyr s LEU 84 CO 0.03 -0.42 0.14 -0.04 -1.32 0.00 0.00 176.35 174.74 3gyr s MET 85 N 1.36 1.10 -0.12 1.98 -1.94 0.10 -4.80 119.30 116.98 3gyr s MET 85 Ca 0.55 -1.46 -0.01 0.00 -1.71 0.00 0.00 55.69 53.06 3gyr s MET 85 Cb -0.25 0.29 -0.02 0.00 2.01 0.00 0.00 34.83 36.86 3gyr s MET 85 CO 0.26 -0.36 -0.09 -1.58 -0.01 0.00 0.00 175.02 173.25 3gyr s TRP 86 N -4.08 2.90 0.02 -0.03 0.51 0.42 -0.49 118.94 118.19 3gyr s TRP 86 Ca 0.29 -0.33 0.04 0.00 -2.12 0.00 0.00 56.10 53.98 3gyr s TRP 86 Cb 0.06 -1.83 -0.02 0.00 -0.81 0.00 0.00 33.47 30.88 3gyr s TRP 86 CO 0.06 0.01 -0.11 0.20 -0.51 0.00 0.00 176.95 176.60 3gyr s GLY 87 N -0.03 0.61 0.07 0.98 0.00 0.15 -3.50 107.32 105.60 3gyr s GLY 87 Ca -0.01 -0.63 -0.31 0.00 0.00 0.00 0.00 44.72 43.77 3gyr s GLY 87 CO 0.03 -0.59 1.46 -0.19 0.00 0.00 0.00 173.10 173.81 3gyr s TYR 88 N -0.61 2.92 -0.98 1.90 2.02 -1.15 -1.16 117.35 120.27 3gyr s TYR 88 Ca 0.01 0.75 -0.00 0.00 -0.37 0.00 0.00 57.07 57.46 3gyr s TYR 88 Cb -0.06 -3.75 0.00 0.00 -0.40 0.00 0.00 41.96 37.75 3gyr s TYR 88 CO 0.00 -2.78 0.01 -0.25 -1.57 0.00 0.00 175.55 170.96 3gyr n ASP 89 N 4.82 -3.70 -0.67 2.29 8.00 0.23 -0.49 116.55 127.03 3gyr n ASP 89 Ca 0.13 0.21 -0.09 0.00 0.71 0.00 0.00 54.79 55.75 3gyr n ASP 89 Cb 0.42 -3.16 -0.04 0.00 -0.02 0.00 0.00 41.12 38.33 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 -0.79 1.00 3.47 0.44 0.00 -0.85 -4.98 105.19 103.48 3gyr n GLY 90 Ca -0.13 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.50 2.89 -0.17 1.61 -1.52 0.36 -4.84 119.66 115.48 3gyr s GLN 91 Ca 0.00 -0.65 -0.00 0.00 -1.95 0.00 0.00 55.36 52.76 3gyr s GLN 91 Cb 0.00 -2.53 0.04 0.00 -0.22 0.00 0.00 33.01 30.30 3gyr s GLN 91 CO 0.00 0.49 -0.06 0.08 -0.25 0.00 0.00 175.29 175.56 3gyr s VAL 92 N -0.37 1.18 0.84 1.09 1.01 -1.26 -2.95 120.40 119.94 3gyr s VAL 92 Ca 0.04 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 3gyr s VAL 92 Cb -0.12 -1.36 0.08 0.00 0.00 0.00 0.00 36.38 34.97 3gyr s VAL 92 CO 0.02 0.11 1.00 -2.65 0.00 0.00 0.00 175.10 173.58 3gyr n PRO 93 N 4.84 -0.01 -0.64 2.72 -0.02 -1.26 -4.33 135.00 136.30 3gyr n PRO 93 Ca -0.12 0.07 -0.29 0.00 -2.02 0.00 0.00 63.50 61.14 3gyr n PRO 93 Cb 0.47 -2.27 0.24 0.00 -0.02 0.00 0.00 33.50 31.92 3gyr n PRO 93 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3gyr s GLY 94 N -2.14 1.56 0.65 -1.23 0.00 0.50 -4.77 107.32 101.89 3gyr s GLY 94 Ca 0.69 -0.10 -0.17 0.00 0.00 0.00 0.00 44.72 45.13 3gyr s GLY 94 CO 0.56 0.58 1.22 2.56 0.00 0.00 0.00 173.10 178.02 3gyr s PRO 95 N -4.54 2.64 -0.38 2.90 0.04 -1.26 -4.42 135.00 129.99 3gyr s PRO 95 Ca 0.68 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 63.27 3gyr s PRO 95 Cb -0.24 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.43 3gyr s PRO 95 CO 0.63 -1.47 1.25 0.99 0.04 0.00 0.00 177.00 178.44 3gyr s THR 96 N -1.69 4.16 0.16 1.26 2.01 -0.61 -4.25 115.64 116.67 3gyr s THR 96 Ca 0.77 1.26 -0.23 0.00 0.31 0.00 0.00 61.69 63.80 3gyr s THR 96 Cb -0.31 -4.33 -0.08 0.00 0.01 0.00 0.00 72.50 67.79 3gyr s THR 96 CO 0.38 -0.68 0.74 -0.63 -0.69 0.00 0.00 174.62 173.73 3gyr s ILE 97 N 4.53 4.45 -0.05 1.82 1.01 -0.80 0.71 121.20 132.87 3gyr s ILE 97 Ca 0.53 1.56 0.02 0.00 0.00 0.00 0.00 60.65 62.77 3gyr s ILE 97 Cb -0.13 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.30 3gyr s ILE 97 CO 0.26 0.48 -0.09 -0.70 0.00 0.00 0.00 174.94 174.90 3gyr s GLU 98 N -1.27 1.24 0.11 2.79 2.12 -0.06 -0.76 118.70 122.87 3gyr s GLU 98 Ca 0.36 -0.27 -0.03 0.00 0.36 0.00 0.00 54.97 55.38 3gyr s GLU 98 Cb -0.22 -1.10 -0.03 0.00 0.26 0.00 0.00 34.13 33.04 3gyr s GLU 98 CO 0.24 -0.00 0.09 0.14 -0.54 0.00 0.00 175.26 175.19 3gyr s VAL 99 N 0.69 0.13 0.04 3.70 -7.23 -0.86 -4.35 120.40 112.51 3gyr s VAL 99 Ca -0.12 -1.70 -0.00 0.00 -1.81 0.00 0.00 61.98 58.35 3gyr s VAL 99 Cb -0.14 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 3gyr s VAL 99 CO 0.02 -0.61 0.17 -0.13 -0.31 0.00 0.00 175.10 174.24 3gyr s ARG 100 N -3.98 3.32 0.05 4.82 0.52 -1.26 -1.07 118.95 121.36 3gyr s ARG 100 Ca 0.16 -0.45 -0.38 0.00 -0.52 0.00 0.00 55.73 54.54 3gyr s ARG 100 Cb 0.07 -2.99 -0.18 0.00 0.52 0.00 0.00 34.95 32.36 3gyr s ARG 100 CO -0.03 0.63 1.18 -2.13 0.02 0.00 0.00 175.30 174.96 3gyr n ARG 101 N 0.59 0.58 0.00 3.54 0.63 0.11 -1.01 116.66 121.10 3gyr n ARG 101 Ca -0.08 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 3gyr n ARG 101 Cb 0.52 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 31.67 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 1.99 2.51 3.59 5.14 0.00 0.94 -4.97 105.19 114.39 3gyr n GLY 102 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.42 3.54 -0.03 1.61 -0.21 -0.18 -4.92 119.66 119.05 3gyr s GLN 103 Ca 0.00 0.69 -0.30 0.00 0.02 0.00 0.00 55.36 55.77 3gyr s GLN 103 Cb 0.00 -4.02 -0.02 0.00 1.00 0.00 0.00 33.01 29.96 3gyr s GLN 103 CO 0.00 -1.62 0.99 0.50 -2.12 0.00 0.00 175.29 173.04 3gyr s ARG 104 N 4.97 4.52 -0.01 2.91 3.52 -1.26 -4.50 118.95 129.09 3gyr s ARG 104 Ca 0.55 1.41 0.03 0.00 -0.13 0.00 0.00 55.73 57.59 3gyr s ARG 104 Cb -0.11 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 29.79 3gyr s ARG 104 CO 0.30 -0.13 -0.11 0.08 -0.81 0.00 0.00 175.30 174.63 3gyr s VAL 105 N 1.31 0.87 -0.08 7.11 1.01 -0.77 -4.72 120.40 125.13 3gyr s VAL 105 Ca 0.51 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.07 3gyr s VAL 105 Cb -0.20 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.44 3gyr s VAL 105 CO 0.25 0.25 -0.18 -0.13 0.00 0.00 0.00 175.10 175.29 3gyr s ARG 106 N -0.13 2.33 -0.03 2.72 0.52 -1.26 -0.07 118.95 123.04 3gyr s ARG 106 Ca 0.02 -0.65 0.03 0.00 -0.52 0.00 0.00 55.73 54.61 3gyr s ARG 106 Cb -0.06 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.58 3gyr s ARG 106 CO -0.00 0.12 -0.11 0.42 0.02 0.00 0.00 175.30 175.75 3gyr s ILE 107 N 0.46 0.96 -0.56 1.52 1.01 -0.07 -1.77 121.20 122.75 3gyr s ILE 107 Ca -0.16 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 59.93 3gyr s ILE 107 Cb -0.16 -0.84 0.14 0.00 0.01 0.00 0.00 42.46 41.61 3gyr s ILE 107 CO 0.06 0.29 0.45 0.00 0.00 0.00 0.00 174.94 175.75 3gyr s ALA 108 N 0.17 3.58 -0.49 9.38 0.00 -0.32 -0.60 121.76 133.47 3gyr s ALA 108 Ca -0.04 -2.74 -0.28 0.00 0.00 0.00 0.00 51.96 48.91 3gyr s ALA 108 Cb -0.10 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 20.02 3gyr s ALA 108 CO 0.01 -2.01 1.50 -1.58 0.00 0.00 0.00 175.76 173.68 3gyr s TRP 109 N 1.07 2.21 -0.24 0.00 0.52 -0.09 -0.98 118.94 121.42 3gyr s TRP 109 Ca 0.08 0.58 0.02 0.00 0.02 0.00 0.00 56.10 56.81 3gyr s TRP 109 Cb -0.24 -4.31 0.05 0.00 -1.15 0.00 0.00 33.47 27.82 3gyr s TRP 109 CO -0.02 -2.11 -0.12 0.99 0.02 0.00 0.00 176.95 175.71 3gyr s THR 110 N 6.23 2.18 -0.45 2.01 2.01 -0.23 -0.58 115.64 126.80 3gyr s THR 110 Ca 0.59 -1.49 -0.28 0.00 0.31 0.00 0.00 61.69 60.83 3gyr s THR 110 Cb -0.13 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 3gyr s THR 110 CO 0.28 0.08 1.81 0.21 -0.69 0.00 0.00 174.62 176.31 3gyr s ASN 111 N 1.14 5.64 -0.18 3.53 3.84 -0.43 -1.04 114.94 127.45 3gyr s ASN 111 Ca -0.06 0.88 0.16 0.00 0.21 0.00 0.00 52.86 54.05 3gyr s ASN 111 Cb -0.19 -2.53 0.46 0.00 -0.55 0.00 0.00 41.25 38.44 3gyr s ASN 111 CO -0.06 -1.98 1.34 0.54 -2.79 0.00 0.00 177.10 174.15 3gyr n ARG 112 N 8.71 2.26 -2.62 0.43 5.12 -0.64 0.92 116.66 130.85 3gyr n ARG 112 Ca 0.22 -2.83 -0.43 0.00 -1.93 0.00 0.00 57.85 52.88 3gyr n ARG 112 Cb 0.49 -1.74 -0.02 0.00 -1.16 0.00 0.00 32.46 30.03 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 -2.92 4.12 0.19 0.55 1.01 -1.09 -4.75 121.20 118.32 3gyr s ILE 113 Ca 0.40 0.94 -0.32 0.00 0.00 0.00 0.00 60.65 61.66 3gyr s ILE 113 Cb 0.33 -4.67 -0.15 0.00 0.01 0.00 0.00 42.46 37.98 3gyr s ILE 113 CO 0.05 -1.21 1.14 -2.65 0.00 0.00 0.00 174.94 172.27 3gyr n PRO 114 N 8.14 1.20 -1.59 2.79 -0.02 -1.26 -4.55 135.00 139.72 3gyr n PRO 114 Ca 0.09 0.43 -0.44 0.00 -2.02 0.00 0.00 63.50 61.56 3gyr n PRO 114 Cb 0.49 -1.90 -0.01 0.00 -0.02 0.00 0.00 33.50 32.06 3gyr n PRO 114 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3gyr n LYS 115 N 1.59 1.34 -0.04 -0.52 5.02 -1.26 -1.92 118.16 122.37 3gyr n LYS 115 Ca 0.14 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 3gyr n LYS 115 Cb 0.26 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 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 1.23 1.76 3.57 0.72 0.00 -1.26 -5.03 105.19 106.17 3gyr n GLY 116 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 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 1.07 -4.73 1.61 7.64 -0.81 -4.93 113.62 113.48 3gyr n SER 117 Ca 0.00 1.17 -0.42 0.00 1.01 0.00 0.00 58.87 60.63 3gyr n SER 117 Cb 0.00 -1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 61.92 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 -1.41 4.28 0.10 1.43 2.12 -1.26 -4.95 118.70 119.01 3gyr s GLU 118 Ca 0.60 2.22 -0.31 0.00 0.36 0.00 0.00 54.97 57.85 3gyr s GLU 118 Cb -0.73 -3.17 -0.08 0.00 0.26 0.00 0.00 34.13 30.41 3gyr s GLU 118 CO 0.59 -0.46 1.39 -0.47 -0.54 0.00 0.00 175.26 175.77 3gyr s TYR 119 N 0.65 3.19 -0.08 5.30 5.04 -1.26 -4.93 117.35 125.26 3gyr s TYR 119 Ca 0.64 0.93 0.24 0.00 -2.44 0.00 0.00 57.07 56.44 3gyr s TYR 119 Cb -0.40 -3.68 0.67 0.00 0.35 0.00 0.00 41.96 38.90 3gyr s TYR 119 CO 0.35 -2.39 1.72 -1.35 -1.34 0.00 0.00 175.55 172.55 3gyr h PRO 120 N 6.96 0.00 -5.14 4.97 0.11 -1.93 -3.43 132.00 133.53 3gyr h PRO 120 Ca -0.42 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.05 3gyr h PRO 120 Cb 1.21 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.08 3gyr h PRO 120 CO 0.87 0.18 -0.67 0.08 -0.21 0.00 0.00 178.00 178.25 3gyr s VAL 121 N -3.39 3.89 -0.06 3.15 1.01 -1.26 -4.14 120.40 119.61 3gyr s VAL 121 Ca 0.03 -0.34 -0.24 0.00 0.00 0.00 0.00 61.98 61.44 3gyr s VAL 121 Cb 0.08 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3gyr s VAL 121 CO 0.65 0.44 0.71 -0.89 0.00 0.00 0.00 175.10 176.01 3gyr s THR 122 N 0.93 5.02 -0.16 3.92 2.01 0.13 -4.80 115.64 122.69 3gyr s THR 122 Ca 0.01 1.47 -0.01 0.00 0.31 0.00 0.00 61.69 63.47 3gyr s THR 122 Cb -0.14 -4.05 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 3gyr s THR 122 CO 0.02 0.26 -0.13 -0.55 -0.69 0.00 0.00 174.62 173.53 3gyr s SER 123 N 0.73 3.85 0.11 3.53 0.15 -1.26 0.11 113.70 120.93 3gyr s SER 123 Ca 0.38 -0.43 0.05 0.00 0.70 0.00 0.00 55.95 56.65 3gyr s SER 123 Cb -0.18 -1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.49 3gyr s SER 123 CO 0.19 0.08 -0.13 0.68 1.20 0.00 0.00 173.24 175.26 3gyr s VAL 124 N 0.86 1.15 -0.14 4.45 -7.23 -0.32 -0.36 120.40 118.82 3gyr s VAL 124 Ca -0.04 -1.63 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 3gyr s VAL 124 Cb -0.15 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.39 3gyr s VAL 124 CO -0.00 -0.44 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.54 3gyr s GLU 125 N -2.58 3.11 0.18 4.82 2.02 -1.26 -1.66 118.70 123.32 3gyr s GLU 125 Ca 0.06 -0.82 0.11 0.00 0.02 0.00 0.00 54.97 54.34 3gyr s GLU 125 Cb -0.05 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 3gyr s GLU 125 CO 0.02 0.04 -0.21 0.14 0.02 0.00 0.00 175.26 175.26 3gyr s VAL 126 N 0.71 2.52 0.84 2.63 -7.23 -0.19 -4.92 120.40 114.76 3gyr s VAL 126 Ca -0.09 -1.91 -0.11 0.00 -1.81 0.00 0.00 61.98 58.07 3gyr s VAL 126 Cb -0.16 -2.20 0.10 0.00 0.56 0.00 0.00 36.38 34.68 3gyr s VAL 126 CO 0.01 -0.08 1.10 -2.84 -0.31 0.00 0.00 175.10 172.97 3gyr s PRO 127 N -2.60 1.70 0.22 4.82 0.02 -1.26 -0.47 135.00 137.44 3gyr s PRO 127 Ca 0.21 1.08 -0.13 0.00 0.02 0.00 0.00 61.00 62.17 3gyr s PRO 127 Cb -0.08 -1.84 0.28 0.00 0.02 0.00 0.00 34.50 32.87 3gyr s PRO 127 CO 0.10 -2.00 1.61 -0.07 -0.33 0.00 0.00 177.00 176.31 3gyr h LEU 128 N -1.39 -0.68 -0.24 -5.54 3.38 -1.95 -3.44 115.31 105.45 3gyr h LEU 128 Ca -0.46 0.21 0.12 0.00 0.09 0.00 0.00 57.88 57.84 3gyr h LEU 128 Cb 1.26 0.45 -0.06 0.00 0.09 0.00 0.00 40.66 42.39 3gyr h LEU 128 CO 0.51 -0.24 -0.48 0.61 0.09 0.00 0.00 178.44 178.94 3gyr n GLY 129 N -1.47 -2.97 3.76 0.83 0.00 -1.26 -4.48 105.19 99.60 3gyr n GLY 129 Ca 0.09 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.63 3.71 0.70 1.61 0.02 -1.26 -4.96 135.00 131.18 3gyr s PRO 130 Ca 0.00 2.23 -0.16 0.00 0.02 0.00 0.00 61.00 63.09 3gyr s PRO 130 Cb 0.00 -2.60 0.02 0.00 0.02 0.00 0.00 34.50 31.94 3gyr s PRO 130 CO 0.00 -0.73 1.21 -2.14 -0.33 0.00 0.00 177.00 175.01 3gyr s PRO 131 N -2.47 2.34 -0.48 5.54 0.02 -1.26 -2.57 135.00 136.11 3gyr s PRO 131 Ca 0.61 1.78 0.00 0.00 0.02 0.00 0.00 61.00 63.42 3gyr s PRO 131 Cb -0.40 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3gyr s PRO 131 CO 0.50 -1.69 0.00 0.41 -0.33 0.00 0.00 177.00 175.89 3gyr n GLY 132 N 0.42 0.48 3.60 0.52 0.00 -1.26 -5.01 105.19 103.93 3gyr n GLY 132 Ca 0.14 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.47 3.33 0.14 2.61 -4.23 -1.06 -5.07 115.64 109.89 3gyr s THR 133 Ca 0.00 -1.62 -0.35 0.00 -1.18 0.00 0.00 61.69 58.54 3gyr s THR 133 Cb 0.00 -2.67 -0.15 0.00 1.34 0.00 0.00 72.50 71.02 3gyr s THR 133 CO 0.00 -0.13 1.45 -2.65 -0.54 0.00 0.00 174.62 172.75 3gyr n PRO 134 N -0.06 1.71 -1.52 3.99 -0.02 -1.26 -4.90 135.00 132.94 3gyr n PRO 134 Ca -0.10 0.62 -0.39 0.00 -2.02 0.00 0.00 63.50 61.60 3gyr n PRO 134 Cb 0.56 -2.31 0.03 0.00 -0.02 0.00 0.00 33.50 31.75 3gyr n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gyr n ALA 135 N 2.80 -0.68 0.29 3.55 0.00 -1.26 -4.89 120.51 120.33 3gyr n ALA 135 Ca 0.17 0.08 0.19 0.00 0.00 0.00 0.00 53.44 53.88 3gyr n ALA 135 Cb 0.25 -1.92 1.01 0.00 0.00 0.00 0.00 19.45 18.79 3gyr n ALA 135 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3gyr h PRO 136 N 0.70 0.00 0.00 0.00 0.11 -1.88 -1.52 132.00 129.40 3gyr h PRO 136 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gyr h PRO 136 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3gyr h PRO 136 CO 0.51 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.57 3gyr n ASN 137 N -2.83 0.00 0.01 -2.05 0.23 -1.26 -1.61 115.26 107.74 3gyr n ASN 137 Ca -0.02 -0.84 0.13 0.00 -0.53 0.00 0.00 54.58 53.32 3gyr n ASN 137 Cb 0.09 -0.01 0.48 0.00 -2.08 0.00 0.00 39.78 38.26 3gyr n ASN 137 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3gyr n THR 138 N -1.01 0.05 -4.33 5.53 -1.04 -0.57 -3.92 114.28 109.00 3gyr n THR 138 Ca 0.21 -0.03 -0.24 0.00 -2.04 0.00 0.00 64.05 61.95 3gyr n THR 138 Cb 0.10 -0.28 -0.13 0.00 -1.82 0.00 0.00 70.33 68.21 3gyr n THR 138 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gyr s GLU 139 N -3.01 1.15 0.95 -2.82 2.02 -0.63 -4.75 118.70 111.60 3gyr s GLU 139 Ca 0.13 -1.13 -0.12 0.00 0.02 0.00 0.00 54.97 53.86 3gyr s GLU 139 Cb 0.18 -1.39 0.16 0.00 0.10 0.00 0.00 34.13 33.18 3gyr s GLU 139 CO 0.59 0.33 1.11 -1.25 0.02 0.00 0.00 175.26 176.06 3gyr s PRO 140 N -1.81 0.84 0.00 0.39 0.04 -1.26 -4.92 135.00 128.28 3gyr s PRO 140 Ca 0.06 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.57 3gyr s PRO 140 Cb -0.10 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3gyr s PRO 140 CO 0.04 -2.44 0.00 0.41 0.04 0.00 0.00 177.00 175.05 3gyr n GLY 141 N -1.55 -0.22 0.17 0.56 0.00 -0.35 -4.73 105.19 99.07 3gyr n GLY 141 Ca 0.06 -1.72 0.13 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.11 0.61 0.00 1.61 1.74 -1.26 -4.92 116.66 114.33 3gyr n ARG 142 Ca 0.00 -0.35 0.00 0.00 -0.77 0.00 0.00 57.85 56.73 3gyr n ARG 142 Cb 0.00 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 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 1.38 3.32 0.19 -0.13 0.00 -1.26 -2.16 105.19 106.54 3gyr n GLY 143 Ca 0.10 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3gyr n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gyr h GLY 144 N 0.00 0.00 -3.09 -0.02 0.00 -2.01 -3.48 103.07 94.47 3gyr h GLY 144 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3gyr h GLY 144 CO 0.00 0.00 0.44 0.14 0.00 0.00 0.00 176.54 177.12 3gyr s VAL 145 N -3.22 3.61 0.26 4.60 1.01 -0.92 -4.99 120.40 120.75 3gyr s VAL 145 Ca 0.04 1.35 -0.30 0.00 0.00 0.00 0.00 61.98 63.07 3gyr s VAL 145 Cb 0.07 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 3gyr s VAL 145 CO 0.68 0.12 1.30 -1.61 0.00 0.00 0.00 175.10 175.59 3gyr s GLU 146 N -2.18 4.39 0.23 2.72 0.41 -1.26 -4.86 118.70 118.15 3gyr s GLU 146 Ca 0.54 2.11 -0.31 0.00 -0.41 0.00 0.00 54.97 56.90 3gyr s GLU 146 Cb -0.26 -3.14 -0.15 0.00 -1.78 0.00 0.00 34.13 28.81 3gyr s GLU 146 CO 0.32 -0.19 1.16 -2.30 -0.49 0.00 0.00 175.26 173.76 3gyr n PRO 147 N 1.77 1.43 -1.97 0.39 -0.02 -1.26 -4.76 135.00 130.57 3gyr n PRO 147 Ca 0.03 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 3gyr n PRO 147 Cb 0.42 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 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 -0.14 6.52 0.29 2.55 3.84 0.51 -4.90 114.94 123.62 3gyr s ASN 148 Ca 0.67 2.14 0.11 0.00 0.21 0.00 0.00 52.86 55.99 3gyr s ASN 148 Cb -0.75 -2.53 0.42 0.00 -0.55 0.00 0.00 41.25 37.84 3gyr s ASN 148 CO 0.54 -1.06 1.65 0.11 -2.79 0.00 0.00 177.10 175.56 3gyr h LYS 149 N 10.18 0.00 -0.58 0.43 1.57 -1.89 -2.30 116.57 123.98 3gyr h LYS 149 Ca -0.39 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.35 3gyr h LYS 149 Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 3gyr h LYS 149 CO 0.96 0.57 0.22 -0.44 -0.57 0.00 0.00 179.45 180.20 3gyr h ASP 150 N 0.00 0.81 -0.51 0.86 3.45 -1.99 -2.25 116.42 116.80 3gyr h ASP 150 Ca -0.01 -0.18 -0.12 0.00 0.43 0.00 0.00 57.03 57.16 3gyr h ASP 150 Cb 1.01 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.56 3gyr h ASP 150 CO 0.07 0.76 -0.13 0.58 -1.57 0.00 0.00 179.24 178.96 3gyr h VAL 151 N 0.80 1.27 0.00 -1.35 2.07 -1.92 -3.03 116.25 114.10 3gyr h VAL 151 Ca 0.19 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 3gyr h VAL 151 Cb 0.21 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3gyr h VAL 151 CO -0.01 0.45 -0.02 0.00 0.02 0.00 0.00 177.57 178.00 3gyr h ALA 152 N 0.90 1.09 -0.00 1.67 0.00 -1.19 -1.65 119.26 120.08 3gyr h ALA 152 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gyr h ALA 152 Cb 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3gyr h ALA 152 CO 0.05 0.03 -0.39 0.00 0.00 0.00 0.00 179.25 178.94 3gyr n ALA 153 N -2.14 3.35 -1.66 0.00 0.00 -0.86 -4.44 120.51 114.75 3gyr n ALA 153 Ca -0.02 -0.38 -0.46 0.00 0.00 0.00 0.00 53.44 52.58 3gyr n ALA 153 Cb 0.16 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 3gyr n ALA 153 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gyr n LEU 154 N -1.09 3.00 -4.95 0.00 4.77 -0.62 -5.00 117.00 113.10 3gyr n LEU 154 Ca 0.09 1.10 -0.23 0.00 -0.03 0.00 0.00 56.01 56.93 3gyr n LEU 154 Cb 0.34 -1.41 0.04 0.00 -2.33 0.00 0.00 43.42 40.06 3gyr n LEU 154 CO 0.31 -0.38 0.43 -2.16 -1.33 0.00 0.00 177.39 174.26 3gyr s PRO 155 N 0.61 2.56 -0.28 3.23 0.04 -1.26 -4.64 135.00 135.25 3gyr s PRO 155 Ca 0.77 -0.54 -0.29 0.00 0.04 0.00 0.00 61.00 60.98 3gyr s PRO 155 Cb -0.69 -2.40 -0.01 0.00 0.04 0.00 0.00 34.50 31.44 3gyr s PRO 155 CO 0.41 -0.79 1.44 0.00 0.04 0.00 0.00 177.00 178.10 3gyr s ALA 156 N -2.88 3.28 -0.28 8.56 0.00 -1.26 -4.93 121.76 124.25 3gyr s ALA 156 Ca 0.57 0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 3gyr s ALA 156 Cb -0.10 -3.83 0.10 0.00 0.00 0.00 0.00 23.12 19.29 3gyr s ALA 156 CO 0.41 -1.93 0.13 -0.46 0.00 0.00 0.00 175.76 173.91 3gyr s TRP 157 N 4.85 0.29 0.03 0.00 -0.00 -1.26 -4.00 118.94 118.85 3gyr s TRP 157 Ca 0.63 -0.82 0.03 0.00 -0.00 0.00 0.00 56.10 55.94 3gyr s TRP 157 Cb -0.19 -0.87 -0.02 0.00 -0.00 0.00 0.00 33.47 32.38 3gyr s TRP 157 CO 0.27 -0.81 -0.10 0.45 -0.00 0.00 0.00 176.95 176.75 3gyr s SER 158 N 2.11 1.18 0.02 5.86 0.15 -0.84 -4.77 113.70 117.41 3gyr s SER 158 Ca 0.09 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.35 3gyr s SER 158 Cb -0.16 -0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.08 3gyr s SER 158 CO -0.35 -0.03 -0.05 0.54 1.20 0.00 0.00 173.24 174.55 3gyr s VAL 159 N -0.83 0.36 -0.14 4.45 0.11 -1.26 -0.50 120.40 122.58 3gyr s VAL 159 Ca -0.02 -0.66 -0.02 0.00 -2.93 0.00 0.00 61.98 58.36 3gyr s VAL 159 Cb -0.07 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.37 3gyr s VAL 159 CO 0.01 -0.21 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.59 3gyr s THR 160 N -0.84 3.38 -0.15 5.04 2.01 -1.26 -0.19 115.64 123.63 3gyr s THR 160 Ca -0.06 -0.54 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 3gyr s THR 160 Cb -0.06 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 3gyr s THR 160 CO -0.00 0.51 -0.08 -2.28 -0.69 0.00 0.00 174.62 172.08 3gyr s HIS 161 N 0.40 2.93 -0.58 4.92 5.04 -0.06 -3.96 115.29 123.97 3gyr s HIS 161 Ca -0.08 -0.48 -0.20 0.00 -1.54 0.00 0.00 55.06 52.76 3gyr s HIS 161 Cb -0.15 -1.92 0.08 0.00 0.04 0.00 0.00 32.58 30.63 3gyr s HIS 161 CO 0.04 -0.14 0.77 -1.17 -2.34 0.00 0.00 174.74 171.90 3gyr s LEU 162 N 0.42 4.89 -0.17 8.88 2.96 -1.26 -1.89 118.68 132.52 3gyr s LEU 162 Ca -0.07 -1.07 -0.29 0.00 -0.22 0.00 0.00 54.13 52.49 3gyr s LEU 162 Cb -0.15 -2.43 -0.00 0.00 0.50 0.00 0.00 46.19 44.11 3gyr s LEU 162 CO 0.04 -1.14 1.01 -2.28 -1.32 0.00 0.00 176.35 172.65 3gyr s HIS 163 N 3.14 3.43 0.00 5.38 5.65 0.21 -2.08 115.29 131.02 3gyr s HIS 163 Ca 0.17 1.51 0.00 0.00 0.25 0.00 0.00 55.06 56.99 3gyr s HIS 163 Cb -0.20 -3.21 0.00 0.00 -1.18 0.00 0.00 32.58 27.99 3gyr s HIS 163 CO 0.10 -0.34 0.00 0.41 -0.65 0.00 0.00 174.74 174.26 3gyr n GLY 164 N 3.22 1.97 3.77 1.59 0.00 -1.26 -2.30 105.19 112.18 3gyr n GLY 164 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.12 3.45 -0.44 4.61 0.00 -0.88 -4.80 121.76 121.58 3gyr s ALA 165 Ca 0.00 1.17 -0.14 0.00 0.00 0.00 0.00 51.96 52.99 3gyr s ALA 165 Cb 0.00 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.73 3gyr s ALA 165 CO 0.00 -0.54 0.33 -1.14 0.00 0.00 0.00 175.76 174.41 3gyr s GLN 166 N -1.76 2.92 -0.05 0.00 0.74 -1.26 -4.06 119.66 116.19 3gyr s GLN 166 Ca 0.49 -1.24 -0.30 0.00 0.05 0.00 0.00 55.36 54.36 3gyr s GLN 166 Cb -0.38 -4.01 0.11 0.00 1.10 0.00 0.00 33.01 29.83 3gyr s GLN 166 CO 0.50 -0.91 0.96 -0.08 -0.55 0.00 0.00 175.29 175.21 3gyr s THR 167 N 1.62 0.00 0.95 -0.34 -1.32 -1.26 -4.51 115.64 110.78 3gyr s THR 167 Ca 0.04 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.40 3gyr s THR 167 Cb -0.22 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 69.93 3gyr s THR 167 CO 0.07 0.00 1.10 -0.83 -2.21 0.00 0.00 174.62 172.76 3gyr s GLY 168 N -2.38 1.58 0.46 6.08 0.00 -1.26 -4.70 107.32 107.10 3gyr s GLY 168 Ca 0.06 -0.36 0.14 0.00 0.00 0.00 0.00 44.72 44.56 3gyr s GLY 168 CO -0.08 0.21 2.05 -1.33 0.00 0.00 0.00 173.10 173.95 3gyr h GLY 169 N -1.69 0.34 1.50 0.20 0.00 -0.58 -1.46 103.07 101.38 3gyr h GLY 169 Ca -0.52 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 46.74 3gyr h GLY 169 CO 0.58 0.09 0.21 -1.33 0.00 0.00 0.00 176.54 176.09 3gyr h GLY 170 N 0.28 0.00 0.00 4.60 0.00 -1.88 -2.95 103.07 103.11 3gyr h GLY 170 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3gyr h GLY 170 CO -0.03 0.00 -0.93 0.70 0.00 0.00 0.00 176.54 176.28 3gyr n ASN 171 N -3.67 0.89 0.03 0.19 3.02 -0.56 -4.72 115.26 110.43 3gyr n ASN 171 Ca 0.01 -0.65 0.14 0.00 -0.03 0.00 0.00 54.58 54.05 3gyr n ASN 171 Cb 0.32 1.16 0.55 0.00 -0.61 0.00 0.00 39.78 41.20 3gyr n ASN 171 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3gyr n ASP 172 N -1.51 0.24 -0.61 6.41 4.64 -1.12 -4.78 116.55 119.82 3gyr n ASP 172 Ca 0.01 0.51 0.00 0.00 -1.38 0.00 0.00 54.79 53.93 3gyr n ASP 172 Cb 0.27 -0.56 0.00 0.00 -1.04 0.00 0.00 41.12 39.78 3gyr n ASP 172 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3gyr n GLY 173 N 1.45 0.50 3.58 0.27 0.00 -1.25 -4.06 105.19 105.67 3gyr n GLY 173 Ca 0.07 -0.32 -0.56 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.72 1.27 0.25 1.61 -0.00 -1.26 -4.70 117.44 113.89 3gyr n TRP 174 Ca 0.00 0.80 0.09 0.00 -0.00 0.00 0.00 57.50 58.39 3gyr n TRP 174 Cb 0.32 -2.25 0.64 0.00 -0.00 0.00 0.00 31.31 30.01 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 4.26 1.56 0.00 5.87 0.00 -1.96 -1.31 119.26 127.68 3gyr h ALA 175 Ca -0.49 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 3gyr h ALA 175 Cb 1.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3gyr h ALA 175 CO 0.76 0.16 -0.27 -0.44 0.00 0.00 0.00 179.25 179.46 3gyr h ASP 176 N 0.00 0.00 -0.52 0.00 3.32 -1.88 -0.15 116.42 117.19 3gyr h ASP 176 Ca -0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 3gyr h ASP 176 Cb 0.26 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.67 3gyr h ASP 176 CO 0.02 0.27 0.44 0.59 -1.72 0.00 0.00 179.24 178.84 3gyr n ASN 177 N -3.37 6.55 -4.78 6.45 5.03 -0.50 -4.92 115.26 119.73 3gyr n ASN 177 Ca 0.01 -3.11 -0.33 0.00 0.87 0.00 0.00 54.58 52.02 3gyr n ASN 177 Cb 0.49 -1.06 0.04 0.00 -1.02 0.00 0.00 39.78 38.23 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 -1.93 2.53 0.09 5.41 0.00 -1.26 -4.73 121.76 121.88 3gyr s ALA 178 Ca 0.34 0.47 0.10 0.00 0.00 0.00 0.00 51.96 52.87 3gyr s ALA 178 Cb 0.26 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 3gyr s ALA 178 CO -0.01 -1.19 -0.26 0.14 0.00 0.00 0.00 175.76 174.44 3gyr s VAL 179 N -2.44 2.13 0.73 0.00 -7.23 0.34 -4.76 120.40 109.17 3gyr s VAL 179 Ca 0.65 -1.58 -0.03 0.00 -1.81 0.00 0.00 61.98 59.22 3gyr s VAL 179 Cb -0.19 -1.86 0.12 0.00 0.56 0.00 0.00 36.38 35.01 3gyr s VAL 179 CO 0.42 0.17 1.01 -0.83 -0.31 0.00 0.00 175.10 175.56 3gyr s GLY 180 N -1.72 1.76 0.12 2.32 0.00 -1.26 -1.98 107.32 106.56 3gyr s GLY 180 Ca 0.12 -1.60 -0.34 0.00 0.00 0.00 0.00 44.72 42.90 3gyr s GLY 180 CO 0.04 -1.04 1.09 0.33 0.00 0.00 0.00 173.10 173.52 3gyr n PHE 181 N -2.90 0.95 0.00 1.90 7.35 -1.26 -1.88 117.46 121.63 3gyr n PHE 181 Ca 0.14 0.80 0.00 0.00 -0.76 0.00 0.00 57.45 57.63 3gyr n PHE 181 Cb 0.60 -2.20 0.00 0.00 0.35 0.00 0.00 39.48 38.23 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 1.96 2.62 3.93 7.13 0.00 0.26 -5.01 105.19 116.08 3gyr n GLY 182 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.68 5.51 0.16 1.61 1.01 -0.79 -4.90 116.67 117.59 3gyr s ASP 183 Ca 0.00 -0.44 0.08 0.00 0.71 0.00 0.00 52.55 52.90 3gyr s ASP 183 Cb 0.00 -0.90 -0.04 0.00 1.01 0.00 0.00 42.92 42.99 3gyr s ASP 183 CO 0.00 -0.52 -0.18 0.00 0.21 0.00 0.00 175.17 174.68 3gyr s ALA 184 N -2.31 1.99 -0.22 5.23 0.00 -1.26 -1.32 121.76 123.86 3gyr s ALA 184 Ca 0.46 -1.48 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 3gyr s ALA 184 Cb -0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3gyr s ALA 184 CO 0.29 0.23 0.04 -1.14 0.00 0.00 0.00 175.76 175.19 3gyr s GLN 185 N -2.77 3.65 -0.17 0.00 0.74 0.26 -4.97 119.66 116.39 3gyr s GLN 185 Ca 0.15 -0.49 -0.11 0.00 0.05 0.00 0.00 55.36 54.96 3gyr s GLN 185 Cb -0.06 -3.21 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 3gyr s GLN 185 CO 0.06 -0.08 0.18 -0.51 -0.55 0.00 0.00 175.29 174.39 3gyr s LEU 186 N 1.29 4.25 -0.06 3.68 1.43 -1.26 -0.92 118.68 127.09 3gyr s LEU 186 Ca 0.04 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 3gyr s LEU 186 Cb -0.15 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 43.92 3gyr s LEU 186 CO 0.02 0.19 -0.06 -0.44 0.23 0.00 0.00 176.35 176.30 3gyr s SER 187 N 0.18 1.33 -0.20 2.29 0.01 0.23 -4.76 113.70 112.77 3gyr s SER 187 Ca 0.11 -0.18 -0.12 0.00 1.31 0.00 0.00 55.95 57.08 3gyr s SER 187 Cb -0.12 -0.57 -0.05 0.00 0.21 0.00 0.00 66.02 65.49 3gyr s SER 187 CO 0.01 -0.06 0.22 -0.70 0.41 0.00 0.00 173.24 173.12 3gyr s GLU 188 N 1.07 4.16 -0.32 12.44 2.12 -1.26 -0.89 118.70 136.02 3gyr s GLU 188 Ca -0.08 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.15 3gyr s GLU 188 Cb -0.14 -3.48 0.07 0.00 0.26 0.00 0.00 34.13 30.84 3gyr s GLU 188 CO -0.01 0.16 0.02 0.71 -0.54 0.00 0.00 175.26 175.60 3gyr s TYR 189 N 0.76 3.44 -0.19 5.30 2.02 0.91 -4.75 117.35 124.83 3gyr s TYR 189 Ca 0.11 -2.35 0.28 0.00 -0.37 0.00 0.00 57.07 54.75 3gyr s TYR 189 Cb -0.13 -2.45 1.23 0.00 -0.40 0.00 0.00 41.96 40.22 3gyr s TYR 189 CO 0.03 -0.89 1.84 -1.35 -1.57 0.00 0.00 175.55 173.61 3gyr h PRO 190 N 7.86 0.00 -5.35 -1.71 0.11 -1.82 -2.06 132.00 129.03 3gyr h PRO 190 Ca -0.15 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.56 3gyr h PRO 190 Cb 1.04 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 3gyr h PRO 190 CO 0.54 0.00 -0.60 0.09 -0.21 0.00 0.00 178.00 177.82 3gyr n ASN 191 N -2.56 -4.43 -4.45 -2.05 5.03 -1.26 -4.08 115.26 101.46 3gyr n ASN 191 Ca 0.01 -0.42 -0.44 0.00 0.87 0.00 0.00 54.58 54.59 3gyr n ASN 191 Cb 0.22 -3.62 -0.00 0.00 -1.02 0.00 0.00 39.78 35.36 3gyr n ASN 191 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3gyr s ASP 192 N -2.80 7.05 -0.19 6.41 3.68 -1.26 -0.04 116.67 129.52 3gyr s ASP 192 Ca 0.42 -2.96 -0.28 0.00 2.13 0.00 0.00 52.55 51.86 3gyr s ASP 192 Cb -0.21 -2.39 0.10 0.00 -1.45 0.00 0.00 42.92 38.97 3gyr s ASP 192 CO 0.51 -0.74 0.88 -2.28 0.13 0.00 0.00 175.17 173.67 3gyr s HIS 193 N 1.45 -0.55 0.83 -5.34 2.46 -1.26 -4.99 115.29 107.89 3gyr s HIS 193 Ca 0.41 1.14 -0.11 0.00 0.47 0.00 0.00 55.06 56.96 3gyr s HIS 193 Cb -0.04 0.38 0.09 0.00 -0.13 0.00 0.00 32.58 32.89 3gyr s HIS 193 CO -0.01 -0.39 1.14 1.14 -2.47 0.00 0.00 174.74 174.15 3gyr s GLN 194 N -0.49 1.65 0.24 2.88 -2.07 -1.26 -4.63 119.66 115.97 3gyr s GLN 194 Ca -0.02 1.48 -0.30 0.00 -1.82 0.00 0.00 55.36 54.70 3gyr s GLN 194 Cb -0.02 -1.80 -0.15 0.00 -1.09 0.00 0.00 33.01 29.94 3gyr s GLN 194 CO 0.02 -2.15 1.04 0.00 -1.32 0.00 0.00 175.29 172.88 3gyr n ALA 195 N -3.66 -0.60 -3.80 2.60 0.00 -1.26 -4.88 120.51 108.92 3gyr n ALA 195 Ca 0.11 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3gyr n ALA 195 Cb 0.52 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 -0.70 0.00 -0.31 0.00 -1.32 -0.86 -4.16 115.64 108.29 3gyr s THR 196 Ca 0.65 -0.36 -0.10 0.00 -1.21 0.00 0.00 61.69 60.67 3gyr s THR 196 Cb -0.77 -2.45 -0.01 0.00 -1.51 0.00 0.00 72.50 67.75 3gyr s THR 196 CO 0.57 0.00 0.17 -1.58 -2.21 0.00 0.00 174.62 171.56 3gyr s GLN 197 N -2.40 3.44 0.46 7.08 0.74 -1.26 -0.95 119.66 126.76 3gyr s GLN 197 Ca 0.20 -0.66 0.08 0.00 0.05 0.00 0.00 55.36 55.02 3gyr s GLN 197 Cb 0.01 -3.60 0.02 0.00 1.10 0.00 0.00 33.01 30.54 3gyr s GLN 197 CO -0.00 -0.39 0.62 -1.58 -0.55 0.00 0.00 175.29 173.40 3gyr s TRP 198 N 1.65 2.60 0.05 1.67 0.51 0.61 -4.83 118.94 121.19 3gyr s TRP 198 Ca 0.05 -0.42 -0.10 0.00 -2.12 0.00 0.00 56.10 53.52 3gyr s TRP 198 Cb -0.17 -2.39 0.01 0.00 -0.81 0.00 0.00 33.47 30.11 3gyr s TRP 198 CO 0.07 -0.58 0.21 1.67 -0.51 0.00 0.00 176.95 177.82 3gyr s TRP 199 N -2.44 0.04 0.05 -1.98 1.48 -0.97 -0.95 118.94 114.17 3gyr s TRP 199 Ca 0.56 -0.27 0.07 0.00 -1.06 0.00 0.00 56.10 55.41 3gyr s TRP 199 Cb -0.09 -0.01 -0.03 0.00 -1.16 0.00 0.00 33.47 32.18 3gyr s TRP 199 CO 0.34 -0.46 -0.21 1.52 -4.06 0.00 0.00 176.95 174.09 3gyr s TYR 200 N -2.71 1.84 0.04 1.66 -0.85 -0.19 0.67 117.35 117.80 3gyr s TYR 200 Ca -0.04 -0.38 -0.27 0.00 -0.52 0.00 0.00 57.07 55.86 3gyr s TYR 200 Cb -0.00 -1.09 0.09 0.00 0.38 0.00 0.00 41.96 41.34 3gyr s TYR 200 CO -0.05 0.11 0.77 -3.38 -1.52 0.00 0.00 175.55 171.48 3gyr s HIS 201 N -0.84 -0.45 0.47 -3.49 -3.43 -0.79 -1.08 115.29 105.68 3gyr s HIS 201 Ca 0.08 0.39 -0.23 0.00 -0.80 0.00 0.00 55.06 54.50 3gyr s HIS 201 Cb -0.09 0.52 -0.09 0.00 -1.43 0.00 0.00 32.58 31.50 3gyr s HIS 201 CO 0.02 -0.65 1.05 -3.47 -2.00 0.00 0.00 174.74 169.70 3gyr n ASP 202 N -0.08 1.39 -1.20 7.38 -0.08 -1.00 -0.89 116.55 122.07 3gyr n ASP 202 Ca -0.13 0.98 0.04 0.00 -1.51 0.00 0.00 54.79 54.17 3gyr n ASP 202 Cb 0.62 -1.39 0.03 0.00 2.34 0.00 0.00 41.12 42.72 3gyr n ASP 202 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 3gyr n HIS 203 N -0.79 0.00 -1.69 -0.67 -0.00 0.74 -4.77 115.22 108.04 3gyr n HIS 203 Ca 0.10 -0.50 -0.44 0.00 0.46 0.00 0.00 57.72 57.34 3gyr n HIS 203 Cb 0.42 -0.14 -0.03 0.00 -0.12 0.00 0.00 29.99 30.11 3gyr n HIS 203 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3gyr n ALA 204 N 0.22 1.93 -1.69 1.57 0.00 -1.26 -4.22 120.51 117.06 3gyr n ALA 204 Ca 0.06 0.33 -0.56 0.00 0.00 0.00 0.00 53.44 53.27 3gyr n ALA 204 Cb 1.01 -2.55 -0.07 0.00 0.00 0.00 0.00 19.45 17.84 3gyr n ALA 204 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3gyr n MET 205 N 5.45 1.18 0.00 0.00 1.56 -0.07 -1.78 117.12 123.46 3gyr n MET 205 Ca 0.18 0.43 0.00 0.00 -0.27 0.00 0.00 57.70 58.05 3gyr n MET 205 Cb 0.35 -2.11 0.00 0.00 2.15 0.00 0.00 33.22 33.61 3gyr n MET 205 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3gyr n ASN 206 N 4.98 0.00 -0.01 6.12 3.02 -1.26 -4.73 115.26 123.39 3gyr n ASN 206 Ca 0.25 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.81 3gyr n ASN 206 Cb 0.14 -0.19 0.01 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.82 0.97 -0.31 2.41 -5.35 -0.79 -4.77 119.36 109.71 3gyr n ILE 207 Ca 0.00 -0.99 0.17 0.00 -0.27 0.00 0.00 62.75 61.66 3gyr n ILE 207 Cb 0.00 0.50 0.42 0.00 -1.74 0.00 0.00 39.64 38.82 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 0.25 0.67 0.00 7.28 2.02 -1.64 -1.05 112.91 120.44 3gyr h THR 208 Ca 0.00 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 3gyr h THR 208 Cb 0.57 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3gyr h THR 208 CO 0.00 0.11 -0.13 0.08 0.37 0.00 0.00 175.52 175.94 3gyr h ARG 209 N 0.58 0.00 0.03 6.66 0.11 -1.86 -1.38 114.38 118.51 3gyr h ARG 209 Ca 0.54 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 60.23 3gyr h ARG 209 Cb 1.09 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.12 3gyr h ARG 209 CO -0.29 0.13 -2.25 0.91 0.10 0.00 0.00 179.97 178.58 3gyr n TRP 210 N -3.65 0.42 -0.14 4.08 8.01 -0.54 -3.91 117.44 121.72 3gyr n TRP 210 Ca -0.02 0.11 -0.05 0.00 -1.31 0.00 0.00 57.50 56.24 3gyr n TRP 210 Cb 0.25 -1.05 0.04 0.00 -2.01 0.00 0.00 31.31 28.54 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 -0.31 0.17 -0.40 -0.99 4.21 -1.16 0.50 115.58 117.61 3gyr h ASN 211 Ca -0.54 0.05 -0.07 0.00 1.21 0.00 0.00 56.30 56.95 3gyr h ASN 211 Cb 1.81 0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 39.02 3gyr h ASN 211 CO -0.13 0.13 0.03 0.58 -1.29 0.00 0.00 177.43 176.75 3gyr h VAL 212 N 0.33 1.23 0.00 2.81 2.07 -1.47 -1.91 116.25 119.31 3gyr h VAL 212 Ca 0.20 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 3gyr h VAL 212 Cb 0.19 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3gyr h VAL 212 CO -0.20 0.33 -0.35 -0.03 0.02 0.00 0.00 177.57 177.34 3gyr h MET 213 N 0.73 0.00 0.00 1.57 1.85 -1.51 -2.41 114.93 115.15 3gyr h MET 213 Ca 0.15 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.22 3gyr h MET 213 Cb 0.40 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.43 3gyr h MET 213 CO 0.01 0.35 -0.08 0.00 -0.40 0.00 0.00 176.91 176.79 3gyr h ALA 214 N 1.65 1.06 0.00 0.39 0.00 -0.08 -3.45 119.26 118.84 3gyr h ALA 214 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gyr h ALA 214 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3gyr h ALA 214 CO 0.04 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3gyr n GLY 215 N -0.20 -0.66 3.13 0.00 0.00 -0.92 -0.43 105.19 106.10 3gyr n GLY 215 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 6.03 -3.73 0.99 4.77 -1.15 -4.59 117.00 119.33 3gyr n LEU 216 Ca 0.00 -4.61 -0.13 0.00 -0.03 0.00 0.00 56.01 51.24 3gyr n LEU 216 Cb 0.00 -1.53 -0.08 0.00 -2.33 0.00 0.00 43.42 39.49 3gyr n LEU 216 CO 0.00 1.13 0.07 -0.72 -1.33 0.00 0.00 177.39 176.54 3gyr s TYR 217 N 0.65 -0.20 0.25 -1.77 -0.85 -1.26 -2.38 117.35 111.78 3gyr s TYR 217 Ca 0.40 0.22 -0.20 0.00 -0.52 0.00 0.00 57.07 56.97 3gyr s TYR 217 Cb 0.04 0.14 0.07 0.00 0.38 0.00 0.00 41.96 42.59 3gyr s TYR 217 CO 0.01 -0.47 0.97 0.20 -1.52 0.00 0.00 175.55 174.74 3gyr s GLY 218 N -1.66 0.21 0.31 5.49 0.00 -0.24 -0.37 107.32 111.06 3gyr s GLY 218 Ca -0.09 -0.49 0.07 0.00 0.00 0.00 0.00 44.72 44.21 3gyr s GLY 218 CO 0.01 1.81 -0.06 -1.08 0.00 0.00 0.00 173.10 173.78 3gyr s THR 219 N -2.13 1.82 -0.22 0.90 -1.32 -1.26 -1.02 115.64 112.41 3gyr s THR 219 Ca 0.21 -2.13 -0.03 0.00 -1.21 0.00 0.00 61.69 58.52 3gyr s THR 219 Cb -0.03 -2.56 0.12 0.00 -1.51 0.00 0.00 72.50 68.51 3gyr s THR 219 CO 0.07 -0.23 0.34 -0.47 -2.21 0.00 0.00 174.62 172.12 3gyr s TYR 220 N -2.89 -0.69 -0.14 9.09 6.14 -0.13 -1.91 117.35 126.82 3gyr s TYR 220 Ca 0.31 0.78 -0.05 0.00 0.64 0.00 0.00 57.07 58.75 3gyr s TYR 220 Cb 0.04 -0.04 -0.04 0.00 0.42 0.00 0.00 41.96 42.35 3gyr s TYR 220 CO 0.14 -0.65 0.03 -0.51 0.64 0.00 0.00 175.55 175.20 3gyr s LEU 221 N 2.50 3.68 -0.14 6.97 1.43 0.06 -0.29 118.68 132.89 3gyr s LEU 221 Ca 0.10 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 3gyr s LEU 221 Cb -0.15 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 3gyr s LEU 221 CO -0.14 0.25 -0.02 -0.69 0.23 0.00 0.00 176.35 175.98 3gyr s VAL 222 N -0.11 4.11 0.16 -1.59 1.01 -0.13 -2.03 120.40 121.83 3gyr s VAL 222 Ca 0.05 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.81 3gyr s VAL 222 Cb -0.12 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3gyr s VAL 222 CO 0.02 0.52 0.01 -0.13 0.00 0.00 0.00 175.10 175.52 3gyr s ARG 223 N 0.03 2.46 0.29 2.72 1.81 -0.23 -2.03 118.95 124.00 3gyr s ARG 223 Ca 0.02 -1.05 -0.10 0.00 -1.72 0.00 0.00 55.73 52.87 3gyr s ARG 223 Cb -0.13 -2.40 0.00 0.00 -0.45 0.00 0.00 34.95 31.97 3gyr s ARG 223 CO 0.02 0.47 0.50 0.16 -0.68 0.00 0.00 175.30 175.77 3gyr s ASP 224 N -2.88 0.20 0.45 0.23 1.47 -1.26 0.05 116.67 114.93 3gyr s ASP 224 Ca 0.27 -1.11 0.11 0.00 1.18 0.00 0.00 52.55 52.99 3gyr s ASP 224 Cb -0.10 0.63 1.00 0.00 -0.34 0.00 0.00 42.92 44.11 3gyr s ASP 224 CO 0.19 -1.23 2.08 0.44 0.68 0.00 0.00 175.17 177.32 3gyr h ASP 225 N 2.20 0.28 -0.01 2.11 3.45 -1.98 -1.44 116.42 121.01 3gyr h ASP 225 Ca -0.27 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.16 3gyr h ASP 225 Cb 1.25 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 3gyr h ASP 225 CO 0.37 0.22 -0.03 -0.08 -1.57 0.00 0.00 179.24 178.15 3gyr h GLU 226 N 0.32 0.05 -0.80 3.56 4.81 -1.99 -1.29 114.58 119.24 3gyr h GLU 226 Ca 0.08 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3gyr h GLU 226 Cb 0.01 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 3gyr h GLU 226 CO -0.01 0.63 0.45 1.49 -0.73 0.00 0.00 179.01 180.84 3gyr h GLU 227 N -0.53 1.09 -0.95 1.92 4.81 -1.96 -2.15 114.58 116.82 3gyr h GLU 227 Ca -0.00 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3gyr h GLU 227 Cb 0.63 -0.22 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 3gyr h GLU 227 CO 0.01 0.79 0.61 -0.44 -0.73 0.00 0.00 179.01 179.24 3gyr h ASP 228 N 1.11 0.99 0.48 1.04 3.32 -1.12 -2.48 116.42 119.76 3gyr h ASP 228 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3gyr h ASP 228 Cb -0.00 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3gyr h ASP 228 CO -0.05 0.65 0.00 0.00 -1.72 0.00 0.00 179.24 178.12 3gyr n ALA 229 N -2.36 1.56 1.06 3.45 0.00 -0.50 -1.32 120.51 122.40 3gyr n ALA 229 Ca 0.13 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.72 3gyr n ALA 229 Cb 0.14 -1.26 0.56 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.75 0.13 -3.73 0.00 4.77 -0.93 -4.97 117.00 110.52 3gyr n LEU 230 Ca 0.02 0.35 -0.22 0.00 -0.03 0.00 0.00 56.01 56.13 3gyr n LEU 230 Cb 0.16 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 40.87 3gyr n LEU 230 CO 0.14 0.03 -0.07 0.61 -1.33 0.00 0.00 177.39 176.76 3gyr n GLY 231 N 1.47 -0.29 3.82 -0.72 0.00 -0.44 -4.94 105.19 104.08 3gyr n GLY 231 Ca 0.08 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -6.73 3.45 0.13 0.99 1.43 -1.26 -4.94 118.68 111.75 3gyr s LEU 232 Ca 0.03 1.70 -0.34 0.00 -1.03 0.00 0.00 54.13 54.50 3gyr s LEU 232 Cb -0.02 -4.52 -0.17 0.00 0.03 0.00 0.00 46.19 41.51 3gyr s LEU 232 CO 0.82 -1.06 0.98 -2.65 0.23 0.00 0.00 176.35 174.67 3gyr n PRO 233 N -2.16 0.56 -2.33 1.29 -0.02 -1.26 -4.95 135.00 126.13 3gyr n PRO 233 Ca 0.08 0.20 -0.03 0.00 -2.02 0.00 0.00 63.50 61.73 3gyr n PRO 233 Cb 0.53 -1.58 -0.01 0.00 -0.02 0.00 0.00 33.50 32.42 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 1.86 0.01 0.00 2.55 3.41 -1.26 -4.43 113.62 115.75 3gyr n SER 234 Ca 0.17 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 3gyr n SER 234 Cb 0.20 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.12 3.20 0.43 5.00 0.00 -1.26 0.05 105.19 112.72 3gyr n GLY 235 Ca 0.01 -0.15 0.19 0.00 0.00 0.00 0.00 46.02 46.07 3gyr n GLY 235 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gyr h ASP 236 N 2.09 0.00 -0.30 1.61 3.32 -2.03 -1.77 116.42 119.34 3gyr h ASP 236 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gyr h ASP 236 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3gyr h ASP 236 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 3gyr n ARG 237 N -3.14 2.40 -4.07 3.56 1.74 0.11 -4.79 116.66 112.46 3gyr n ARG 237 Ca 0.11 -2.17 -0.35 0.00 -0.77 0.00 0.00 57.85 54.68 3gyr n ARG 237 Cb 1.06 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 30.88 3gyr n ARG 237 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3gyr s GLU 238 N -1.54 3.37 -0.23 5.56 2.12 -0.67 -0.45 118.70 126.87 3gyr s GLU 238 Ca 0.35 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 55.05 3gyr s GLU 238 Cb 0.21 -2.93 0.06 0.00 0.26 0.00 0.00 34.13 31.74 3gyr s GLU 238 CO 0.30 -0.11 -0.05 0.42 -0.54 0.00 0.00 175.26 175.28 3gyr s ILE 239 N 1.24 1.45 0.43 -3.70 1.01 0.14 -4.77 121.20 117.01 3gyr s ILE 239 Ca 0.03 -1.15 -0.26 0.00 0.00 0.00 0.00 60.65 59.27 3gyr s ILE 239 Cb -0.14 -1.72 -0.08 0.00 0.01 0.00 0.00 42.46 40.52 3gyr s ILE 239 CO -0.02 -0.09 1.38 -2.84 0.00 0.00 0.00 174.94 173.36 3gyr s PRO 240 N 1.44 3.80 -0.18 2.79 0.02 -1.26 -1.79 135.00 139.82 3gyr s PRO 240 Ca -0.05 2.32 -0.01 0.00 0.02 0.00 0.00 61.00 63.27 3gyr s PRO 240 Cb -0.19 -2.70 0.05 0.00 0.02 0.00 0.00 34.50 31.68 3gyr s PRO 240 CO -0.06 -0.68 -0.01 -0.51 -0.33 0.00 0.00 177.00 175.40 3gyr s LEU 241 N -2.60 1.49 -0.43 -5.54 1.43 -0.48 -4.84 118.68 107.72 3gyr s LEU 241 Ca 0.59 -0.75 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 3gyr s LEU 241 Cb -0.41 -0.78 0.08 0.00 0.03 0.00 0.00 46.19 45.10 3gyr s LEU 241 CO 0.53 -0.24 0.28 -0.76 0.23 0.00 0.00 176.35 176.39 3gyr s LEU 242 N 1.72 5.22 -0.09 1.79 1.02 -1.26 -1.10 118.68 125.97 3gyr s LEU 242 Ca -0.01 -1.46 -0.05 0.00 0.02 0.00 0.00 54.13 52.64 3gyr s LEU 242 Cb -0.16 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 43.99 3gyr s LEU 242 CO -0.07 -0.55 0.11 0.27 0.02 0.00 0.00 176.35 176.12 3gyr s ILE 243 N 1.46 5.16 -0.17 -0.59 -4.36 -0.76 -0.97 121.20 120.98 3gyr s ILE 243 Ca 0.03 0.01 -0.14 0.00 -0.26 0.00 0.00 60.65 60.29 3gyr s ILE 243 Cb -0.23 -3.26 0.05 0.00 1.25 0.00 0.00 42.46 40.27 3gyr s ILE 243 CO 0.03 0.56 0.45 0.00 0.24 0.00 0.00 174.94 176.22 3gyr s ALA 244 N -1.04 -1.12 0.47 2.27 0.00 -0.53 -0.35 121.76 121.45 3gyr s ALA 244 Ca 0.17 1.36 -0.19 0.00 0.00 0.00 0.00 51.96 53.30 3gyr s ALA 244 Cb -0.12 -0.80 -0.09 0.00 0.00 0.00 0.00 23.12 22.11 3gyr s ALA 244 CO 0.06 -0.23 0.96 0.16 0.00 0.00 0.00 175.76 176.71 3gyr s ASP 245 N 0.53 6.79 0.03 0.00 -4.77 -1.26 -0.62 116.67 117.36 3gyr s ASP 245 Ca -0.02 1.62 -0.04 0.00 -3.30 0.00 0.00 52.55 50.81 3gyr s ASP 245 Cb -0.04 -2.52 -0.02 0.00 -1.09 0.00 0.00 42.92 39.25 3gyr s ASP 245 CO -0.03 -0.46 0.05 -0.13 0.70 0.00 0.00 175.17 175.30 3gyr s ARG 246 N -3.60 0.51 0.23 2.11 1.81 0.11 -4.83 118.95 115.28 3gyr s ARG 246 Ca 0.60 -0.73 0.11 0.00 -1.72 0.00 0.00 55.73 53.99 3gyr s ARG 246 Cb -0.09 0.19 -0.05 0.00 -0.45 0.00 0.00 34.95 34.55 3gyr s ARG 246 CO 0.22 -0.11 -0.20 1.21 -0.68 0.00 0.00 175.30 175.74 3gyr s ASN 247 N -1.97 3.64 0.14 0.23 3.84 -1.25 -1.97 114.94 117.61 3gyr s ASN 247 Ca -0.07 -0.88 0.09 0.00 0.21 0.00 0.00 52.86 52.20 3gyr s ASN 247 Cb -0.03 -0.35 -0.04 0.00 -0.55 0.00 0.00 41.25 40.28 3gyr s ASN 247 CO -0.04 0.08 -0.20 -0.76 -2.79 0.00 0.00 177.10 173.39 3gyr s LEU 248 N -3.04 2.38 0.72 3.21 1.43 -1.26 -0.88 118.68 121.24 3gyr s LEU 248 Ca 0.25 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.45 3gyr s LEU 248 Cb -0.07 -0.91 0.02 0.00 0.03 0.00 0.00 46.19 45.26 3gyr s LEU 248 CO 0.13 0.03 1.09 -0.62 0.23 0.00 0.00 176.35 177.22 3gyr s ASP 249 N -2.34 5.26 0.17 2.29 -1.08 0.17 -1.21 116.67 119.93 3gyr s ASP 249 Ca 0.13 1.19 0.09 0.00 -0.52 0.00 0.00 52.55 53.43 3gyr s ASP 249 Cb -0.08 -1.98 -0.04 0.00 -1.46 0.00 0.00 42.92 39.36 3gyr s ASP 249 CO 0.06 -1.47 -0.18 0.42 0.52 0.00 0.00 175.17 174.52 3gyr s THR 250 N -3.30 1.83 1.00 1.71 -4.23 -1.26 -1.04 115.64 110.34 3gyr s THR 250 Ca 0.59 -1.95 -0.17 0.00 -1.18 0.00 0.00 61.69 58.98 3gyr s THR 250 Cb -0.12 -1.87 0.23 0.00 1.34 0.00 0.00 72.50 72.09 3gyr s THR 250 CO 0.52 -0.33 1.25 0.47 -0.54 0.00 0.00 174.62 175.99 3gyr n ASP 251 N 0.23 -0.31 -0.26 3.99 8.00 0.13 -4.86 116.55 123.47 3gyr n ASP 251 Ca -0.13 -1.41 -0.06 0.00 0.71 0.00 0.00 54.79 53.91 3gyr n ASP 251 Cb 0.57 -0.98 0.05 0.00 -0.02 0.00 0.00 41.12 40.74 3gyr n ASP 251 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3gyr h GLU 252 N 0.00 1.03 0.00 -1.24 5.08 -2.02 0.28 114.58 117.71 3gyr h GLU 252 Ca -0.41 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 3gyr h GLU 252 Cb 1.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3gyr h GLU 252 CO 0.29 0.83 0.00 -0.40 -1.00 0.00 0.00 179.01 178.72 3gyr n ASP 253 N -4.41 0.00 -0.08 1.42 5.75 -1.26 -4.84 116.55 113.14 3gyr n ASP 253 Ca 0.06 -1.16 -0.01 0.00 -0.01 0.00 0.00 54.79 53.66 3gyr n ASP 253 Cb 0.15 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.23 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 0.26 0.50 3.76 6.12 0.00 0.97 -5.04 105.19 111.76 3gyr n GLY 254 Ca 0.05 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.14 4.43 0.20 1.61 1.81 -1.26 -4.73 118.95 119.87 3gyr s ARG 255 Ca 0.00 1.87 -0.30 0.00 -1.72 0.00 0.00 55.73 55.58 3gyr s ARG 255 Cb 0.00 -3.01 -0.09 0.00 -0.45 0.00 0.00 34.95 31.40 3gyr s ARG 255 CO 0.00 0.00 1.39 -0.51 -0.68 0.00 0.00 175.30 175.50 3gyr s LEU 256 N -1.82 4.39 -0.06 2.53 1.43 -1.26 0.18 118.68 124.07 3gyr s LEU 256 Ca 0.49 2.49 0.10 0.00 -1.03 0.00 0.00 54.13 56.18 3gyr s LEU 256 Cb -0.32 -3.61 0.23 0.00 0.03 0.00 0.00 46.19 42.52 3gyr s LEU 256 CO 0.42 -0.63 1.17 -0.46 0.23 0.00 0.00 176.35 177.07 3gyr n ASN 257 N 2.90 2.62 0.00 2.29 0.23 -0.21 -4.78 115.26 118.31 3gyr n ASN 257 Ca 0.08 -2.44 0.00 0.00 -0.53 0.00 0.00 54.58 51.69 3gyr n ASN 257 Cb 0.41 -0.25 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 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 -0.50 1.61 3.68 4.83 0.00 -1.26 -4.71 105.19 108.84 3gyr n GLY 258 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.03 4.32 0.05 1.61 0.52 -1.26 -4.55 118.95 119.61 3gyr s ARG 259 Ca 0.00 1.69 -0.34 0.00 -0.52 0.00 0.00 55.73 56.55 3gyr s ARG 259 Cb 0.00 -3.61 -0.13 0.00 0.52 0.00 0.00 34.95 31.73 3gyr s ARG 259 CO 0.00 -0.52 1.68 1.28 0.02 0.00 0.00 175.30 177.77 3gyr n LEU 260 N 5.54 3.12 -3.87 2.53 4.77 -1.26 -0.66 117.00 127.17 3gyr n LEU 260 Ca 0.12 1.04 -0.28 0.00 -0.03 0.00 0.00 56.01 56.86 3gyr n LEU 260 Cb 0.46 -1.38 -0.16 0.00 -2.33 0.00 0.00 43.42 40.00 3gyr n LEU 260 CO 0.56 -0.25 -0.41 -0.22 -1.33 0.00 0.00 177.39 175.73 3gyr s LEU 261 N 2.16 1.66 -0.62 2.23 2.96 -0.06 -0.69 118.68 126.31 3gyr s LEU 261 Ca 0.85 -0.75 -0.20 0.00 -0.22 0.00 0.00 54.13 53.81 3gyr s LEU 261 Cb -0.71 -0.89 0.09 0.00 0.50 0.00 0.00 46.19 45.19 3gyr s LEU 261 CO 0.44 -0.21 0.80 -2.28 -1.32 0.00 0.00 176.35 173.79 3gyr s HIS 262 N 1.64 2.89 -0.24 5.38 5.65 0.31 -3.79 115.29 127.12 3gyr s HIS 262 Ca -0.00 -0.83 0.00 0.00 0.25 0.00 0.00 55.06 54.48 3gyr s HIS 262 Cb -0.16 -4.12 0.04 0.00 -1.18 0.00 0.00 32.58 27.16 3gyr s HIS 262 CO -0.07 -1.43 -0.10 0.21 -0.65 0.00 0.00 174.74 172.70 3gyr s LYS 263 N 3.17 2.65 0.27 2.88 2.20 -1.26 -1.18 119.74 128.46 3gyr s LYS 263 Ca 0.16 -1.09 0.09 0.00 -0.36 0.00 0.00 55.97 54.77 3gyr s LYS 263 Cb -0.21 -2.88 -0.04 0.00 -1.51 0.00 0.00 37.83 33.18 3gyr s LYS 263 CO 0.07 -0.43 0.00 0.95 -0.36 0.00 0.00 175.35 175.58 3gyr s THR 264 N 1.24 3.47 -0.17 3.43 -4.23 -0.67 -4.56 115.64 114.15 3gyr s THR 264 Ca -0.02 -1.90 -0.04 0.00 -1.18 0.00 0.00 61.69 58.54 3gyr s THR 264 Cb -0.17 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 3gyr s THR 264 CO -0.06 -0.37 -0.02 -0.69 -0.54 0.00 0.00 174.62 172.94 3gyr s VAL 265 N -2.32 3.99 -0.16 2.29 1.01 -1.26 -1.03 120.40 122.93 3gyr s VAL 265 Ca 0.31 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 3gyr s VAL 265 Cb -0.06 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3gyr s VAL 265 CO 0.20 0.47 1.20 -0.63 0.00 0.00 0.00 175.10 176.35 3gyr s ILE 266 N 0.54 4.37 -0.49 2.22 1.01 0.38 -1.73 121.20 127.50 3gyr s ILE 266 Ca -0.02 1.66 0.18 0.00 0.00 0.00 0.00 60.65 62.47 3gyr s ILE 266 Cb -0.14 -4.07 -0.23 0.00 0.01 0.00 0.00 42.46 38.03 3gyr s ILE 266 CO 0.02 -0.12 0.60 1.33 0.00 0.00 0.00 174.94 176.78 3gyr n VAL 267 N 5.23 0.00 -3.48 2.92 0.24 -0.41 -3.71 118.33 119.11 3gyr n VAL 267 Ca 0.13 -0.23 -0.10 0.00 -2.04 0.00 0.00 64.34 62.10 3gyr n VAL 267 Cb 0.45 0.61 -0.09 0.00 -1.47 0.00 0.00 33.84 33.34 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 -2.93 0.31 0.22 7.34 0.74 -1.21 -5.03 119.66 119.10 3gyr s GLN 268 Ca 0.01 0.68 -0.02 0.00 0.05 0.00 0.00 55.36 56.08 3gyr s GLN 268 Cb 0.13 -0.25 0.20 0.00 1.10 0.00 0.00 33.01 34.19 3gyr s GLN 268 CO 0.74 -0.49 1.59 0.37 -0.55 0.00 0.00 175.29 176.95 3gyr h GLN 269 N 8.20 0.59 -3.37 1.67 5.75 -1.89 -1.25 115.11 124.81 3gyr h GLN 269 Ca -0.18 -0.30 -0.45 0.00 -0.15 0.00 0.00 58.65 57.58 3gyr h GLN 269 Cb 1.14 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.29 3gyr h GLN 269 CO 0.22 0.89 -0.75 0.45 -2.65 0.00 0.00 178.83 176.98 3gyr s SER 270 N -6.85 2.02 0.13 -0.69 0.15 -1.26 -3.25 113.70 103.96 3gyr s SER 270 Ca -0.08 -0.38 -0.30 0.00 0.70 0.00 0.00 55.95 55.90 3gyr s SER 270 Cb 0.12 -0.34 -0.06 0.00 -1.71 0.00 0.00 66.02 64.02 3gyr s SER 270 CO 0.83 -0.28 1.06 0.21 1.20 0.00 0.00 173.24 176.26 3gyr s ASN 271 N 2.04 7.32 0.43 5.45 2.47 -0.59 -4.92 114.94 127.14 3gyr s ASN 271 Ca 0.03 1.96 0.17 0.00 0.42 0.00 0.00 52.86 55.44 3gyr s ASN 271 Cb -0.14 -2.59 1.08 0.00 -1.45 0.00 0.00 41.25 38.14 3gyr s ASN 271 CO -0.07 -0.21 1.90 -0.65 -3.72 0.00 0.00 177.10 174.35 3gyr h PRO 272 N 5.58 0.39 0.17 0.43 0.11 -1.94 -3.04 132.00 133.70 3gyr h PRO 272 Ca -0.43 -0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.34 3gyr h PRO 272 Cb 1.21 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.25 3gyr h PRO 272 CO 0.73 0.25 -1.45 0.93 -0.21 0.00 0.00 178.00 178.26 3gyr h GLU 273 N 0.40 0.37 -5.84 1.05 5.08 -1.92 -3.47 114.58 110.25 3gyr h GLU 273 Ca 0.41 -0.62 -0.60 0.00 -1.00 0.00 0.00 59.36 57.54 3gyr h GLU 273 Cb 1.00 0.23 -0.14 0.00 0.50 0.00 0.00 28.75 30.34 3gyr h GLU 273 CO -0.14 1.28 -0.67 0.95 -1.00 0.00 0.00 179.01 179.43 3gyr s THR 274 N -2.62 2.12 0.55 1.13 -4.23 -1.15 -5.01 115.64 106.43 3gyr s THR 274 Ca -0.08 -2.17 0.32 0.00 -1.18 0.00 0.00 61.69 58.58 3gyr s THR 274 Cb 0.06 -2.67 0.49 0.00 1.34 0.00 0.00 72.50 71.72 3gyr s THR 274 CO 0.89 -0.19 1.86 1.23 -0.54 0.00 0.00 174.62 177.88 3gyr h GLY 275 N 2.03 0.00 -2.70 3.99 0.00 -1.92 -3.33 103.07 101.14 3gyr h GLY 275 Ca -0.42 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.38 3gyr h GLY 275 CO 0.71 0.00 -0.59 -1.59 0.00 0.00 0.00 176.54 175.07 3gyr s LYS 276 N -4.92 2.56 0.64 4.80 -2.85 -1.26 -4.42 119.74 114.30 3gyr s LYS 276 Ca -0.05 -1.26 -0.14 0.00 -1.00 0.00 0.00 55.97 53.52 3gyr s LYS 276 Cb 0.21 -2.33 -0.01 0.00 -2.06 0.00 0.00 37.83 33.64 3gyr s LYS 276 CO 0.75 0.38 1.07 -1.25 0.10 0.00 0.00 175.35 176.40 3gyr s PRO 277 N -3.74 3.03 -0.16 1.78 0.04 -1.20 -1.54 135.00 133.21 3gyr s PRO 277 Ca 0.32 1.21 0.01 0.00 0.04 0.00 0.00 61.00 62.58 3gyr s PRO 277 Cb -0.07 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.48 3gyr s PRO 277 CO 0.22 -1.04 -0.18 0.08 0.04 0.00 0.00 177.00 176.11 3gyr s VAL 278 N -2.55 2.32 0.21 -0.36 1.01 -0.47 -4.92 120.40 115.64 3gyr s VAL 278 Ca 0.63 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.84 3gyr s VAL 278 Cb -0.17 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3gyr s VAL 278 CO 0.42 0.53 -0.15 -0.94 0.00 0.00 0.00 175.10 174.96 3gyr s SER 279 N 0.96 3.91 1.02 3.32 1.04 -1.26 -1.29 113.70 121.39 3gyr s SER 279 Ca -0.03 -0.75 -0.13 0.00 0.48 0.00 0.00 55.95 55.52 3gyr s SER 279 Cb -0.15 -0.51 0.20 0.00 0.10 0.00 0.00 66.02 65.66 3gyr s SER 279 CO -0.04 0.09 1.10 0.27 0.98 0.00 0.00 173.24 175.64 3gyr s ILE 280 N -1.88 1.96 1.11 -1.02 -4.36 -0.71 -4.93 121.20 111.37 3gyr s ILE 280 Ca 0.25 0.00 -0.17 0.00 -0.26 0.00 0.00 60.65 60.47 3gyr s ILE 280 Cb -0.08 -2.52 0.24 0.00 1.25 0.00 0.00 42.46 41.35 3gyr s ILE 280 CO 0.14 0.00 1.12 -2.84 0.24 0.00 0.00 174.94 173.60 3gyr s PRO 281 N -5.05 -0.46 -0.04 0.37 0.02 -1.26 -4.45 135.00 124.12 3gyr s PRO 281 Ca 0.66 0.09 -0.30 0.00 0.02 0.00 0.00 61.00 61.47 3gyr s PRO 281 Cb -0.17 -1.67 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 3gyr s PRO 281 CO 0.57 -3.24 1.21 0.12 -0.33 0.00 0.00 177.00 175.33 3gyr s PHE 282 N -3.08 3.21 -0.01 6.54 5.36 -1.26 -4.76 117.98 123.98 3gyr s PHE 282 Ca 0.69 1.21 0.02 0.00 -0.96 0.00 0.00 56.93 57.89 3gyr s PHE 282 Cb -0.12 -3.43 -0.00 0.00 -0.34 0.00 0.00 43.02 39.13 3gyr s PHE 282 CO 0.56 -1.34 -0.06 -0.06 -1.46 0.00 0.00 175.22 172.86 3gyr s PHE 283 N 2.06 0.56 0.10 10.12 0.08 -1.26 -4.04 117.98 125.60 3gyr s PHE 283 Ca 0.56 -0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.53 3gyr s PHE 283 Cb -0.25 -0.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.79 3gyr s PHE 283 CO 0.23 -0.02 -0.08 0.20 -0.10 0.00 0.00 175.22 175.45 3gyr s GLY 284 N -0.09 0.78 0.33 4.36 0.00 -1.26 -4.74 107.32 106.71 3gyr s GLY 284 Ca 0.02 -1.26 0.17 0.00 0.00 0.00 0.00 44.72 43.65 3gyr s GLY 284 CO -0.00 -1.35 1.61 -2.55 0.00 0.00 0.00 173.10 170.81 3gyr h PRO 285 N 3.27 0.00 -5.55 2.90 0.11 -1.67 -3.40 132.00 127.65 3gyr h PRO 285 Ca -0.36 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.13 3gyr h PRO 285 Cb 1.18 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 3gyr h PRO 285 CO 0.59 0.44 -0.39 0.71 -0.21 0.00 0.00 178.00 179.14 3gyr s TYR 286 N -3.32 3.53 -0.23 0.65 1.51 -0.83 -4.46 117.35 114.20 3gyr s TYR 286 Ca 0.02 0.57 -0.08 0.00 -1.01 0.00 0.00 57.07 56.56 3gyr s TYR 286 Cb 0.10 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 3gyr s TYR 286 CO 0.71 0.46 0.09 0.99 -1.11 0.00 0.00 175.55 176.69 3gyr s THR 287 N -0.23 4.70 -0.01 -0.71 2.01 -1.26 0.06 115.64 120.20 3gyr s THR 287 Ca 0.15 -0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.09 3gyr s THR 287 Cb -0.13 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 3gyr s THR 287 CO 0.04 0.37 0.07 0.42 -0.69 0.00 0.00 174.62 174.83 3gyr s THR 288 N 1.11 4.67 -0.16 -0.82 -4.23 0.20 -1.73 115.64 114.68 3gyr s THR 288 Ca 0.05 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 3gyr s THR 288 Cb -0.14 -3.13 0.03 0.00 1.34 0.00 0.00 72.50 70.60 3gyr s THR 288 CO 0.04 0.36 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.70 3gyr s VAL 289 N -1.18 1.33 -1.44 2.29 1.01 0.92 -1.45 120.40 121.89 3gyr s VAL 289 Ca 0.22 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 3gyr s VAL 289 Cb -0.12 -1.38 0.04 0.00 0.00 0.00 0.00 36.38 34.92 3gyr s VAL 289 CO 0.13 0.27 0.67 0.59 0.00 0.00 0.00 175.10 176.77 3gyr n ASN 290 N 4.82 -1.89 -0.16 3.32 3.02 -0.14 -2.12 115.26 122.10 3gyr n ASN 290 Ca -0.14 -0.90 -0.02 0.00 -0.03 0.00 0.00 54.58 53.49 3gyr n ASN 290 Cb 0.48 -3.51 -0.01 0.00 -0.61 0.00 0.00 39.78 36.13 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 -1.72 0.55 2.96 7.41 0.00 -1.26 -4.56 105.19 108.58 3gyr n GLY 291 Ca -0.19 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.42 1.20 0.09 1.61 0.52 -0.90 -4.37 118.95 115.68 3gyr s ARG 292 Ca 0.00 -0.26 -0.31 0.00 -0.52 0.00 0.00 55.73 54.64 3gyr s ARG 292 Cb 0.00 -1.07 -0.09 0.00 0.52 0.00 0.00 34.95 34.31 3gyr s ARG 292 CO 0.00 -0.01 1.68 0.42 0.02 0.00 0.00 175.30 177.41 3gyr s ILE 293 N 0.70 2.89 -1.25 1.52 1.01 0.28 -0.05 121.20 126.29 3gyr s ILE 293 Ca -0.12 0.39 -0.27 0.00 0.00 0.00 0.00 60.65 60.66 3gyr s ILE 293 Cb -0.14 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 39.10 3gyr s ILE 293 CO 0.02 0.00 0.61 0.79 0.00 0.00 0.00 174.94 176.36 3gyr n TRP 294 N 5.42 -1.48 -1.74 3.97 8.01 -0.71 -4.73 117.44 126.18 3gyr n TRP 294 Ca 0.16 0.23 -0.30 0.00 -1.31 0.00 0.00 57.50 56.29 3gyr n TRP 294 Cb 0.40 -2.96 0.08 0.00 -2.01 0.00 0.00 31.31 26.82 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 -7.12 2.16 0.20 -0.99 0.04 -1.26 0.57 135.00 128.60 3gyr s PRO 295 Ca 0.41 0.40 0.10 0.00 0.04 0.00 0.00 61.00 61.95 3gyr s PRO 295 Cb -0.21 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3gyr s PRO 295 CO 0.95 -1.52 -0.15 1.52 0.04 0.00 0.00 177.00 177.85 3gyr s TYR 296 N -3.34 2.49 -0.10 0.56 -0.85 -0.26 -2.19 117.35 113.67 3gyr s TYR 296 Ca 0.61 -0.28 0.01 0.00 -0.52 0.00 0.00 57.07 56.89 3gyr s TYR 296 Cb -0.13 -1.20 0.02 0.00 0.38 0.00 0.00 41.96 41.03 3gyr s TYR 296 CO 0.52 0.53 -0.10 0.00 -1.52 0.00 0.00 175.55 174.98 3gyr s ALA 297 N -1.81 1.34 -0.11 9.51 0.00 0.12 0.83 121.76 131.64 3gyr s ALA 297 Ca 0.24 -0.52 -0.27 0.00 0.00 0.00 0.00 51.96 51.41 3gyr s ALA 297 Cb -0.08 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 3gyr s ALA 297 CO 0.14 -0.18 0.90 -0.51 0.00 0.00 0.00 175.76 176.10 3gyr s ASP 298 N 1.24 7.11 0.28 0.00 1.01 -1.26 -0.75 116.67 124.29 3gyr s ASP 298 Ca -0.04 1.36 0.02 0.00 0.71 0.00 0.00 52.55 54.61 3gyr s ASP 298 Cb -0.14 -2.50 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 3gyr s ASP 298 CO -0.03 -0.37 0.07 0.68 0.21 0.00 0.00 175.17 175.73 3gyr s VAL 299 N 1.80 0.84 0.42 -1.27 -7.23 -0.21 -4.93 120.40 109.82 3gyr s VAL 299 Ca 0.43 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 3gyr s VAL 299 Cb -0.18 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 3gyr s VAL 299 CO 0.17 -0.03 0.64 -1.81 -0.31 0.00 0.00 175.10 173.76 3gyr s ASP 300 N -3.38 5.97 -0.84 4.85 1.01 -1.26 -0.26 116.67 122.76 3gyr s ASP 300 Ca 0.36 0.34 -0.06 0.00 0.71 0.00 0.00 52.55 53.91 3gyr s ASP 300 Cb 0.08 -1.68 -0.07 0.00 1.01 0.00 0.00 42.92 42.26 3gyr s ASP 300 CO 0.14 -0.59 2.24 -0.90 0.21 0.00 0.00 175.17 176.26 3gyr n ASP 301 N -2.00 5.02 -2.19 0.27 5.75 -0.83 -4.71 116.55 117.85 3gyr n ASP 301 Ca -0.00 -2.31 -0.10 0.00 -0.01 0.00 0.00 54.79 52.37 3gyr n ASP 301 Cb 0.57 -1.10 -0.04 0.00 -1.03 0.00 0.00 41.12 39.52 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 3.58 3.45 3.72 6.12 0.00 -1.26 -3.66 105.19 117.14 3gyr n GLY 302 Ca 0.45 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.70 3.67 0.19 1.61 0.52 -1.26 -1.86 118.94 119.12 3gyr s TRP 303 Ca 0.21 1.66 0.10 0.00 0.02 0.00 0.00 56.10 58.09 3gyr s TRP 303 Cb 0.01 -3.16 -0.04 0.00 -1.15 0.00 0.00 33.47 29.13 3gyr s TRP 303 CO 0.15 -0.19 -0.20 0.71 0.02 0.00 0.00 176.95 177.43 3gyr s TYR 304 N 0.55 2.05 -0.11 -1.98 1.51 -0.54 -4.79 117.35 114.04 3gyr s TYR 304 Ca 0.51 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 56.19 3gyr s TYR 304 Cb -0.24 -0.99 0.01 0.00 -0.11 0.00 0.00 41.96 40.62 3gyr s TYR 304 CO 0.30 0.45 -0.22 0.50 -1.11 0.00 0.00 175.55 175.47 3gyr s ARG 305 N -2.91 2.85 -0.14 -0.62 3.52 0.40 -0.79 118.95 121.26 3gyr s ARG 305 Ca 0.20 -0.80 0.01 0.00 -0.13 0.00 0.00 55.73 55.01 3gyr s ARG 305 Cb -0.06 -2.23 -0.00 0.00 -1.56 0.00 0.00 34.95 31.10 3gyr s ARG 305 CO 0.09 0.08 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.99 3gyr s LEU 306 N 0.58 2.47 -0.92 -0.88 1.43 0.10 -0.68 118.68 120.79 3gyr s LEU 306 Ca -0.14 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 3gyr s LEU 306 Cb -0.17 -1.55 0.24 0.00 0.03 0.00 0.00 46.19 44.74 3gyr s LEU 306 CO 0.04 0.12 0.86 -0.13 0.23 0.00 0.00 176.35 177.47 3gyr s ARG 307 N 0.61 3.70 -0.24 1.70 1.81 -0.74 -1.32 118.95 124.48 3gyr s ARG 307 Ca -0.09 -2.80 -0.16 0.00 -1.72 0.00 0.00 55.73 50.96 3gyr s ARG 307 Cb -0.16 -4.38 -0.03 0.00 -0.45 0.00 0.00 34.95 29.93 3gyr s ARG 307 CO 0.03 -1.26 0.42 -1.17 -0.68 0.00 0.00 175.30 172.64 3gyr s LEU 308 N -0.47 4.09 0.01 2.53 1.98 -0.10 -1.38 118.68 125.34 3gyr s LEU 308 Ca 0.23 0.45 0.04 0.00 -2.89 0.00 0.00 54.13 51.96 3gyr s LEU 308 Cb -0.11 -2.53 -0.01 0.00 0.66 0.00 0.00 46.19 44.20 3gyr s LEU 308 CO -0.08 -0.17 -0.12 0.54 -1.89 0.00 0.00 176.35 174.62 3gyr s VAL 309 N 1.84 0.96 -0.41 1.68 0.11 -0.26 -0.32 120.40 124.01 3gyr s VAL 309 Ca 0.18 -0.69 -0.17 0.00 -2.93 0.00 0.00 61.98 58.37 3gyr s VAL 309 Cb -0.15 -0.84 0.02 0.00 -1.53 0.00 0.00 36.38 33.88 3gyr s VAL 309 CO 0.09 0.14 0.44 0.21 -3.33 0.00 0.00 175.10 172.65 3gyr s ASN 310 N -0.62 6.20 -0.20 3.54 3.84 -1.20 -1.82 114.94 124.68 3gyr s ASN 310 Ca 0.03 -0.62 0.15 0.00 0.21 0.00 0.00 52.86 52.63 3gyr s ASN 310 Cb -0.06 -2.22 0.74 0.00 -0.55 0.00 0.00 41.25 39.16 3gyr s ASN 310 CO 0.00 -0.56 1.66 0.00 -2.79 0.00 0.00 177.10 175.41 3gyr n ALA 311 N 5.60 3.55 -1.71 1.71 0.00 0.52 -0.38 120.51 129.80 3gyr n ALA 311 Ca -0.07 -1.92 -0.34 0.00 0.00 0.00 0.00 53.44 51.10 3gyr n ALA 311 Cb 0.48 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.02 5.67 0.29 0.00 0.01 -1.24 -4.85 113.70 112.55 3gyr s SER 312 Ca 0.51 2.08 0.03 0.00 1.31 0.00 0.00 55.95 59.88 3gyr s SER 312 Cb 0.38 -2.57 0.69 0.00 0.21 0.00 0.00 66.02 64.74 3gyr s SER 312 CO 0.16 -1.25 1.74 0.78 0.41 0.00 0.00 173.24 175.08 3gyr h ASN 313 N 0.92 0.52 0.00 2.44 4.21 -1.88 -3.43 115.58 118.37 3gyr h ASN 313 Ca -0.49 0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.14 3gyr h ASN 313 Cb 1.25 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 3gyr h ASN 313 CO 0.57 0.13 0.00 0.00 -1.29 0.00 0.00 177.43 176.84 3gyr n ALA 314 N -2.42 0.07 -1.78 -0.83 0.00 -1.26 -0.76 120.51 113.54 3gyr n ALA 314 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 3gyr n ALA 314 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.98 4.15 -0.35 0.00 3.52 -1.26 -4.73 118.95 119.29 3gyr s ARG 315 Ca 0.00 2.54 -0.21 0.00 -0.13 0.00 0.00 55.73 57.93 3gyr s ARG 315 Cb 0.00 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.26 3gyr s ARG 315 CO 0.00 -0.72 0.64 0.42 -0.81 0.00 0.00 175.30 174.83 3gyr s ILE 316 N 1.28 4.89 -0.16 4.11 1.01 -1.26 -4.07 121.20 126.99 3gyr s ILE 316 Ca 0.74 0.63 -0.28 0.00 0.00 0.00 0.00 60.65 61.73 3gyr s ILE 316 Cb -0.48 -4.08 -0.00 0.00 0.01 0.00 0.00 42.46 37.91 3gyr s ILE 316 CO 0.32 -0.30 0.98 -0.31 0.00 0.00 0.00 174.94 175.63 3gyr s TYR 317 N 2.72 3.43 -0.71 3.97 2.02 -0.53 -4.88 117.35 123.37 3gyr s TYR 317 Ca 0.25 1.48 -0.10 0.00 -0.37 0.00 0.00 57.07 58.33 3gyr s TYR 317 Cb -0.14 -3.18 0.18 0.00 -0.40 0.00 0.00 41.96 38.42 3gyr s TYR 317 CO 0.15 -0.32 0.60 -0.80 -1.57 0.00 0.00 175.55 173.61 3gyr s ASN 318 N 1.15 6.13 0.00 2.29 -0.87 -1.26 0.24 114.94 122.62 3gyr s ASN 318 Ca 0.45 -2.61 -0.23 0.00 -1.57 0.00 0.00 52.86 48.90 3gyr s ASN 318 Cb -0.17 -2.07 -0.05 0.00 -0.02 0.00 0.00 41.25 38.94 3gyr s ASN 318 CO 0.12 -0.54 0.69 -0.76 -2.57 0.00 0.00 177.10 174.04 3gyr s LEU 319 N 0.30 4.41 -0.05 0.60 1.43 0.74 -0.94 118.68 125.17 3gyr s LEU 319 Ca 0.15 1.28 0.04 0.00 -1.03 0.00 0.00 54.13 54.58 3gyr s LEU 319 Cb -0.16 -3.08 -0.00 0.00 0.03 0.00 0.00 46.19 42.97 3gyr s LEU 319 CO -0.06 0.02 -0.18 -0.69 0.23 0.00 0.00 176.35 175.68 3gyr s VAL 320 N 0.10 1.48 -0.26 -1.59 1.01 -0.02 -0.84 120.40 120.29 3gyr s VAL 320 Ca 0.35 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 3gyr s VAL 320 Cb -0.19 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 3gyr s VAL 320 CO 0.20 0.43 0.63 -0.22 0.00 0.00 0.00 175.10 176.14 3gyr s LEU 321 N 0.09 4.06 0.26 3.92 2.96 -1.26 -0.92 118.68 127.80 3gyr s LEU 321 Ca -0.06 0.71 0.08 0.00 -0.22 0.00 0.00 54.13 54.64 3gyr s LEU 321 Cb -0.12 -2.86 -0.05 0.00 0.50 0.00 0.00 46.19 43.65 3gyr s LEU 321 CO 0.03 -0.38 -0.12 0.27 -1.32 0.00 0.00 176.35 174.83 3gyr s ILE 322 N 2.52 1.91 0.07 6.68 -4.36 -0.08 -0.71 121.20 127.23 3gyr s ILE 322 Ca 0.26 -2.22 0.01 0.00 -0.26 0.00 0.00 60.65 58.45 3gyr s ILE 322 Cb -0.15 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.25 3gyr s ILE 322 CO 0.09 -0.40 0.10 -0.90 0.24 0.00 0.00 174.94 174.06 3gyr n ASP 323 N -0.55 0.39 0.31 4.36 5.68 -0.07 -0.50 116.55 126.15 3gyr n ASP 323 Ca -0.06 -1.20 0.17 0.00 -0.50 0.00 0.00 54.79 53.20 3gyr n ASP 323 Cb 0.62 -0.05 0.99 0.00 -1.14 0.00 0.00 41.12 41.54 3gyr n ASP 323 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3gyr h GLU 324 N 0.00 0.00 -0.57 0.11 3.07 -1.89 -0.58 114.58 114.71 3gyr h GLU 324 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3gyr h GLU 324 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3gyr h GLU 324 CO 0.05 0.02 0.00 -0.25 -1.40 0.00 0.00 179.01 177.43 3gyr n ASP 325 N -3.54 3.10 -0.24 1.42 8.00 -1.26 -4.91 116.55 119.11 3gyr n ASP 325 Ca -0.03 -2.03 -0.03 0.00 0.71 0.00 0.00 54.79 53.42 3gyr n ASP 325 Cb 0.10 -0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 40.80 3gyr n ASP 325 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3gyr n ASP 326 N 1.14 -4.20 -4.72 -2.24 9.92 -0.23 -5.01 116.55 111.22 3gyr n ASP 326 Ca 0.19 0.08 -0.41 0.00 -0.53 0.00 0.00 54.79 54.12 3gyr n ASP 326 Cb 0.50 -1.98 -0.04 0.00 -0.64 0.00 0.00 41.12 38.96 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 -1.52 4.59 0.55 -1.24 3.52 -1.26 -4.69 118.95 118.90 3gyr s ARG 327 Ca 0.00 1.35 -0.22 0.00 -0.13 0.00 0.00 55.73 56.74 3gyr s ARG 327 Cb 0.00 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.92 3gyr s ARG 327 CO 0.00 0.08 1.35 -2.14 -0.81 0.00 0.00 175.30 173.78 3gyr s PRO 328 N 0.54 3.14 -0.32 5.12 0.02 -1.26 -0.89 135.00 141.35 3gyr s PRO 328 Ca 0.48 2.22 -0.05 0.00 0.02 0.00 0.00 61.00 63.66 3gyr s PRO 328 Cb -0.21 -2.25 0.03 0.00 0.02 0.00 0.00 34.50 32.09 3gyr s PRO 328 CO 0.27 -1.18 0.07 0.08 -0.33 0.00 0.00 177.00 175.91 3gyr s VAL 329 N -1.31 3.62 0.38 3.83 1.01 0.11 -4.85 120.40 123.18 3gyr s VAL 329 Ca 0.72 -1.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 3gyr s VAL 329 Cb -0.40 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 3gyr s VAL 329 CO 0.47 -0.09 0.68 -2.16 0.00 0.00 0.00 175.10 174.00 3gyr s PRO 330 N 1.39 3.64 0.00 2.72 0.04 -1.26 -4.44 135.00 137.10 3gyr s PRO 330 Ca -0.01 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.19 3gyr s PRO 330 Cb -0.19 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.85 3gyr s PRO 330 CO 0.02 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.49 3gyr n GLY 331 N -1.46 0.45 0.04 0.56 0.00 -1.26 -4.86 105.19 98.65 3gyr n GLY 331 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.99 0.00 -3.79 1.61 0.31 -1.26 -4.88 118.33 107.32 3gyr n VAL 332 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 3gyr n VAL 332 Cb 0.00 -0.53 -0.06 0.00 -0.91 0.00 0.00 33.84 32.34 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 -1.98 5.41 -0.02 2.52 1.01 -1.26 -0.81 120.40 125.28 3gyr s VAL 333 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3gyr s VAL 333 Cb 0.00 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.93 3gyr s VAL 333 CO 0.00 0.59 0.00 -1.00 0.00 0.00 0.00 175.10 174.69 3gyr s HIS 334 N -0.87 0.21 -0.10 5.22 0.09 0.53 -1.75 115.29 118.62 3gyr s HIS 334 Ca 0.16 0.02 -0.19 0.00 -0.00 0.00 0.00 55.06 55.05 3gyr s HIS 334 Cb -0.13 -0.29 -0.04 0.00 -0.00 0.00 0.00 32.58 32.12 3gyr s HIS 334 CO 0.05 -0.09 0.51 -1.14 -0.00 0.00 0.00 174.74 174.07 3gyr s GLN 335 N 0.75 4.32 0.00 1.40 0.74 0.27 0.45 119.66 127.59 3gyr s GLN 335 Ca -0.07 0.52 0.03 0.00 0.05 0.00 0.00 55.36 55.88 3gyr s GLN 335 Cb -0.10 -3.42 -0.03 0.00 1.10 0.00 0.00 33.01 30.56 3gyr s GLN 335 CO -0.02 0.20 0.12 0.44 -0.55 0.00 0.00 175.29 175.49 3gyr n ILE 336 N 3.48 0.00 -3.60 -2.34 -5.35 0.28 -1.32 119.36 110.51 3gyr n ILE 336 Ca -0.07 -0.44 -0.12 0.00 -0.27 0.00 0.00 62.75 61.86 3gyr n ILE 336 Cb 0.52 1.00 -0.05 0.00 -1.74 0.00 0.00 39.64 39.37 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 -1.24 -0.34 0.00 3.28 0.00 -1.13 -0.11 107.32 107.78 3gyr s GLY 337 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.90 3gyr s GLY 337 CO 0.11 -0.10 0.00 -1.14 0.00 0.00 0.00 173.10 171.97 3gyr n SER 338 N -0.04 0.70 -0.32 1.64 3.41 -0.05 -1.40 113.62 117.56 3gyr n SER 338 Ca -0.17 -0.55 0.14 0.00 -0.26 0.00 0.00 58.87 58.03 3gyr n SER 338 Cb 0.63 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.85 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 -1.26 -0.11 -0.83 4.04 8.00 -1.18 -1.36 116.55 123.85 3gyr n ASP 339 Ca 0.00 1.59 0.08 0.00 0.71 0.00 0.00 54.79 57.16 3gyr n ASP 339 Cb 0.00 -0.58 0.19 0.00 -0.02 0.00 0.00 41.12 40.71 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 -1.47 2.34 0.00 0.44 0.00 -0.49 -4.45 105.19 101.56 3gyr n GLY 340 Ca 0.22 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.87 0.71 3.67 -0.02 0.00 -0.46 -4.79 105.19 105.18 3gyr n GLY 341 Ca 0.15 -2.08 -0.45 0.00 0.00 0.00 0.00 46.02 43.64 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 3.07 -4.76 0.99 4.77 -1.26 -0.87 117.00 118.95 3gyr n LEU 342 Ca 0.00 1.14 -0.31 0.00 -0.03 0.00 0.00 56.01 56.81 3gyr n LEU 342 Cb 0.00 -1.42 0.10 0.00 -2.33 0.00 0.00 43.42 39.77 3gyr n LEU 342 CO 0.00 -0.50 0.70 -0.76 -1.33 0.00 0.00 177.39 175.49 3gyr s LEU 343 N 0.11 2.98 0.20 2.23 1.43 0.85 -4.73 118.68 121.74 3gyr s LEU 343 Ca 0.68 1.84 -0.08 0.00 -1.03 0.00 0.00 54.13 55.55 3gyr s LEU 343 Cb -0.65 -4.50 0.13 0.00 0.03 0.00 0.00 46.19 41.20 3gyr s LEU 343 CO 0.50 -2.16 1.70 1.55 0.23 0.00 0.00 176.35 178.16 3gyr h PRO 344 N -1.22 1.08 -4.76 1.29 0.13 -1.88 -3.31 132.00 123.34 3gyr h PRO 344 Ca -0.44 -0.29 -0.31 0.00 -0.87 0.00 0.00 66.00 64.09 3gyr h PRO 344 Cb 1.24 -0.13 -0.21 0.00 0.13 0.00 0.00 31.00 32.03 3gyr h PRO 344 CO 0.51 1.00 -0.74 1.03 -0.23 0.00 0.00 178.00 179.56 3gyr s ARG 345 N -5.17 0.60 0.63 0.86 0.52 -1.26 -0.13 118.95 115.00 3gyr s ARG 345 Ca -0.12 -0.82 -0.18 0.00 -0.52 0.00 0.00 55.73 54.10 3gyr s ARG 345 Cb 0.14 -0.42 -0.02 0.00 0.52 0.00 0.00 34.95 35.18 3gyr s ARG 345 CO 0.85 0.08 1.25 -2.14 0.02 0.00 0.00 175.30 175.36 3gyr s PRO 346 N -1.65 2.68 -0.23 3.54 0.02 -1.26 -4.88 135.00 133.21 3gyr s PRO 346 Ca -0.08 1.93 0.02 0.00 0.02 0.00 0.00 61.00 62.89 3gyr s PRO 346 Cb -0.10 -1.88 0.05 0.00 0.02 0.00 0.00 34.50 32.60 3gyr s PRO 346 CO 0.01 -1.46 -0.10 0.08 -0.33 0.00 0.00 177.00 175.19 3gyr s VAL 347 N -1.54 1.90 0.32 3.83 1.01 -0.43 -4.94 120.40 120.54 3gyr s VAL 347 Ca 0.80 -1.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 3gyr s VAL 347 Cb -0.34 -2.00 -0.11 0.00 0.00 0.00 0.00 36.38 33.93 3gyr s VAL 347 CO 0.38 0.06 1.52 -2.16 0.00 0.00 0.00 175.10 174.89 3gyr s PRO 348 N 1.25 4.15 -0.41 2.72 0.05 -1.26 -0.57 135.00 140.94 3gyr s PRO 348 Ca -0.05 2.52 0.01 0.00 0.05 0.00 0.00 61.00 63.53 3gyr s PRO 348 Cb -0.18 -3.02 0.11 0.00 0.05 0.00 0.00 34.50 31.46 3gyr s PRO 348 CO -0.07 -0.54 0.15 0.08 0.05 0.00 0.00 177.00 176.67 3gyr s VAL 349 N -0.45 2.74 -1.23 -0.36 1.01 -0.72 -4.87 120.40 116.52 3gyr s VAL 349 Ca 0.58 -2.43 0.13 0.00 0.00 0.00 0.00 61.98 60.26 3gyr s VAL 349 Cb -0.46 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.00 3gyr s VAL 349 CO 0.53 -0.67 0.76 0.47 0.00 0.00 0.00 175.10 176.18 3gyr n ASP 350 N 4.15 1.51 -3.61 3.32 8.00 -1.26 -4.07 116.55 124.59 3gyr n ASP 350 Ca 0.02 -1.25 -0.24 0.00 0.71 0.00 0.00 54.79 54.04 3gyr n ASP 350 Cb 0.40 0.39 0.08 0.00 -0.02 0.00 0.00 41.12 41.97 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 -0.04 -2.74 0.00 1.24 3.01 -1.06 -3.99 117.46 113.88 3gyr n PHE 351 Ca 0.06 1.00 0.00 0.00 1.01 0.00 0.00 57.45 59.51 3gyr n PHE 351 Cb 0.27 -4.94 0.00 0.00 -0.01 0.00 0.00 39.48 34.80 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 -3.02 0.00 -0.02 4.37 3.85 -1.19 -4.74 116.55 115.80 3gyr n ASP 352 Ca -0.03 0.00 -0.02 0.00 -0.71 0.00 0.00 54.79 54.02 3gyr n ASP 352 Cb 0.57 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.32 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 3.88 -0.68 -1.12 8.00 -1.26 -3.45 116.55 121.92 3gyr n ASP 353 Ca 0.00 -0.01 0.52 0.00 0.71 0.00 0.00 54.79 56.01 3gyr n ASP 353 Cb 0.00 0.23 0.82 0.00 -0.02 0.00 0.00 41.12 42.14 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 0.03 -0.37 -3.53 2.02 -2.01 -3.35 112.91 105.71 3gyr h THR 354 Ca -0.10 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.10 3gyr h THR 354 Cb 1.18 0.03 -0.16 0.00 -1.74 0.00 0.00 68.15 67.46 3gyr h THR 354 CO -0.01 0.00 -0.20 -0.22 0.37 0.00 0.00 175.52 175.47 3gyr s LEU 355 N -7.88 -0.54 0.57 2.58 2.96 -1.26 -4.81 118.68 110.30 3gyr s LEU 355 Ca -0.05 -0.51 0.35 0.00 -0.22 0.00 0.00 54.13 53.70 3gyr s LEU 355 Cb 0.26 0.70 1.54 0.00 0.50 0.00 0.00 46.19 49.19 3gyr s LEU 355 CO 0.89 -0.03 2.05 1.55 -1.32 0.00 0.00 176.35 179.48 3gyr h PRO 356 N 4.84 0.00 -3.96 0.98 0.13 -1.69 -2.80 132.00 129.49 3gyr h PRO 356 Ca -0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 3gyr h PRO 356 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 3gyr h PRO 356 CO -0.07 0.00 -0.59 0.14 -0.23 0.00 0.00 178.00 177.26 3gyr s VAL 357 N -3.74 0.16 -0.47 1.56 -7.23 -1.26 -4.58 120.40 104.83 3gyr s VAL 357 Ca 0.00 -1.28 -0.19 0.00 -1.81 0.00 0.00 61.98 58.70 3gyr s VAL 357 Cb 0.10 -1.01 0.04 0.00 0.56 0.00 0.00 36.38 36.07 3gyr s VAL 357 CO 0.52 -0.71 0.59 -0.22 -0.31 0.00 0.00 175.10 174.98 3gyr s LEU 358 N -2.30 4.80 -0.42 1.32 2.96 -0.02 -4.84 118.68 120.18 3gyr s LEU 358 Ca -0.03 -0.69 -0.18 0.00 -0.22 0.00 0.00 54.13 53.01 3gyr s LEU 358 Cb 0.01 -2.52 0.02 0.00 0.50 0.00 0.00 46.19 44.20 3gyr s LEU 358 CO -0.06 -0.79 0.51 -0.55 -1.32 0.00 0.00 176.35 174.14 3gyr s SER 359 N 2.28 6.25 -0.41 3.68 0.15 -1.26 -0.18 113.70 124.21 3gyr s SER 359 Ca 0.17 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.31 3gyr s SER 359 Cb -0.17 -2.26 0.11 0.00 -1.71 0.00 0.00 66.02 61.99 3gyr s SER 359 CO 0.14 -0.63 0.20 0.00 1.20 0.00 0.00 173.24 174.15 3gyr s ALA 360 N 2.40 3.16 0.66 5.45 0.00 0.14 -4.98 121.76 128.58 3gyr s ALA 360 Ca 0.16 -2.58 -0.11 0.00 0.00 0.00 0.00 51.96 49.44 3gyr s ALA 360 Cb -0.16 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.55 3gyr s ALA 360 CO 0.15 -1.81 1.06 0.00 0.00 0.00 0.00 175.76 175.16 3gyr s ALA 361 N 1.06 3.01 0.21 0.00 0.00 -1.26 -1.45 121.76 123.33 3gyr s ALA 361 Ca 0.09 -0.22 -0.31 0.00 0.00 0.00 0.00 51.96 51.52 3gyr s ALA 361 Cb -0.22 -3.05 -0.15 0.00 0.00 0.00 0.00 23.12 19.70 3gyr s ALA 361 CO -0.04 -0.90 1.10 -2.30 0.00 0.00 0.00 175.76 173.62 3gyr n PRO 362 N -2.87 1.20 -0.03 0.00 -0.02 -1.26 -2.27 135.00 129.75 3gyr n PRO 362 Ca 0.06 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3gyr n PRO 362 Cb 0.56 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 1.09 0.00 -1.65 3.55 0.00 0.49 -4.97 120.51 119.02 3gyr n ALA 363 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 3gyr n ALA 363 Cb 0.27 -0.07 0.02 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.00 3.24 0.01 0.00 2.02 -0.96 -4.86 118.70 118.15 3gyr s GLU 364 Ca 0.00 1.10 0.06 0.00 0.02 0.00 0.00 54.97 56.15 3gyr s GLU 364 Cb 0.00 -2.03 -0.02 0.00 0.10 0.00 0.00 34.13 32.19 3gyr s GLU 364 CO 0.00 -0.87 -0.17 1.03 0.02 0.00 0.00 175.26 175.27 3gyr s ARG 365 N -4.40 1.27 -0.14 1.61 0.52 -1.26 -3.24 118.95 113.32 3gyr s ARG 365 Ca 0.61 -0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 55.09 3gyr s ARG 365 Cb -0.15 -1.28 0.04 0.00 0.52 0.00 0.00 34.95 34.09 3gyr s ARG 365 CO 0.42 0.34 -0.01 -0.06 0.02 0.00 0.00 175.30 176.02 3gyr s PHE 366 N -0.59 1.09 -0.52 -0.53 0.08 0.57 -3.38 117.98 114.69 3gyr s PHE 366 Ca 0.06 -0.65 -0.19 0.00 0.12 0.00 0.00 56.93 56.27 3gyr s PHE 366 Cb -0.07 -1.03 0.07 0.00 -0.57 0.00 0.00 43.02 41.42 3gyr s PHE 366 CO 0.00 -0.50 0.61 0.34 -0.10 0.00 0.00 175.22 175.58 3gyr s ASP 367 N 1.84 6.20 -0.11 1.36 -1.08 -0.49 -0.92 116.67 123.47 3gyr s ASP 367 Ca 0.02 -1.11 0.01 0.00 -0.52 0.00 0.00 52.55 50.96 3gyr s ASP 367 Cb -0.15 -2.28 -0.02 0.00 -1.46 0.00 0.00 42.92 39.02 3gyr s ASP 367 CO -0.07 -0.92 -0.15 -0.76 0.52 0.00 0.00 175.17 173.80 3gyr s LEU 368 N 2.50 2.64 -0.05 -1.34 1.43 -0.43 0.99 118.68 124.41 3gyr s LEU 368 Ca 0.13 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 3gyr s LEU 368 Cb -0.21 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3gyr s LEU 368 CO 0.10 0.20 0.35 -0.76 0.23 0.00 0.00 176.35 176.47 3gyr s LEU 369 N 0.12 4.42 -0.20 1.79 1.43 0.17 0.01 118.68 126.42 3gyr s LEU 369 Ca -0.07 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 3gyr s LEU 369 Cb -0.15 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.64 3gyr s LEU 369 CO 0.05 0.29 -0.06 -0.69 0.23 0.00 0.00 176.35 176.17 3gyr s VAL 370 N -0.75 1.32 -0.57 -1.59 1.01 0.03 -0.35 120.40 119.50 3gyr s VAL 370 Ca 0.21 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 3gyr s VAL 370 Cb -0.15 -1.52 0.07 0.00 0.00 0.00 0.00 36.38 34.78 3gyr s VAL 370 CO 0.10 0.04 0.75 -0.62 0.00 0.00 0.00 175.10 175.37 3gyr s ASP 371 N 1.52 6.21 -0.17 3.32 2.15 0.01 -1.47 116.67 128.25 3gyr s ASP 371 Ca -0.02 -1.04 0.15 0.00 0.43 0.00 0.00 52.55 52.07 3gyr s ASP 371 Cb -0.17 -2.33 0.75 0.00 -0.30 0.00 0.00 42.92 40.87 3gyr s ASP 371 CO -0.07 -1.10 1.65 0.49 -0.17 0.00 0.00 175.17 175.96 3gyr n PHE 372 N 6.64 1.74 -0.36 -5.34 3.72 -0.78 -4.59 117.46 118.50 3gyr n PHE 372 Ca -0.06 -0.64 0.01 0.00 -0.05 0.00 0.00 57.45 56.72 3gyr n PHE 372 Cb 0.45 -0.37 0.17 0.00 -0.94 0.00 0.00 39.48 38.78 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 3.89 1.17 -0.43 -1.08 3.08 -1.74 -1.88 114.38 117.40 3gyr h ARG 373 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3gyr h ARG 373 Cb 1.68 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 31.47 3gyr h ARG 373 CO 0.36 0.78 0.00 0.00 -1.07 0.00 0.00 179.97 180.03 3gyr n ALA 374 N -2.38 2.61 -1.28 0.04 0.00 -1.26 -4.41 120.51 113.83 3gyr n ALA 374 Ca 0.14 -0.57 0.08 0.00 0.00 0.00 0.00 53.44 53.09 3gyr n ALA 374 Cb 0.13 -1.00 0.12 0.00 0.00 0.00 0.00 19.45 18.70 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 0.33 1.94 -4.74 0.00 4.77 -0.71 -5.05 117.00 113.53 3gyr n LEU 375 Ca 0.10 -2.75 -0.38 0.00 -0.03 0.00 0.00 56.01 52.95 3gyr n LEU 375 Cb 0.34 -0.35 0.05 0.00 -2.33 0.00 0.00 43.42 41.12 3gyr n LEU 375 CO 0.08 0.66 0.98 0.61 -1.33 0.00 0.00 177.39 178.39 3gyr n GLY 376 N -1.15 0.76 3.20 -0.72 0.00 -1.26 -2.04 105.19 103.98 3gyr n GLY 376 Ca 0.13 0.01 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 0.77 0.44 3.92 -0.02 0.00 0.45 -4.79 105.19 105.96 3gyr n GLY 377 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.63 3.28 -0.14 1.61 1.81 -0.86 -4.90 118.95 119.11 3gyr s ARG 378 Ca 0.00 -0.84 0.02 0.00 -1.72 0.00 0.00 55.73 53.19 3gyr s ARG 378 Cb 0.00 -2.79 0.01 0.00 -0.45 0.00 0.00 34.95 31.72 3gyr s ARG 378 CO 0.00 0.43 -0.20 1.03 -0.68 0.00 0.00 175.30 175.88 3gyr s ARG 379 N -3.88 2.80 0.13 3.54 0.52 -1.26 -0.86 118.95 119.94 3gyr s ARG 379 Ca 0.34 -0.77 0.11 0.00 -0.52 0.00 0.00 55.73 54.89 3gyr s ARG 379 Cb -0.09 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 3gyr s ARG 379 CO 0.28 -0.09 -0.27 -0.51 0.02 0.00 0.00 175.30 174.73 3gyr s LEU 380 N 1.02 2.33 -0.10 2.53 1.43 0.01 -3.51 118.68 122.38 3gyr s LEU 380 Ca -0.03 -0.75 0.03 0.00 -1.03 0.00 0.00 54.13 52.35 3gyr s LEU 380 Cb -0.15 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.86 3gyr s LEU 380 CO -0.05 0.18 -0.19 -0.13 0.23 0.00 0.00 176.35 176.39 3gyr s ARG 381 N -2.08 2.51 0.14 1.70 0.52 0.34 -0.05 118.95 122.03 3gyr s ARG 381 Ca 0.14 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 3gyr s ARG 381 Cb -0.10 -2.00 -0.07 0.00 0.52 0.00 0.00 34.95 33.29 3gyr s ARG 381 CO 0.06 0.05 1.22 -0.51 0.02 0.00 0.00 175.30 176.14 3gyr s LEU 382 N 0.66 4.42 0.15 2.53 1.43 -0.37 -0.91 118.68 126.59 3gyr s LEU 382 Ca -0.13 2.17 0.03 0.00 -1.03 0.00 0.00 54.13 55.18 3gyr s LEU 382 Cb -0.16 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 3gyr s LEU 382 CO 0.03 -0.43 -0.07 0.68 0.23 0.00 0.00 176.35 176.79 3gyr s VAL 383 N 0.43 1.00 -0.18 -1.59 -7.23 -0.10 -1.31 120.40 111.42 3gyr s VAL 383 Ca 0.56 -2.02 -0.18 0.00 -1.81 0.00 0.00 61.98 58.53 3gyr s VAL 383 Cb -0.32 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 3gyr s VAL 383 CO 0.33 -0.69 0.47 -0.62 -0.31 0.00 0.00 175.10 174.28 3gyr s ASP 384 N -3.16 6.55 -0.21 4.85 2.15 0.94 -0.84 116.67 126.95 3gyr s ASP 384 Ca 0.18 0.66 -0.17 0.00 0.43 0.00 0.00 52.55 53.64 3gyr s ASP 384 Cb 0.04 -2.27 -0.03 0.00 -0.30 0.00 0.00 42.92 40.35 3gyr s ASP 384 CO 0.01 -0.11 0.47 -0.75 -0.17 0.00 0.00 175.17 174.62 3gyr s LYS 385 N 1.33 4.16 0.58 4.34 2.20 -0.12 -4.58 119.74 127.65 3gyr s LYS 385 Ca 0.23 0.32 -0.08 0.00 -0.36 0.00 0.00 55.97 56.08 3gyr s LYS 385 Cb -0.15 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 3gyr s LYS 385 CO 0.09 -0.14 0.93 0.20 -0.36 0.00 0.00 175.35 176.07 3gyr s GLY 386 N 1.19 1.59 0.41 5.54 0.00 -1.26 -4.68 107.32 110.11 3gyr s GLY 386 Ca 0.22 -0.38 0.22 0.00 0.00 0.00 0.00 44.72 44.77 3gyr s GLY 386 CO 0.09 -0.13 1.80 -0.56 0.00 0.00 0.00 173.10 174.30 3gyr h PRO 387 N -0.14 0.00 -0.49 2.90 0.13 -1.92 -3.25 132.00 129.23 3gyr h PRO 387 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3gyr h PRO 387 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3gyr h PRO 387 CO 0.62 0.29 0.00 0.41 -0.23 0.00 0.00 178.00 179.09 3gyr n GLY 388 N 0.13 1.94 3.34 1.56 0.00 -1.26 -4.96 105.19 105.94 3gyr n GLY 388 Ca -0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.36 -1.13 0.81 4.61 0.00 -1.23 -5.06 121.76 118.40 3gyr s ALA 389 Ca 0.42 0.66 -0.13 0.00 0.00 0.00 0.00 51.96 52.91 3gyr s ALA 389 Cb 0.24 0.07 0.09 0.00 0.00 0.00 0.00 23.12 23.52 3gyr s ALA 389 CO 0.32 -0.31 1.18 -2.14 0.00 0.00 0.00 175.76 174.81 3gyr s PRO 390 N -1.37 1.66 0.12 0.00 0.02 -1.26 -4.35 135.00 129.81 3gyr s PRO 390 Ca -0.12 1.64 -0.36 0.00 0.02 0.00 0.00 61.00 62.18 3gyr s PRO 390 Cb -0.03 -1.79 -0.16 0.00 0.02 0.00 0.00 34.50 32.54 3gyr s PRO 390 CO 0.06 -2.17 1.43 0.00 -0.33 0.00 0.00 177.00 175.98 3gyr n ALA 391 N -3.43 -0.06 0.00 -1.55 0.00 -1.26 -1.57 120.51 112.64 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 0.51 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 2.87 3.09 3.67 0.00 0.00 -1.26 -4.90 105.19 108.65 3gyr n GLY 392 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.65 5.26 0.34 2.61 2.01 -0.61 -4.88 115.64 117.71 3gyr s THR 393 Ca 0.00 0.14 -0.26 0.00 0.31 0.00 0.00 61.69 61.88 3gyr s THR 393 Cb 0.00 -3.42 -0.14 0.00 0.01 0.00 0.00 72.50 68.95 3gyr s THR 393 CO 0.00 0.39 0.76 -2.65 -0.69 0.00 0.00 174.62 172.43 3gyr n PRO 394 N 3.97 0.85 -3.02 4.92 -0.02 -1.26 -4.66 135.00 135.79 3gyr n PRO 394 Ca -0.16 0.30 -0.15 0.00 -2.02 0.00 0.00 63.50 61.48 3gyr n PRO 394 Cb 0.52 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 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 1.29 0.35 -0.05 2.55 2.03 0.69 -4.87 116.55 118.53 3gyr n ASP 395 Ca 0.12 -3.05 0.19 0.00 0.52 0.00 0.00 54.79 52.56 3gyr n ASP 395 Cb 0.34 -0.16 0.63 0.00 -0.72 0.00 0.00 41.12 41.22 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 2.96 0.13 0.00 -0.67 0.13 -1.84 0.22 132.00 132.93 3gyr h PRO 396 Ca 0.03 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.08 3gyr h PRO 396 Cb 1.03 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 3gyr h PRO 396 CO 0.42 0.08 -0.34 -0.07 -0.23 0.00 0.00 178.00 177.87 3gyr h LEU 397 N 0.13 0.00 -1.96 1.56 3.38 -1.92 -2.25 115.31 114.25 3gyr h LEU 397 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3gyr h LEU 397 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3gyr h LEU 397 CO -0.04 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.44 3gyr n GLY 398 N -0.10 1.50 1.41 0.83 0.00 0.69 -4.87 105.19 104.65 3gyr n GLY 398 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.16 0.63 2.29 -0.02 0.00 -0.85 -4.58 105.19 103.82 3gyr n GLY 399 Ca 0.17 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.71 0.60 0.08 1.61 0.31 -0.71 -4.92 118.33 112.59 3gyr n VAL 400 Ca 0.00 -4.53 0.02 0.00 -0.01 0.00 0.00 64.34 59.83 3gyr n VAL 400 Cb 0.00 -2.00 0.39 0.00 -0.91 0.00 0.00 33.84 31.32 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 4.05 0.34 -3.66 5.55 2.43 -1.83 0.20 114.38 121.46 3gyr h ARG 401 Ca 0.12 -0.06 -0.61 0.00 -0.81 0.00 0.00 59.98 58.62 3gyr h ARG 401 Cb 0.79 -0.06 -0.40 0.00 -0.42 0.00 0.00 29.97 29.88 3gyr h ARG 401 CO 0.62 0.39 -0.73 0.71 -1.51 0.00 0.00 179.97 179.44 3gyr s TYR 402 N -4.95 2.34 0.48 2.20 4.12 -1.26 -4.44 117.35 115.84 3gyr s TYR 402 Ca -0.06 -2.30 0.27 0.00 0.02 0.00 0.00 57.07 55.00 3gyr s TYR 402 Cb 0.16 -2.11 1.53 0.00 -1.52 0.00 0.00 41.96 40.02 3gyr s TYR 402 CO 0.73 -0.86 2.13 -1.35 0.02 0.00 0.00 175.55 176.22 3gyr h PRO 403 N 7.53 0.00 -6.74 -1.71 0.11 -1.81 -3.45 132.00 125.92 3gyr h PRO 403 Ca -0.08 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.51 3gyr h PRO 403 Cb 0.99 0.00 0.07 0.00 0.11 0.00 0.00 31.00 32.17 3gyr h PRO 403 CO 0.50 0.08 0.90 -1.83 -0.21 0.00 0.00 178.00 177.44 3gyr s GLU 404 N -4.39 4.15 -0.05 1.05 1.03 -1.26 -0.04 118.70 119.19 3gyr s GLU 404 Ca -0.04 2.53 -0.07 0.00 0.03 0.00 0.00 54.97 57.42 3gyr s GLU 404 Cb 0.14 -3.06 -0.02 0.00 -0.80 0.00 0.00 34.13 30.39 3gyr s GLU 404 CO 0.58 -0.63 -0.14 0.28 -1.33 0.00 0.00 175.26 174.02 3gyr n VAL 405 N 2.77 0.92 -3.43 1.83 0.31 -0.43 -4.62 118.33 115.68 3gyr n VAL 405 Ca 0.10 0.27 -0.12 0.00 -0.01 0.00 0.00 64.34 64.58 3gyr n VAL 405 Cb 0.37 -1.81 -0.02 0.00 -0.91 0.00 0.00 33.84 31.48 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 -2.03 1.28 -0.11 5.55 0.23 -1.13 -4.01 119.30 119.08 3gyr s MET 406 Ca -0.12 -0.48 -0.00 0.00 -1.03 0.00 0.00 55.69 54.06 3gyr s MET 406 Cb 0.02 0.59 -0.02 0.00 -1.53 0.00 0.00 34.83 33.88 3gyr s MET 406 CO 0.18 -0.56 -0.10 -2.00 -2.03 0.00 0.00 175.02 170.51 3gyr s GLU 407 N -3.74 3.22 -0.19 3.16 2.12 -0.93 -1.23 118.70 121.11 3gyr s GLU 407 Ca 0.01 -0.61 -0.10 0.00 0.36 0.00 0.00 54.97 54.62 3gyr s GLU 407 Cb -0.01 -2.67 -0.05 0.00 0.26 0.00 0.00 34.13 31.66 3gyr s GLU 407 CO -0.12 0.37 0.15 -0.06 -0.54 0.00 0.00 175.26 175.05 3gyr s PHE 408 N -0.02 3.42 -0.31 5.30 0.40 0.93 0.13 117.98 127.83 3gyr s PHE 408 Ca -0.02 0.37 -0.05 0.00 -0.60 0.00 0.00 56.93 56.63 3gyr s PHE 408 Cb -0.14 -2.18 0.03 0.00 0.51 0.00 0.00 43.02 41.24 3gyr s PHE 408 CO 0.03 0.29 0.06 1.03 0.70 0.00 0.00 175.22 177.33 3gyr s ARG 409 N 0.35 2.75 -0.29 0.44 0.52 0.07 -0.81 118.95 121.99 3gyr s ARG 409 Ca 0.09 -1.07 -0.16 0.00 -0.52 0.00 0.00 55.73 54.06 3gyr s ARG 409 Cb -0.11 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 3gyr s ARG 409 CO -0.01 -0.56 0.45 0.08 0.02 0.00 0.00 175.30 175.28 3gyr s VAL 410 N 1.40 5.11 0.00 3.52 1.01 -0.04 -1.04 120.40 130.35 3gyr s VAL 410 Ca -0.01 0.60 -0.26 0.00 0.00 0.00 0.00 61.98 62.31 3gyr s VAL 410 Cb -0.18 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3gyr s VAL 410 CO 0.01 0.05 0.81 -0.60 0.00 0.00 0.00 175.10 175.37 3gyr s ARG 411 N 2.21 4.51 0.03 2.72 3.52 0.64 -0.41 118.95 132.16 3gyr s ARG 411 Ca 0.18 1.12 -0.30 0.00 -0.13 0.00 0.00 55.73 56.59 3gyr s ARG 411 Cb -0.16 -3.41 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 3gyr s ARG 411 CO 0.10 0.13 1.26 -2.00 -0.81 0.00 0.00 175.30 173.98 3gyr s GLU 412 N 0.47 4.37 0.43 5.12 2.12 -1.26 -1.97 118.70 127.98 3gyr s GLU 412 Ca 0.42 1.82 0.04 0.00 0.36 0.00 0.00 54.97 57.61 3gyr s GLU 412 Cb -0.20 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.71 3gyr s GLU 412 CO 0.23 -0.38 0.03 0.99 -0.54 0.00 0.00 175.26 175.59 3gyr s THR 413 N 1.60 1.43 -0.11 -1.70 2.01 -1.26 -4.97 115.64 112.64 3gyr s THR 413 Ca 0.60 -2.00 0.14 0.00 0.31 0.00 0.00 61.69 60.73 3gyr s THR 413 Cb -0.29 -2.61 0.01 0.00 0.01 0.00 0.00 72.50 69.62 3gyr s THR 413 CO 0.27 0.00 1.40 0.00 -0.69 0.00 0.00 174.62 175.60 3gyr s GLU 415 N -2.92 3.58 -0.28 0.00 2.02 -1.26 -4.98 118.70 114.87 3gyr s GLU 415 Ca 0.03 2.32 -0.16 0.00 0.02 0.00 0.00 54.97 57.19 3gyr s GLU 415 Cb 0.08 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.72 3gyr s GLU 415 CO 0.76 -0.86 0.41 -1.21 0.02 0.00 0.00 175.26 174.38 3gyr s GLU 416 N -2.55 3.96 -0.35 1.61 0.41 -1.26 -5.04 118.70 115.48 3gyr s GLU 416 Ca 0.63 0.04 -0.12 0.00 -0.41 0.00 0.00 54.97 55.11 3gyr s GLU 416 Cb -0.42 -3.68 -0.00 0.00 -1.78 0.00 0.00 34.13 28.25 3gyr s GLU 416 CO 0.53 -0.34 0.22 0.34 -0.49 0.00 0.00 175.26 175.51 3gyr s ASP 417 N 1.64 5.87 -0.43 -0.19 -1.08 -1.26 -4.97 116.67 116.25 3gyr s ASP 417 Ca 0.16 -0.60 0.04 0.00 -0.52 0.00 0.00 52.55 51.63 3gyr s ASP 417 Cb -0.16 -2.09 0.46 0.00 -1.46 0.00 0.00 42.92 39.68 3gyr s ASP 417 CO 0.10 -0.28 1.54 -1.54 0.52 0.00 0.00 175.17 175.52 3gyr n SER 418 N 5.06 5.64 -4.75 -0.34 3.41 -1.26 -5.01 113.62 116.38 3gyr n SER 418 Ca -0.13 -3.77 -0.41 0.00 -0.26 0.00 0.00 58.87 54.30 3gyr n SER 418 Cb 0.49 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 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 -3.64 2.89 -0.12 7.33 5.36 -1.26 -5.00 117.98 123.54 3gyr s PHE 419 Ca 0.55 0.93 -0.00 0.00 -0.96 0.00 0.00 56.93 57.45 3gyr s PHE 419 Cb 0.45 -3.93 -0.02 0.00 -0.34 0.00 0.00 43.02 39.18 3gyr s PHE 419 CO 0.02 -3.07 -0.12 0.00 -1.46 0.00 0.00 175.22 170.59 3gyr s ALA 420 N -0.04 2.68 -0.33 11.12 0.00 -1.26 -5.10 121.76 128.83 3gyr s ALA 420 Ca 0.61 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 51.60 3gyr s ALA 420 Cb -0.45 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.47 3gyr s ALA 420 CO 0.46 0.29 0.12 -1.17 0.00 0.00 0.00 175.76 175.46 3gyr s LEU 421 N 0.20 4.24 0.71 0.00 2.96 -1.26 -5.07 118.68 120.45 3gyr s LEU 421 Ca -0.07 -0.93 -0.11 0.00 -0.22 0.00 0.00 54.13 52.79 3gyr s LEU 421 Cb -0.15 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.64 3gyr s LEU 421 CO 0.05 -0.29 1.07 -2.16 -1.32 0.00 0.00 176.35 173.70 3gyr s PRO 422 N 1.48 2.85 0.14 0.98 0.04 -1.26 -4.97 135.00 134.26 3gyr s PRO 422 Ca 0.01 0.72 -0.10 0.00 0.04 0.00 0.00 61.00 61.67 3gyr s PRO 422 Cb -0.19 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3gyr s PRO 422 CO 0.04 -1.10 1.44 0.93 0.04 0.00 0.00 177.00 178.34 3gyr h GLU 423 N -0.71 0.84 -5.24 4.56 4.39 -1.98 -3.40 114.58 113.02 3gyr h GLU 423 Ca -0.45 -0.51 -0.61 0.00 0.34 0.00 0.00 59.36 58.13 3gyr h GLU 423 Cb 1.23 0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 29.79 3gyr h GLU 423 CO 0.60 1.15 -0.53 0.08 -1.16 0.00 0.00 179.01 179.15 3gyr s VAL 424 N -4.17 5.09 -0.23 3.13 1.01 -1.26 -4.15 120.40 119.83 3gyr s VAL 424 Ca -0.10 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 3gyr s VAL 424 Cb 0.11 -3.32 -0.17 0.00 0.00 0.00 0.00 36.38 32.99 3gyr s VAL 424 CO 0.88 0.44 -0.02 0.18 0.00 0.00 0.00 175.10 176.57 3gyr n LEU 425 N 3.66 2.15 -4.25 3.92 4.77 0.81 -4.95 117.00 123.10 3gyr n LEU 425 Ca -0.16 0.29 -0.32 0.00 -0.03 0.00 0.00 56.01 55.79 3gyr n LEU 425 Cb 0.52 -0.93 -0.16 0.00 -2.33 0.00 0.00 43.42 40.52 3gyr n LEU 425 CO 0.36 0.55 -0.54 -0.55 -1.33 0.00 0.00 177.39 175.88 3gyr s SER 426 N -7.07 3.26 0.10 -1.43 0.15 -1.14 -4.99 113.70 102.58 3gyr s SER 426 Ca -0.32 -0.51 0.23 0.00 0.70 0.00 0.00 55.95 56.05 3gyr s SER 426 Cb 0.10 -1.40 0.18 0.00 -1.71 0.00 0.00 66.02 63.18 3gyr s SER 426 CO 0.58 0.17 1.16 0.61 1.20 0.00 0.00 173.24 176.96 3gyr n GLY 427 N 3.47 -1.34 0.10 9.45 0.00 -1.26 -3.78 105.19 111.83 3gyr n GLY 427 Ca -0.19 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.11 1.61 4.64 -2.00 -3.46 113.55 112.23 3gyr h SER 428 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 3gyr h SER 428 Cb 0.78 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.92 3gyr h SER 428 CO 0.00 0.79 0.73 0.33 -0.87 0.00 0.00 176.83 177.81 3gyr n PHE 429 N -3.36 2.09 -4.43 4.77 7.35 -1.25 -4.99 117.46 117.64 3gyr n PHE 429 Ca 0.00 0.35 -0.29 0.00 -0.76 0.00 0.00 57.45 56.76 3gyr n PHE 429 Cb 0.83 -2.50 -0.17 0.00 0.35 0.00 0.00 39.48 38.00 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 0.99 2.21 0.16 -4.13 1.81 -1.26 -5.08 118.95 113.65 3gyr s ARG 430 Ca 0.81 -0.56 -0.33 0.00 -1.72 0.00 0.00 55.73 53.93 3gyr s ARG 430 Cb -0.75 -1.89 -0.13 0.00 -0.45 0.00 0.00 34.95 31.73 3gyr s ARG 430 CO 0.41 -0.07 1.65 -2.13 -0.68 0.00 0.00 175.30 174.48 3gyr n ARG 431 N 4.23 2.37 -2.02 3.54 3.00 -1.26 -4.94 116.66 121.58 3gyr n ARG 431 Ca -0.19 0.86 -0.42 0.00 -0.00 0.00 0.00 57.85 58.10 3gyr n ARG 431 Cb 0.51 -2.66 -0.03 0.00 0.00 0.00 0.00 32.46 30.28 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 1.27 4.24 -0.18 -0.14 -1.94 -1.26 -5.02 119.30 116.26 3gyr s MET 432 Ca 0.79 2.23 -0.08 0.00 -1.71 0.00 0.00 55.69 56.91 3gyr s MET 432 Cb -0.62 -3.45 -0.04 0.00 2.01 0.00 0.00 34.83 32.73 3gyr s MET 432 CO 0.37 -0.63 0.10 0.45 -0.01 0.00 0.00 175.02 175.30 3gyr s SER 433 N 1.85 5.97 0.34 3.03 0.15 -1.26 -4.97 113.70 118.81 3gyr s SER 433 Ca 0.70 0.19 0.19 0.00 0.70 0.00 0.00 55.95 57.73 3gyr s SER 433 Cb -0.39 -2.02 1.04 0.00 -1.71 0.00 0.00 66.02 62.95 3gyr s SER 433 CO 0.31 0.21 1.55 -0.74 1.20 0.00 0.00 173.24 175.76 3gyr h HIS 434 N 6.46 0.00 0.00 3.44 2.76 -2.02 -1.87 115.15 123.92 3gyr h HIS 434 Ca -0.41 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 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 0.59 0.00 0.00 -0.44 -1.30 0.00 0.00 177.93 176.78 3gyr h ASP 435 N 0.00 0.00 -3.41 3.26 3.32 -2.02 -3.44 116.42 114.13 3gyr h ASP 435 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3gyr h ASP 435 Cb 0.23 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.81 3gyr h ASP 435 CO 0.00 0.00 0.62 -0.63 -1.72 0.00 0.00 179.24 177.51 3gyr s ILE 436 N -3.38 3.32 0.39 0.35 1.01 -0.70 -4.95 121.20 117.24 3gyr s ILE 436 Ca 0.04 1.09 -0.27 0.00 0.00 0.00 0.00 60.65 61.51 3gyr s ILE 436 Cb 0.09 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 3gyr s ILE 436 CO 0.44 0.17 1.38 -2.16 0.00 0.00 0.00 174.94 174.76 3gyr s PRO 437 N -0.13 4.01 0.10 2.79 0.04 -1.26 -5.00 135.00 135.55 3gyr s PRO 437 Ca 0.56 2.33 -0.22 0.00 0.04 0.00 0.00 61.00 63.70 3gyr s PRO 437 Cb -0.35 -2.84 0.06 0.00 0.04 0.00 0.00 34.50 31.40 3gyr s PRO 437 CO 0.38 -0.52 0.54 -3.38 0.04 0.00 0.00 177.00 174.05 3gyr s HIS 438 N -1.19 -0.44 0.81 0.56 -3.43 -1.26 -4.43 115.29 105.92 3gyr s HIS 438 Ca 0.55 0.35 -0.08 0.00 -0.80 0.00 0.00 55.06 55.09 3gyr s HIS 438 Cb -0.42 0.41 0.15 0.00 -1.43 0.00 0.00 32.58 31.29 3gyr s HIS 438 CO 0.55 -0.73 1.13 0.20 -2.00 0.00 0.00 174.74 173.89 3gyr s GLY 439 N -2.36 1.76 -0.02 -1.38 0.00 -0.80 -4.89 107.32 99.63 3gyr s GLY 439 Ca -0.02 -1.40 0.03 0.00 0.00 0.00 0.00 44.72 43.34 3gyr s GLY 439 CO -0.07 -0.78 -0.12 0.30 0.00 0.00 0.00 173.10 172.43 3gyr s HIS 440 N -3.45 1.13 0.05 1.90 3.76 -1.26 -0.28 115.29 117.15 3gyr s HIS 440 Ca 0.68 -0.25 0.09 0.00 -0.15 0.00 0.00 55.06 55.43 3gyr s HIS 440 Cb -0.06 -0.76 -0.03 0.00 1.11 0.00 0.00 32.58 32.85 3gyr s HIS 440 CO 0.48 -0.06 -0.25 1.03 -0.85 0.00 0.00 174.74 175.09 3gyr s ARG 441 N -0.11 1.64 -0.22 1.40 1.81 0.02 -4.96 118.95 118.53 3gyr s ARG 441 Ca 0.01 -1.09 -0.03 0.00 -1.72 0.00 0.00 55.73 52.90 3gyr s ARG 441 Cb -0.07 -1.84 -0.00 0.00 -0.45 0.00 0.00 34.95 32.60 3gyr s ARG 441 CO 0.00 0.47 -0.06 -1.17 -0.68 0.00 0.00 175.30 173.86 3gyr s LEU 442 N -1.31 2.83 -0.20 2.53 2.96 -1.26 -1.00 118.68 123.22 3gyr s LEU 442 Ca 0.11 -0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 53.54 3gyr s LEU 442 Cb -0.10 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.91 3gyr s LEU 442 CO 0.02 -0.03 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.25 3gyr s ILE 443 N 1.44 2.45 -0.07 6.68 1.09 0.46 -2.51 121.20 130.74 3gyr s ILE 443 Ca 0.05 -0.90 -0.13 0.00 -1.10 0.00 0.00 60.65 58.57 3gyr s ILE 443 Cb -0.14 -2.10 -0.05 0.00 -1.06 0.00 0.00 42.46 39.10 3gyr s ILE 443 CO -0.05 0.44 0.33 -0.69 -0.10 0.00 0.00 174.94 174.87 3gyr s VAL 444 N 1.32 5.20 -0.24 2.92 1.01 -0.27 0.38 120.40 130.72 3gyr s VAL 444 Ca 0.04 0.64 -0.08 0.00 0.00 0.00 0.00 61.98 62.58 3gyr s VAL 444 Cb -0.14 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3gyr s VAL 444 CO -0.09 0.54 0.09 -0.76 0.00 0.00 0.00 175.10 174.87 3gyr s LEU 445 N -0.68 3.57 0.16 3.92 1.43 0.49 -0.49 118.68 127.08 3gyr s LEU 445 Ca 0.20 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.13 3gyr s LEU 445 Cb -0.15 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 3gyr s LEU 445 CO 0.09 -0.01 0.38 0.42 0.23 0.00 0.00 176.35 177.47 3gyr s THR 446 N 1.45 5.17 0.76 5.49 -4.23 -0.90 -1.18 115.64 122.20 3gyr s THR 446 Ca 0.06 -0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.39 3gyr s THR 446 Cb -0.15 -3.65 0.06 0.00 1.34 0.00 0.00 72.50 70.10 3gyr s THR 446 CO 0.04 -0.02 1.13 -2.84 -0.54 0.00 0.00 174.62 172.39 3gyr s PRO 447 N -2.82 2.15 0.33 3.99 0.02 -1.26 -3.50 135.00 133.90 3gyr s PRO 447 Ca 0.41 1.41 0.01 0.00 0.02 0.00 0.00 61.00 62.84 3gyr s PRO 447 Cb -0.12 -1.87 0.55 0.00 0.02 0.00 0.00 34.50 33.09 3gyr s PRO 447 CO 0.26 -1.76 1.97 -1.35 -0.33 0.00 0.00 177.00 175.79 3gyr h PRO 448 N -0.81 0.89 0.00 5.54 0.11 -1.84 -2.98 132.00 132.91 3gyr h PRO 448 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3gyr h PRO 448 Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gyr h PRO 448 CO 0.50 0.62 0.00 0.41 -0.21 0.00 0.00 178.00 179.32 3gyr n GLY 449 N -1.33 -0.53 3.77 -0.55 0.00 -1.26 -3.22 105.19 102.07 3gyr n GLY 449 Ca 0.07 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 2.65 0.21 2.61 2.01 -1.13 -4.72 115.64 115.28 3gyr s THR 450 Ca 0.13 0.59 -0.32 0.00 0.31 0.00 0.00 61.69 62.40 3gyr s THR 450 Cb 0.06 -3.35 -0.12 0.00 0.01 0.00 0.00 72.50 69.10 3gyr s THR 450 CO 0.10 0.09 1.66 1.17 -0.69 0.00 0.00 174.62 176.95 3gyr n LYS 451 N 0.19 2.58 -0.31 4.92 4.81 0.03 -1.96 118.16 128.43 3gyr n LYS 451 Ca 0.03 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 3gyr n LYS 451 Cb 0.43 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.74 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 3.49 1.20 0.43 3.14 0.00 -1.26 -4.86 105.19 107.33 3gyr n GLY 452 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 1.51 -0.56 1.61 3.41 -0.83 -4.92 113.62 113.84 3gyr n SER 453 Ca 0.00 -1.28 -0.07 0.00 -0.26 0.00 0.00 58.87 57.26 3gyr n SER 453 Cb 0.00 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 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 1.30 0.82 1.63 5.00 0.00 -1.26 -1.90 105.19 110.78 3gyr n GLY 454 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.61 0.57 3.85 -0.02 0.00 -1.24 -4.86 105.19 102.87 3gyr n GLY 455 Ca -0.07 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 3.36 0.78 1.61 3.76 -0.80 -4.59 115.29 117.42 3gyr s HIS 456 Ca 0.00 0.18 -0.14 0.00 -0.15 0.00 0.00 55.06 54.95 3gyr s HIS 456 Cb 0.00 -1.70 0.07 0.00 1.11 0.00 0.00 32.58 32.06 3gyr s HIS 456 CO 0.00 0.56 1.19 -1.25 -0.85 0.00 0.00 174.74 174.39 3gyr s PRO 457 N -2.37 1.84 0.04 8.40 0.04 -1.26 -4.52 135.00 137.17 3gyr s PRO 457 Ca 0.31 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 63.03 3gyr s PRO 457 Cb -0.13 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 3gyr s PRO 457 CO 0.24 -2.05 0.00 -1.21 0.04 0.00 0.00 177.00 174.02 3gyr s GLU 458 N -4.13 0.56 -0.10 4.56 2.02 -1.23 -4.82 118.70 115.57 3gyr s GLU 458 Ca 0.72 -1.01 -0.19 0.00 0.02 0.00 0.00 54.97 54.52 3gyr s GLU 458 Cb -0.27 0.20 -0.04 0.00 0.10 0.00 0.00 34.13 34.11 3gyr s GLU 458 CO 0.49 -0.11 0.51 0.42 0.02 0.00 0.00 175.26 176.59 3gyr s ILE 459 N -3.22 5.14 -0.19 -1.63 1.01 -1.26 -2.12 121.20 118.93 3gyr s ILE 459 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.68 3gyr s ILE 459 Cb 0.03 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.67 3gyr s ILE 459 CO -0.07 0.34 -0.16 0.26 0.00 0.00 0.00 174.94 175.30 3gyr s TRP 460 N 0.47 2.85 0.07 3.97 0.52 0.35 -4.17 118.94 123.00 3gyr s TRP 460 Ca 0.27 -1.57 -0.29 0.00 0.02 0.00 0.00 56.10 54.53 3gyr s TRP 460 Cb -0.16 -1.96 -0.05 0.00 -1.15 0.00 0.00 33.47 30.16 3gyr s TRP 460 CO 0.12 -0.77 0.93 -1.21 0.02 0.00 0.00 176.95 176.04 3gyr s GLU 461 N 1.31 4.63 0.00 4.98 2.02 -0.56 -1.12 118.70 129.96 3gyr s GLU 461 Ca 0.04 1.37 0.08 0.00 0.02 0.00 0.00 54.97 56.49 3gyr s GLU 461 Cb -0.14 -3.40 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 3gyr s GLU 461 CO -0.11 0.16 -0.25 -1.64 0.02 0.00 0.00 175.26 173.44 3gyr s MET 462 N 0.25 2.04 -0.09 1.61 -1.94 -1.04 -0.08 119.30 120.05 3gyr s MET 462 Ca 0.47 -0.97 0.04 0.00 -1.71 0.00 0.00 55.69 53.52 3gyr s MET 462 Cb -0.22 -2.06 -0.00 0.00 2.01 0.00 0.00 34.83 34.56 3gyr s MET 462 CO 0.28 0.55 -0.23 0.00 -0.01 0.00 0.00 175.02 175.61 3gyr s ALA 463 N -0.70 2.23 0.48 3.03 0.00 0.32 -4.52 121.76 122.59 3gyr s ALA 463 Ca 0.11 -0.98 -0.23 0.00 0.00 0.00 0.00 51.96 50.86 3gyr s ALA 463 Cb -0.10 -0.83 -0.07 0.00 0.00 0.00 0.00 23.12 22.12 3gyr s ALA 463 CO 0.00 0.32 1.23 -2.00 0.00 0.00 0.00 175.76 175.31 3gyr s GLU 464 N 0.22 3.62 0.22 0.00 2.12 -1.26 -0.38 118.70 123.25 3gyr s GLU 464 Ca -0.14 1.94 0.07 0.00 0.36 0.00 0.00 54.97 57.19 3gyr s GLU 464 Cb -0.17 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 3gyr s GLU 464 CO 0.07 -0.71 0.12 0.08 -0.54 0.00 0.00 175.26 174.28 3gyr s VAL 465 N -1.45 4.18 -0.39 3.70 1.01 0.48 -4.88 120.40 123.05 3gyr s VAL 465 Ca 0.65 -1.43 0.11 0.00 0.00 0.00 0.00 61.98 61.31 3gyr s VAL 465 Cb -0.33 -3.20 0.37 0.00 0.00 0.00 0.00 36.38 33.21 3gyr s VAL 465 CO 0.40 -0.27 0.93 -0.62 0.00 0.00 0.00 175.10 175.53 3gyr n GLU 466 N -0.80 1.03 0.00 2.72 1.02 -1.26 -4.71 120.64 118.65 3gyr n GLU 466 Ca -0.08 -2.84 0.00 0.00 -0.02 0.00 0.00 57.16 54.22 3gyr n GLU 466 Cb 0.57 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 3gyr n GLU 466 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3gyr n GLN 472 N 0.16 0.00 -4.48 3.49 1.13 -1.26 -5.20 117.38 111.22 3gyr n GLN 472 Ca 0.15 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.90 3gyr n GLN 472 Cb 0.72 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.95 3gyr n GLN 472 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3gyr s VAL 473 N 0.00 3.26 0.46 5.09 0.11 -1.26 -4.05 120.40 124.00 3gyr s VAL 473 Ca 0.00 -1.04 -0.07 0.00 -2.93 0.00 0.00 61.98 57.93 3gyr s VAL 473 Cb 0.00 -2.43 -0.05 0.00 -1.53 0.00 0.00 36.38 32.38 3gyr s VAL 473 CO 0.00 0.31 0.79 -2.16 -3.33 0.00 0.00 175.10 170.71 3gyr s PRO 474 N -1.60 3.63 -0.28 1.54 0.04 -1.26 -5.17 135.00 131.91 3gyr s PRO 474 Ca 0.17 0.33 -0.22 0.00 0.04 0.00 0.00 61.00 61.31 3gyr s PRO 474 Cb -0.11 -2.37 0.08 0.00 0.04 0.00 0.00 34.50 32.15 3gyr s PRO 474 CO 0.08 -0.16 0.77 0.00 0.04 0.00 0.00 177.00 177.74 3gyr s ALA 475 N -2.62 -1.86 -0.15 8.56 0.00 -1.26 -5.09 121.76 119.33 3gyr s ALA 475 Ca 0.49 2.12 -0.27 0.00 0.00 0.00 0.00 51.96 54.30 3gyr s ALA 475 Cb -0.10 -1.31 -0.13 0.00 0.00 0.00 0.00 23.12 21.58 3gyr s ALA 475 CO 0.40 -0.33 0.83 -1.91 0.00 0.00 0.00 175.76 174.75 3gyr n GLU 476 N 3.09 0.00 -0.58 0.00 2.13 -1.23 -1.01 120.64 123.03 3gyr n GLU 476 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 3gyr n GLU 476 Cb 0.56 -0.94 0.00 0.00 0.27 0.00 0.00 31.44 31.33 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 1.70 1.40 3.50 8.31 0.00 0.36 -4.92 105.19 115.54 3gyr n GLY 477 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.42 4.13 -0.09 1.61 1.01 -0.18 0.14 120.40 123.61 3gyr s VAL 478 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3gyr s VAL 478 Cb 0.00 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.55 3gyr s VAL 478 CO 0.00 0.45 -0.09 -0.63 0.00 0.00 0.00 175.10 174.83 3gyr s ILE 479 N 0.70 1.02 0.04 2.22 1.01 0.18 -1.49 121.20 124.87 3gyr s ILE 479 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 3gyr s ILE 479 Cb -0.14 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 3gyr s ILE 479 CO 0.02 0.36 0.30 -1.10 0.00 0.00 0.00 174.94 174.52 3gyr s GLN 480 N 1.36 3.61 -0.06 2.79 -0.21 -1.26 -0.88 119.66 125.02 3gyr s GLN 480 Ca -0.02 -0.05 0.01 0.00 0.02 0.00 0.00 55.36 55.33 3gyr s GLN 480 Cb -0.14 -3.04 0.02 0.00 1.00 0.00 0.00 33.01 30.85 3gyr s GLN 480 CO -0.04 0.61 -0.07 0.08 -2.12 0.00 0.00 175.29 173.75 3gyr s VAL 481 N -1.36 0.75 -0.26 1.09 1.01 0.93 -0.53 120.40 122.03 3gyr s VAL 481 Ca 0.30 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 3gyr s VAL 481 Cb -0.13 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3gyr s VAL 481 CO 0.18 0.28 0.12 -0.89 0.00 0.00 0.00 175.10 174.79 3gyr s THR 482 N 0.94 4.75 0.32 3.92 2.01 -0.07 0.37 115.64 127.88 3gyr s THR 482 Ca -0.10 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 61.92 3gyr s THR 482 Cb -0.15 -3.24 0.04 0.00 0.01 0.00 0.00 72.50 69.16 3gyr s THR 482 CO 0.00 0.30 0.35 0.61 -0.69 0.00 0.00 174.62 175.19 3gyr n GLY 483 N 4.98 2.42 0.18 4.40 0.00 -0.89 -1.14 105.19 115.14 3gyr n GLY 483 Ca -0.15 -2.22 0.15 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.48 0.50 -0.43 4.61 0.00 -1.26 0.75 120.51 122.20 3gyr n ALA 484 Ca -0.09 0.56 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 3gyr n ALA 484 Cb 0.35 -0.53 0.15 0.00 0.00 0.00 0.00 19.45 19.43 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 -4.31 3.65 0.00 0.00 5.75 -1.26 -4.88 116.55 115.49 3gyr n ASP 485 Ca 0.19 -2.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.00 3gyr n ASP 485 Cb 0.64 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 3gyr n ASP 485 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gyr n GLY 486 N -0.37 0.00 3.86 6.12 0.00 0.23 -4.90 105.19 110.13 3gyr n GLY 486 Ca 0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.01 3.88 -0.14 1.61 3.52 -1.26 -4.83 118.95 120.72 3gyr s ARG 487 Ca 0.00 0.36 -0.03 0.00 -0.13 0.00 0.00 55.73 55.93 3gyr s ARG 487 Cb 0.00 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.56 3gyr s ARG 487 CO 0.00 0.41 -0.04 0.99 -0.81 0.00 0.00 175.30 175.85 3gyr s THR 488 N -1.63 3.87 0.25 4.11 2.01 -1.26 -2.09 115.64 120.90 3gyr s THR 488 Ca 0.42 -0.37 0.09 0.00 0.31 0.00 0.00 61.69 62.14 3gyr s THR 488 Cb -0.13 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 3gyr s THR 488 CO 0.20 0.51 0.00 -0.54 -0.69 0.00 0.00 174.62 174.10 3gyr s LYS 489 N 0.21 2.33 -0.10 4.92 1.02 0.16 -4.93 119.74 123.36 3gyr s LYS 489 Ca -0.02 -1.35 0.03 0.00 0.02 0.00 0.00 55.97 54.64 3gyr s LYS 489 Cb -0.14 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 3gyr s LYS 489 CO 0.03 0.38 -0.21 0.99 -0.92 0.00 0.00 175.35 175.62 3gyr s THR 490 N -2.22 1.87 0.07 2.17 2.01 -1.26 -0.05 115.64 118.24 3gyr s THR 490 Ca 0.31 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.46 3gyr s THR 490 Cb -0.07 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 3gyr s THR 490 CO 0.20 0.52 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.19 3gyr s TYR 491 N 0.46 1.28 -0.02 4.92 1.51 -0.05 -0.39 117.35 125.07 3gyr s TYR 491 Ca -0.17 -0.45 0.07 0.00 -1.01 0.00 0.00 57.07 55.52 3gyr s TYR 491 Cb -0.17 -0.72 -0.02 0.00 -0.11 0.00 0.00 41.96 40.94 3gyr s TYR 491 CO 0.07 0.07 -0.24 0.50 -1.11 0.00 0.00 175.55 174.84 3gyr s ARG 492 N -1.71 1.95 0.10 -0.62 3.52 0.49 0.50 118.95 123.19 3gyr s ARG 492 Ca -0.01 -0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 54.43 3gyr s ARG 492 Cb -0.10 -1.88 -0.06 0.00 -1.56 0.00 0.00 34.95 31.34 3gyr s ARG 492 CO 0.02 0.52 1.21 0.50 -0.81 0.00 0.00 175.30 176.74 3gyr s ARG 493 N -0.56 4.45 -0.01 5.12 3.52 0.12 -0.52 118.95 131.07 3gyr s ARG 493 Ca 0.09 1.81 0.09 0.00 -0.13 0.00 0.00 55.73 57.59 3gyr s ARG 493 Cb -0.09 -3.31 -0.11 0.00 -1.56 0.00 0.00 34.95 29.87 3gyr s ARG 493 CO -0.01 -0.21 0.29 0.25 -0.81 0.00 0.00 175.30 174.82 3gyr n THR 494 N 3.50 0.00 -3.55 4.11 -2.24 0.88 -4.90 114.28 112.08 3gyr n THR 494 Ca 0.08 -0.26 -0.17 0.00 -2.27 0.00 0.00 64.05 61.43 3gyr n THR 494 Cb 0.46 0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 69.32 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 -2.16 -1.65 0.00 6.98 0.00 -1.21 -4.88 121.76 118.84 3gyr s ALA 495 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3gyr s ALA 495 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.18 3gyr s ALA 495 CO 0.36 -0.36 0.07 2.89 0.00 0.00 0.00 175.76 178.73 3gyr n ARG 496 N 0.97 0.27 -3.67 0.00 1.85 -1.26 -1.50 116.66 113.32 3gyr n ARG 496 Ca -0.19 -0.07 -0.09 0.00 -1.00 0.00 0.00 57.85 56.49 3gyr n ARG 496 Cb 0.57 -0.45 -0.02 0.00 -1.05 0.00 0.00 32.46 31.50 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 -0.06 0.00 0.19 8.89 -1.32 -1.26 -4.28 115.64 117.80 3gyr s THR 497 Ca 0.00 -0.56 -0.12 0.00 -1.21 0.00 0.00 61.69 59.80 3gyr s THR 497 Cb 0.00 -1.56 0.10 0.00 -1.51 0.00 0.00 72.50 69.53 3gyr s THR 497 CO 0.00 0.00 1.81 0.15 -2.21 0.00 0.00 174.62 174.37 3gyr h PHE 498 N 2.00 0.58 -0.30 9.09 3.04 -1.46 -1.32 116.94 128.58 3gyr h PHE 498 Ca -0.26 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.71 3gyr h PHE 498 Cb 1.28 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.61 3gyr h PHE 498 CO 0.34 0.30 0.00 0.09 -2.02 0.00 0.00 178.31 177.03 3gyr n ASN 499 N -4.81 1.91 -4.77 0.41 3.02 -1.26 -4.55 115.26 105.20 3gyr n ASN 499 Ca 0.05 -2.08 -0.31 0.00 -0.03 0.00 0.00 54.58 52.22 3gyr n ASN 499 Cb 0.12 -0.28 0.09 0.00 -0.61 0.00 0.00 39.78 39.10 3gyr n ASN 499 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3gyr s ASP 500 N -0.87 4.53 0.53 6.41 1.01 -0.50 -4.96 116.67 122.82 3gyr s ASP 500 Ca 0.21 1.81 -0.19 0.00 0.71 0.00 0.00 52.55 55.09 3gyr s ASP 500 Cb 0.12 -2.52 -0.10 0.00 1.01 0.00 0.00 42.92 41.43 3gyr s ASP 500 CO 0.13 -2.02 0.56 0.61 0.21 0.00 0.00 175.17 174.66 3gyr n GLY 501 N -1.24 -1.42 3.72 0.21 0.00 -1.26 -4.84 105.19 100.36 3gyr n GLY 501 Ca 0.09 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 0.67 3.95 -0.13 0.99 7.94 -1.26 -4.93 117.00 124.23 3gyr n LEU 502 Ca 0.11 1.07 -0.24 0.00 -1.11 0.00 0.00 56.01 55.85 3gyr n LEU 502 Cb 0.45 -1.56 -0.11 0.00 0.53 0.00 0.00 43.42 42.73 3gyr n LEU 502 CO 0.52 0.13 -1.34 0.61 -1.11 0.00 0.00 177.39 176.21 3gyr n GLY 503 N 3.69 -0.44 3.41 -3.96 0.00 -1.26 -4.99 105.19 101.65 3gyr n GLY 503 Ca 0.15 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.51 3.16 -0.14 1.61 0.08 -1.26 -5.06 117.98 113.86 3gyr s PHE 504 Ca -0.36 -0.68 0.02 0.00 0.12 0.00 0.00 56.93 56.03 3gyr s PHE 504 Cb 0.12 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 40.27 3gyr s PHE 504 CO 0.56 -0.48 -0.19 0.99 -0.10 0.00 0.00 175.22 175.99 3gyr s THR 505 N 1.58 1.89 -0.06 0.64 2.01 -1.26 -0.92 115.64 119.51 3gyr s THR 505 Ca 0.04 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.20 3gyr s THR 505 Cb -0.17 -1.70 0.02 0.00 0.01 0.00 0.00 72.50 70.66 3gyr s THR 505 CO 0.05 0.51 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.76 3gyr s ILE 506 N 1.04 1.00 0.18 1.82 1.01 0.19 -4.97 121.20 121.48 3gyr s ILE 506 Ca -0.03 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 3gyr s ILE 506 Cb -0.14 -0.94 -0.08 0.00 0.01 0.00 0.00 42.46 41.31 3gyr s ILE 506 CO -0.05 0.33 1.19 -0.83 0.00 0.00 0.00 174.94 175.58 3gyr s GLY 507 N 0.77 2.67 0.40 6.18 0.00 -1.26 -2.05 107.32 114.04 3gyr s GLY 507 Ca -0.13 0.95 -0.26 0.00 0.00 0.00 0.00 44.72 45.27 3gyr s GLY 507 CO 0.02 1.85 1.34 1.85 0.00 0.00 0.00 173.10 178.16 3gyr s GLU 508 N -0.22 3.96 0.00 2.90 -6.30 0.51 -2.23 118.70 117.33 3gyr s GLU 508 Ca 0.53 2.24 0.00 0.00 -2.50 0.00 0.00 54.97 55.23 3gyr s GLU 508 Cb -0.32 -2.78 0.00 0.00 0.00 0.00 0.00 34.13 31.02 3gyr s GLU 508 CO 0.36 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.53 3gyr n GLY 509 N 0.65 2.11 3.88 -1.50 0.00 0.41 -4.58 105.19 106.16 3gyr n GLY 509 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.50 4.05 -0.04 2.61 -4.23 -0.95 -4.80 115.64 109.79 3gyr s THR 510 Ca 0.00 0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 61.06 3gyr s THR 510 Cb 0.00 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 3gyr s THR 510 CO 0.00 -0.82 0.05 -1.00 -0.54 0.00 0.00 174.62 172.30 3gyr s HIS 511 N -3.22 3.25 0.04 3.99 3.76 -1.26 -1.66 115.29 120.18 3gyr s HIS 511 Ca 0.56 0.22 0.03 0.00 -0.15 0.00 0.00 55.06 55.72 3gyr s HIS 511 Cb -0.11 -1.77 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 3gyr s HIS 511 CO 0.52 0.53 -0.11 -1.21 -0.85 0.00 0.00 174.74 173.62 3gyr s GLU 512 N -1.35 0.70 -0.17 1.40 2.02 -0.76 -1.90 118.70 118.64 3gyr s GLU 512 Ca 0.18 -0.69 -0.13 0.00 0.02 0.00 0.00 54.97 54.35 3gyr s GLU 512 Cb -0.12 -0.62 -0.05 0.00 0.10 0.00 0.00 34.13 33.44 3gyr s GLU 512 CO 0.08 0.15 0.27 -1.14 0.02 0.00 0.00 175.26 174.64 3gyr s GLN 513 N -1.20 4.25 -0.09 1.61 0.74 0.62 -1.77 119.66 123.83 3gyr s GLN 513 Ca -0.03 0.06 -0.00 0.00 0.05 0.00 0.00 55.36 55.44 3gyr s GLN 513 Cb -0.08 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 3gyr s GLN 513 CO 0.01 0.24 -0.05 -1.58 -0.55 0.00 0.00 175.29 173.36 3gyr s TRP 514 N 0.47 2.98 -0.19 1.67 0.52 0.41 -0.80 118.94 124.00 3gyr s TRP 514 Ca 0.15 -0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.24 3gyr s TRP 514 Cb -0.13 -1.76 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 3gyr s TRP 514 CO 0.03 0.29 -0.08 0.99 0.02 0.00 0.00 176.95 178.20 3gyr s THR 515 N -0.62 3.20 -0.33 2.01 2.01 -0.17 -1.07 115.64 120.67 3gyr s THR 515 Ca 0.09 -0.57 -0.13 0.00 0.31 0.00 0.00 61.69 61.39 3gyr s THR 515 Cb -0.12 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 3gyr s THR 515 CO 0.02 0.46 0.28 -0.36 -0.69 0.00 0.00 174.62 174.33 3gyr s PHE 516 N 1.13 3.22 -0.43 4.92 0.40 0.12 -0.40 117.98 126.94 3gyr s PHE 516 Ca 0.01 -0.07 -0.05 0.00 -0.60 0.00 0.00 56.93 56.22 3gyr s PHE 516 Cb -0.14 -2.52 0.11 0.00 0.51 0.00 0.00 43.02 40.97 3gyr s PHE 516 CO -0.02 -0.34 0.25 -1.17 0.70 0.00 0.00 175.22 174.63 3gyr s LEU 517 N 1.83 5.37 -0.36 -0.37 2.96 0.16 0.60 118.68 128.87 3gyr s LEU 517 Ca 0.08 -1.97 -0.20 0.00 -0.22 0.00 0.00 54.13 51.82 3gyr s LEU 517 Cb -0.17 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.64 3gyr s LEU 517 CO 0.11 -0.59 0.63 0.21 -1.32 0.00 0.00 176.35 175.40 3gyr s ASN 518 N 2.09 6.41 0.00 3.68 3.84 0.11 -0.38 114.94 130.70 3gyr s ASN 518 Ca 0.07 0.10 0.24 0.00 0.21 0.00 0.00 52.86 53.48 3gyr s ASN 518 Cb -0.24 -2.32 0.55 0.00 -0.55 0.00 0.00 41.25 38.69 3gyr s ASN 518 CO -0.03 -0.61 1.46 0.18 -2.79 0.00 0.00 177.10 175.31 3gyr n LEU 519 N 6.06 2.49 -4.88 3.21 4.77 -0.32 -0.94 117.00 127.39 3gyr n LEU 519 Ca -0.01 -0.92 -0.22 0.00 -0.03 0.00 0.00 56.01 54.82 3gyr n LEU 519 Cb 0.48 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 3gyr n LEU 519 CO 0.49 0.46 0.02 -0.94 -1.33 0.00 0.00 177.39 176.09 3gyr s SER 520 N -1.83 4.90 0.00 -1.43 1.04 -1.25 -4.68 113.70 110.44 3gyr s SER 520 Ca 0.33 -0.90 0.25 0.00 0.48 0.00 0.00 55.95 56.11 3gyr s SER 520 Cb 0.20 -0.28 1.22 0.00 0.10 0.00 0.00 66.02 67.27 3gyr s SER 520 CO 0.31 -0.79 1.82 -0.81 0.98 0.00 0.00 173.24 174.74 3gyr n PRO 521 N -1.62 1.31 -2.78 4.02 -0.04 -1.26 -0.65 135.00 133.98 3gyr n PRO 521 Ca 0.03 -0.46 -0.42 0.00 -0.04 0.00 0.00 63.50 62.61 3gyr n PRO 521 Cb 0.63 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.64 3gyr n PRO 521 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3gyr s ILE 522 N -1.95 4.86 -0.24 0.52 1.01 -1.26 -4.01 121.20 120.13 3gyr s ILE 522 Ca 0.36 1.89 -0.26 0.00 0.00 0.00 0.00 60.65 62.65 3gyr s ILE 522 Cb 0.18 -4.25 -0.00 0.00 0.01 0.00 0.00 42.46 38.40 3gyr s ILE 522 CO 0.29 0.08 0.88 -0.22 0.00 0.00 0.00 174.94 175.98 3gyr s LEU 523 N 1.61 4.09 -0.18 2.97 0.20 -1.26 -4.20 118.68 121.91 3gyr s LEU 523 Ca 0.46 1.13 -0.02 0.00 0.69 0.00 0.00 54.13 56.38 3gyr s LEU 523 Cb -0.19 -3.28 -0.01 0.00 -0.43 0.00 0.00 46.19 42.28 3gyr s LEU 523 CO 0.20 -0.55 -0.09 -1.00 -0.29 0.00 0.00 176.35 174.62 3gyr s HIS 524 N 2.92 2.90 -0.59 5.38 3.76 -0.88 -4.92 115.29 123.86 3gyr s HIS 524 Ca 0.37 -0.80 -0.28 0.00 -0.15 0.00 0.00 55.06 54.20 3gyr s HIS 524 Cb -0.15 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.58 3gyr s HIS 524 CO 0.07 -0.38 1.27 -1.25 -0.85 0.00 0.00 174.74 173.60 3gyr s PRO 525 N 0.92 3.43 0.13 8.40 0.04 -1.26 -1.36 135.00 145.30 3gyr s PRO 525 Ca -0.02 0.28 -0.21 0.00 0.04 0.00 0.00 61.00 61.09 3gyr s PRO 525 Cb -0.15 -4.06 -0.07 0.00 0.04 0.00 0.00 34.50 30.26 3gyr s PRO 525 CO 0.00 -1.80 0.67 -1.64 0.04 0.00 0.00 177.00 174.28 3gyr s MET 526 N 5.19 4.34 -0.03 4.56 -1.94 -0.44 0.10 119.30 131.08 3gyr s MET 526 Ca 0.45 0.91 0.01 0.00 -1.71 0.00 0.00 55.69 55.35 3gyr s MET 526 Cb -0.08 -3.18 0.02 0.00 2.01 0.00 0.00 34.83 33.59 3gyr s MET 526 CO 0.24 0.57 -0.03 -1.58 -0.01 0.00 0.00 175.02 174.22 3gyr s HIS 527 N -1.20 0.47 -0.23 -0.03 5.04 -0.25 -0.46 115.29 118.62 3gyr s HIS 527 Ca 0.34 -0.08 -0.03 0.00 -1.54 0.00 0.00 55.06 53.75 3gyr s HIS 527 Cb -0.20 -0.44 0.01 0.00 0.04 0.00 0.00 32.58 31.99 3gyr s HIS 527 CO 0.22 -0.11 -0.06 0.42 -2.34 0.00 0.00 174.74 172.87 3gyr s ILE 528 N 0.64 3.07 1.10 0.89 1.01 -1.09 -1.30 121.20 125.52 3gyr s ILE 528 Ca -0.07 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.68 3gyr s ILE 528 Cb -0.10 -2.47 0.23 0.00 0.01 0.00 0.00 42.46 40.13 3gyr s ILE 528 CO -0.01 0.32 0.95 1.41 0.00 0.00 0.00 174.94 177.61 3gyr n HIS 529 N 4.73 -0.75 0.00 3.97 8.25 -0.58 -4.20 115.22 126.64 3gyr n HIS 529 Ca -0.18 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3gyr n HIS 529 Cb 0.49 -1.77 0.00 0.00 1.12 0.00 0.00 29.99 29.83 3gyr n HIS 529 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3gyr n LEU 530 N -4.41 0.00 -4.94 2.41 7.94 -1.26 -4.91 117.00 111.83 3gyr n LEU 530 Ca 0.05 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 54.75 3gyr n LEU 530 Cb 0.54 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.47 3gyr n LEU 530 CO 0.54 0.00 -0.03 0.00 -1.11 0.00 0.00 177.39 176.79 3gyr s ALA 531 N 0.00 3.97 -0.14 1.96 0.00 -1.26 -4.32 121.76 121.97 3gyr s ALA 531 Ca 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 51.96 50.50 3gyr s ALA 531 Cb 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 3gyr s ALA 531 CO 0.00 0.12 0.12 -0.51 0.00 0.00 0.00 175.76 175.50 3gyr s ASP 532 N -4.02 6.21 0.28 0.00 1.01 -1.26 -4.80 116.67 114.08 3gyr s ASP 532 Ca 0.38 0.37 0.07 0.00 0.71 0.00 0.00 52.55 54.09 3gyr s ASP 532 Cb -0.09 -2.02 -0.06 0.00 1.01 0.00 0.00 42.92 41.77 3gyr s ASP 532 CO 0.29 0.35 -0.08 -0.36 0.21 0.00 0.00 175.17 175.57 3gyr s PHE 533 N -0.66 1.99 0.08 4.23 0.40 -0.70 -3.70 117.98 119.62 3gyr s PHE 533 Ca 0.13 -0.63 0.09 0.00 -0.60 0.00 0.00 56.93 55.91 3gyr s PHE 533 Cb -0.12 -1.09 -0.03 0.00 0.51 0.00 0.00 43.02 42.29 3gyr s PHE 533 CO 0.02 0.35 -0.24 -0.65 0.70 0.00 0.00 175.22 175.41 3gyr s GLN 534 N -3.69 1.42 -0.20 0.44 -0.21 -0.29 -1.42 119.66 115.71 3gyr s GLN 534 Ca 0.29 -1.15 -0.29 0.00 0.02 0.00 0.00 55.36 54.23 3gyr s GLN 534 Cb 0.02 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.34 3gyr s GLN 534 CO 0.12 0.42 1.01 0.08 -2.12 0.00 0.00 175.29 174.80 3gyr s VAL 535 N -0.96 4.72 -0.13 1.09 1.01 -1.26 -1.29 120.40 123.58 3gyr s VAL 535 Ca 0.10 1.98 -0.07 0.00 0.00 0.00 0.00 61.98 64.00 3gyr s VAL 535 Cb -0.10 -4.29 -0.25 0.00 0.00 0.00 0.00 36.38 31.74 3gyr s VAL 535 CO 0.04 -0.13 0.32 0.18 0.00 0.00 0.00 175.10 175.51 3gyr n LEU 536 N 5.98 2.63 -3.62 3.92 4.77 -0.10 -4.96 117.00 125.63 3gyr n LEU 536 Ca 0.11 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3gyr n LEU 536 Cb 0.47 -1.10 -0.01 0.00 -2.33 0.00 0.00 43.42 40.45 3gyr n LEU 536 CO 0.52 0.84 1.03 -0.83 -1.33 0.00 0.00 177.39 177.62 3gyr s GLY 537 N -5.61 -0.39 0.02 -0.72 0.00 -1.18 -5.01 107.32 94.42 3gyr s GLY 537 Ca -0.23 0.81 0.02 0.00 0.00 0.00 0.00 44.72 45.32 3gyr s GLY 537 CO 0.75 0.18 -0.07 0.50 0.00 0.00 0.00 173.10 174.47 3gyr s ARG 538 N -2.47 0.49 -0.01 2.90 0.52 -1.26 -1.53 118.95 117.59 3gyr s ARG 538 Ca 0.13 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 3gyr s ARG 538 Cb 0.04 -0.39 0.01 0.00 0.52 0.00 0.00 34.95 35.12 3gyr s ARG 538 CO -0.04 0.10 -0.00 -0.51 0.02 0.00 0.00 175.30 174.87 3gyr s ASP 539 N -0.73 0.15 0.30 0.23 1.11 -0.80 -4.35 116.67 112.57 3gyr s ASP 539 Ca -0.03 -0.01 -0.28 0.00 0.18 0.00 0.00 52.55 52.42 3gyr s ASP 539 Cb -0.05 -0.05 -0.09 0.00 1.07 0.00 0.00 42.92 43.79 3gyr s ASP 539 CO 0.00 -0.03 0.99 0.00 1.18 0.00 0.00 175.17 177.31 3gyr s ALA 540 N 0.35 3.28 0.13 5.23 0.00 -1.25 -0.73 121.76 128.77 3gyr s ALA 540 Ca -0.03 0.66 0.09 0.00 0.00 0.00 0.00 51.96 52.68 3gyr s ALA 540 Cb -0.05 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3gyr s ALA 540 CO -0.01 0.07 -0.23 0.71 0.00 0.00 0.00 175.76 176.30 3gyr s TYR 541 N -1.38 2.01 -0.47 0.00 2.02 -1.21 -1.63 117.35 116.68 3gyr s TYR 541 Ca 0.47 -0.41 -0.16 0.00 -0.37 0.00 0.00 57.07 56.60 3gyr s TYR 541 Cb -0.24 -1.07 0.06 0.00 -0.40 0.00 0.00 41.96 40.31 3gyr s TYR 541 CO 0.31 0.30 0.44 0.34 -1.57 0.00 0.00 175.55 175.37 3gyr s ASP 542 N -2.17 6.17 -0.20 2.29 -1.08 0.95 -4.64 116.67 117.98 3gyr s ASP 542 Ca 0.12 -1.13 0.16 0.00 -0.52 0.00 0.00 52.55 51.17 3gyr s ASP 542 Cb -0.09 -2.21 0.65 0.00 -1.46 0.00 0.00 42.92 39.81 3gyr s ASP 542 CO 0.06 -0.68 1.55 0.00 0.52 0.00 0.00 175.17 176.62 3gyr n ALA 543 N 5.46 3.35 0.30 3.66 0.00 -1.26 -1.16 120.51 130.86 3gyr n ALA 543 Ca -0.10 -2.15 0.15 0.00 0.00 0.00 0.00 53.44 51.33 3gyr n ALA 543 Cb 0.45 -0.88 0.90 0.00 0.00 0.00 0.00 19.45 19.92 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 2.69 0.00 0.73 0.00 4.64 -1.92 -2.30 113.55 117.38 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 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 3gyr h SER 544 CO 0.33 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 3gyr n GLY 545 N -1.34 -1.23 3.69 -0.77 0.00 -1.26 -4.70 105.19 99.59 3gyr n GLY 545 Ca -0.03 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3gyr n GLY 545 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gyr s PHE 546 N -3.01 3.38 -0.38 1.61 2.19 -0.87 -0.71 117.98 120.20 3gyr s PHE 546 Ca 0.10 1.40 -0.10 0.00 0.33 0.00 0.00 56.93 58.66 3gyr s PHE 546 Cb 0.14 -3.32 0.05 0.00 -1.31 0.00 0.00 43.02 38.58 3gyr s PHE 546 CO 0.38 -0.83 0.20 0.34 1.83 0.00 0.00 175.22 177.15 3gyr s ASP 547 N 1.25 5.63 0.22 6.13 -1.08 0.10 -4.92 116.67 123.99 3gyr s ASP 547 Ca 0.54 -1.18 -0.08 0.00 -0.52 0.00 0.00 52.55 51.30 3gyr s ASP 547 Cb -0.23 -1.98 0.24 0.00 -1.46 0.00 0.00 42.92 39.49 3gyr s ASP 547 CO 0.23 -0.42 1.84 -0.07 0.52 0.00 0.00 175.17 177.27 3gyr h LEU 548 N 8.39 0.73 -0.59 -1.34 4.07 -1.92 0.60 115.31 125.25 3gyr h LEU 548 Ca -0.24 0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.61 3gyr h LEU 548 Cb 1.09 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.67 3gyr h LEU 548 CO 0.68 0.49 -0.54 0.00 -1.08 0.00 0.00 178.44 177.99 3gyr h ALA 549 N 1.34 0.84 0.10 1.53 0.00 -1.94 0.16 119.26 121.28 3gyr h ALA 549 Ca 0.31 -0.49 -0.28 0.00 0.00 0.00 0.00 54.91 54.45 3gyr h ALA 549 Cb 0.09 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.82 3gyr h ALA 549 CO -0.14 0.67 -1.17 1.25 0.00 0.00 0.00 179.25 179.86 3gyr h LEU 550 N 0.00 0.86 -0.79 0.00 5.85 -1.88 -3.43 115.31 115.92 3gyr h LEU 550 Ca -0.01 -0.81 -0.04 0.00 0.84 0.00 0.00 57.88 57.86 3gyr h LEU 550 Cb 1.16 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.93 3gyr h LEU 550 CO 0.07 1.58 -0.07 0.61 -0.34 0.00 0.00 178.44 180.29 3gyr n GLY 551 N 1.34 0.73 3.68 3.75 0.00 0.21 -3.56 105.19 111.32 3gyr n GLY 551 Ca -0.13 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.01 -0.32 0.06 -0.02 0.00 -1.14 0.13 107.32 103.03 3gyr s GLY 552 Ca 0.05 0.48 -0.22 0.00 0.00 0.00 0.00 44.72 45.03 3gyr s GLY 552 CO 0.06 0.11 0.67 -0.51 0.00 0.00 0.00 173.10 173.43 3gyr s THR 553 N -2.98 4.72 -0.14 0.90 -4.23 -0.56 0.00 115.64 113.36 3gyr s THR 553 Ca 0.12 1.43 -0.27 0.00 -1.18 0.00 0.00 61.69 61.78 3gyr s THR 553 Cb 0.00 -4.01 -0.26 0.00 1.34 0.00 0.00 72.50 69.58 3gyr s THR 553 CO -0.01 0.46 0.71 0.03 -0.54 0.00 0.00 174.62 175.26 3gyr h ARG 554 N 5.15 0.04 -6.31 3.99 3.08 -1.27 -3.41 114.38 115.65 3gyr h ARG 554 Ca -0.46 -0.07 -0.61 0.00 0.07 0.00 0.00 59.98 58.91 3gyr h ARG 554 Cb 1.21 0.03 -0.17 0.00 0.08 0.00 0.00 29.97 31.11 3gyr h ARG 554 CO 0.68 1.03 -0.79 0.95 -1.07 0.00 0.00 179.97 180.77 3gyr s THR 555 N -2.27 2.27 0.42 2.04 -4.23 -1.21 -4.82 115.64 107.84 3gyr s THR 555 Ca -0.20 -2.14 -0.26 0.00 -1.18 0.00 0.00 61.69 57.91 3gyr s THR 555 Cb -0.01 -2.13 -0.10 0.00 1.34 0.00 0.00 72.50 71.60 3gyr s THR 555 CO 0.70 -0.27 1.36 -2.65 -0.54 0.00 0.00 174.62 173.22 3gyr n PRO 556 N -0.05 2.15 -1.71 3.99 -0.02 -1.26 -4.32 135.00 133.78 3gyr n PRO 556 Ca -0.10 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 3gyr n PRO 556 Cb 0.58 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 3gyr n PRO 556 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gyr n VAL 557 N -0.11 1.03 -4.64 -1.45 0.31 0.31 -4.63 118.33 109.15 3gyr n VAL 557 Ca 0.05 -0.26 -0.30 0.00 -0.01 0.00 0.00 64.34 63.82 3gyr n VAL 557 Cb 0.40 -1.71 -0.17 0.00 -0.91 0.00 0.00 33.84 31.46 3gyr n VAL 557 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3gyr s ARG 558 N -0.52 2.59 0.34 5.55 3.52 -0.31 -0.90 118.95 129.24 3gyr s ARG 558 Ca 0.66 -0.70 -0.29 0.00 -0.13 0.00 0.00 55.73 55.27 3gyr s ARG 558 Cb -0.57 -2.11 -0.12 0.00 -1.56 0.00 0.00 34.95 30.58 3gyr s ARG 558 CO 0.50 -0.01 1.44 -0.11 -0.81 0.00 0.00 175.30 176.31 3gyr n LEU 559 N 4.04 4.24 -3.98 -0.88 0.00 -0.30 -0.04 117.00 120.09 3gyr n LEU 559 Ca -0.20 1.20 -0.31 0.00 0.00 0.00 0.00 56.01 56.71 3gyr n LEU 559 Cb 0.52 -1.56 -0.11 0.00 0.00 0.00 0.00 43.42 42.26 3gyr n LEU 559 CO 0.26 -0.08 -0.01 -0.62 0.00 0.00 0.00 177.39 176.94 3gyr s ASP 560 N -0.05 4.91 0.00 1.96 2.15 -0.65 -4.80 116.67 120.19 3gyr s ASP 560 Ca 0.57 -3.44 0.00 0.00 0.43 0.00 0.00 52.55 50.10 3gyr s ASP 560 Cb -0.52 -1.71 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 3gyr s ASP 560 CO 0.60 -0.18 0.62 -0.81 -0.17 0.00 0.00 175.17 175.22 3gyr n PRO 561 N 2.58 0.92 -0.62 4.34 -0.04 -1.26 -1.88 135.00 139.04 3gyr n PRO 561 Ca 0.14 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.59 3gyr n PRO 561 Cb 0.35 -1.32 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 3gyr n PRO 561 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3gyr n ASP 562 N 0.21 -0.09 -4.36 3.54 3.85 -1.26 -4.74 116.55 113.70 3gyr n ASP 562 Ca 0.00 -1.41 -0.46 0.00 -0.71 0.00 0.00 54.79 52.21 3gyr n ASP 562 Cb 0.31 -0.02 -0.03 0.00 -1.35 0.00 0.00 41.12 40.04 3gyr n ASP 562 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3gyr s THR 563 N 0.00 5.32 0.37 2.12 2.01 -0.79 -5.09 115.64 119.59 3gyr s THR 563 Ca 0.02 -2.08 -0.25 0.00 0.31 0.00 0.00 61.69 59.68 3gyr s THR 563 Cb 0.02 -4.53 -0.09 0.00 0.01 0.00 0.00 72.50 67.91 3gyr s THR 563 CO -0.01 -1.13 1.09 -2.16 -0.69 0.00 0.00 174.62 171.72 3gyr s PRO 564 N 1.04 4.23 -0.32 4.92 0.04 -1.26 -3.96 135.00 139.69 3gyr s PRO 564 Ca 0.20 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.91 3gyr s PRO 564 Cb -0.12 -2.70 0.09 0.00 0.04 0.00 0.00 34.50 31.81 3gyr s PRO 564 CO -0.07 -0.11 0.03 0.08 0.04 0.00 0.00 177.00 176.97 3gyr s VAL 565 N -1.50 1.91 0.32 -0.36 1.01 -1.26 -4.96 120.40 115.57 3gyr s VAL 565 Ca 0.55 -1.98 -0.26 0.00 0.00 0.00 0.00 61.98 60.29 3gyr s VAL 565 Cb -0.26 -2.35 -0.10 0.00 0.00 0.00 0.00 36.38 33.67 3gyr s VAL 565 CO 0.33 -0.51 0.98 -2.16 0.00 0.00 0.00 175.10 173.74 3gyr s PRO 566 N 1.11 4.54 0.52 2.72 0.04 -1.26 -4.34 135.00 138.33 3gyr s PRO 566 Ca 0.07 1.43 -0.21 0.00 0.04 0.00 0.00 61.00 62.33 3gyr s PRO 566 Cb -0.19 -2.84 -0.08 0.00 0.04 0.00 0.00 34.50 31.43 3gyr s PRO 566 CO -0.11 0.22 0.92 1.28 0.04 0.00 0.00 177.00 179.35 3gyr n LEU 567 N 0.60 2.84 -4.77 -3.56 4.77 -1.26 -4.97 117.00 110.66 3gyr n LEU 567 Ca 0.02 0.89 -0.39 0.00 -0.03 0.00 0.00 56.01 56.49 3gyr n LEU 567 Cb 0.49 -1.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.21 3gyr n LEU 567 CO 0.46 -1.87 0.86 0.00 -1.33 0.00 0.00 177.39 175.51 3gyr s ALA 568 N -1.45 3.29 0.66 -1.18 0.00 -1.26 -4.90 121.76 116.92 3gyr s ALA 568 Ca 0.70 1.02 0.43 0.00 0.00 0.00 0.00 51.96 54.10 3gyr s ALA 568 Cb -0.48 -3.39 2.36 0.00 0.00 0.00 0.00 23.12 21.61 3gyr s ALA 568 CO 0.52 -0.47 2.35 -1.00 0.00 0.00 0.00 175.76 177.16 3gyr h PRO 569 N 3.06 0.00 -0.63 0.00 0.13 -1.93 -2.43 132.00 130.20 3gyr h PRO 569 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3gyr h PRO 569 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3gyr h PRO 569 CO 0.64 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.68 3gyr n ASN 570 N -3.14 3.75 -1.04 1.44 6.94 -1.26 -4.35 115.26 117.60 3gyr n ASN 570 Ca -0.03 -1.99 -0.00 0.00 -0.02 0.00 0.00 54.58 52.53 3gyr n ASN 570 Cb 0.09 -0.42 0.21 0.00 -2.36 0.00 0.00 39.78 37.30 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 1.49 2.08 -0.28 -3.83 0.28 -0.91 -4.54 120.64 114.93 3gyr n GLU 571 Ca 0.22 -3.07 0.11 0.00 -0.16 0.00 0.00 57.16 54.26 3gyr n GLU 571 Cb 0.59 -1.81 0.28 0.00 1.43 0.00 0.00 31.44 31.93 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 -0.99 3.47 0.00 -1.84 4.77 -1.26 -4.28 117.00 116.87 3gyr n LEU 572 Ca 0.29 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 3gyr n LEU 572 Cb 0.98 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3gyr n LEU 572 CO 0.17 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 3gyr n GLY 573 N 1.53 3.38 3.67 -0.72 0.00 -1.26 -4.81 105.19 106.97 3gyr n GLY 573 Ca 0.21 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 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 3.54 3.39 0.07 1.61 3.76 -1.26 -4.54 115.29 121.86 3gyr s HIS 574 Ca 0.00 0.83 0.05 0.00 -0.15 0.00 0.00 55.06 55.79 3gyr s HIS 574 Cb 0.00 -2.70 -0.03 0.00 1.11 0.00 0.00 32.58 30.96 3gyr s HIS 574 CO 0.00 -0.10 -0.14 0.15 -0.85 0.00 0.00 174.74 173.80 3gyr s LYS 575 N 1.62 0.84 0.00 1.40 -0.14 -0.51 -1.40 119.74 121.55 3gyr s LYS 575 Ca 0.26 -0.95 0.00 0.00 -1.36 0.00 0.00 55.97 53.92 3gyr s LYS 575 Cb -0.16 -0.86 0.00 0.00 -1.68 0.00 0.00 37.83 35.14 3gyr s LYS 575 CO 0.10 0.19 0.00 -0.40 -0.76 0.00 0.00 175.35 174.48 3gyr n ASP 576 N 1.32 0.06 -4.15 2.83 5.68 -1.26 -1.72 116.55 119.30 3gyr n ASP 576 Ca -0.21 -0.27 -0.29 0.00 -0.50 0.00 0.00 54.79 53.52 3gyr n ASP 576 Cb 0.54 0.55 -0.17 0.00 -1.14 0.00 0.00 41.12 40.91 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 -0.57 1.69 -0.11 2.12 1.01 -1.26 -2.67 120.40 120.61 3gyr s VAL 577 Ca 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 3gyr s VAL 577 Cb 0.00 -1.47 0.03 0.00 0.00 0.00 0.00 36.38 34.94 3gyr s VAL 577 CO 0.00 0.48 -0.02 -0.36 0.00 0.00 0.00 175.10 175.20 3gyr s PHE 578 N 0.34 1.01 0.13 5.22 0.08 0.39 -4.92 117.98 120.23 3gyr s PHE 578 Ca -0.14 -0.49 -0.34 0.00 0.12 0.00 0.00 56.93 56.08 3gyr s PHE 578 Cb -0.16 -0.99 -0.13 0.00 -0.57 0.00 0.00 43.02 41.17 3gyr s PHE 578 CO 0.06 -0.44 1.63 1.04 -0.10 0.00 0.00 175.22 177.40 3gyr n GLN 579 N 5.06 2.19 -3.92 0.44 6.02 -1.26 -1.33 117.38 124.57 3gyr n GLN 579 Ca -0.09 0.79 -0.30 0.00 -0.01 0.00 0.00 57.00 57.39 3gyr n GLN 579 Cb 0.49 -2.57 -0.14 0.00 1.02 0.00 0.00 30.24 29.04 3gyr n GLN 579 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3gyr s VAL 580 N 1.36 2.37 1.09 5.09 1.01 -0.46 -4.93 120.40 125.93 3gyr s VAL 580 Ca 0.80 -3.12 -0.13 0.00 0.00 0.00 0.00 61.98 59.54 3gyr s VAL 580 Cb -0.67 -2.66 0.24 0.00 0.00 0.00 0.00 36.38 33.29 3gyr s VAL 580 CO 0.39 -0.80 1.06 -2.16 0.00 0.00 0.00 175.10 173.60 3gyr s PRO 581 N -0.09 -0.31 0.00 2.72 0.04 -1.26 -2.07 135.00 134.03 3gyr s PRO 581 Ca 0.17 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.79 3gyr s PRO 581 Cb -0.25 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3gyr s PRO 581 CO -0.01 -3.25 0.00 0.41 0.04 0.00 0.00 177.00 174.19 3gyr n GLY 582 N -0.29 -1.69 0.72 0.56 0.00 -1.26 -4.21 105.19 99.02 3gyr n GLY 582 Ca 0.04 -0.57 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 3gyr n GLY 582 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gyr n PRO 583 N -0.14 0.00 -3.64 1.61 -0.02 0.17 -4.78 135.00 128.19 3gyr n PRO 583 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 3gyr n PRO 583 Cb 0.00 -0.24 -0.04 0.00 -0.02 0.00 0.00 33.50 33.20 3gyr n PRO 583 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3gyr s GLN 584 N 1.58 0.05 -0.05 -0.52 0.74 -0.11 -3.34 119.66 118.01 3gyr s GLN 584 Ca 0.27 0.01 0.04 0.00 0.05 0.00 0.00 55.36 55.73 3gyr s GLN 584 Cb -0.20 0.02 -0.03 0.00 1.10 0.00 0.00 33.01 33.91 3gyr s GLN 584 CO 0.11 -0.02 -0.15 0.20 -0.55 0.00 0.00 175.29 174.89 3gyr s GLY 585 N -1.18 1.52 -0.08 2.59 0.00 0.09 0.07 107.32 110.33 3gyr s GLY 585 Ca 0.09 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.86 3gyr s GLY 585 CO -0.07 -0.74 -0.17 -2.27 0.00 0.00 0.00 173.10 169.85 3gyr s LEU 586 N -0.67 1.81 -0.18 0.66 2.96 0.20 -1.90 118.68 121.56 3gyr s LEU 586 Ca 0.10 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3gyr s LEU 586 Cb -0.11 -1.06 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 3gyr s LEU 586 CO 0.01 0.07 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.92 3gyr s ARG 587 N 0.59 3.48 0.10 1.98 0.52 -0.58 0.15 118.95 125.19 3gyr s ARG 587 Ca -0.15 -0.61 0.06 0.00 -0.52 0.00 0.00 55.73 54.51 3gyr s ARG 587 Cb -0.16 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.39 3gyr s ARG 587 CO 0.05 0.05 -0.15 0.14 0.02 0.00 0.00 175.30 175.42 3gyr s VAL 588 N 0.82 1.29 -0.03 3.52 -7.23 -0.24 -0.92 120.40 117.61 3gyr s VAL 588 Ca -0.02 -1.58 0.04 0.00 -1.81 0.00 0.00 61.98 58.61 3gyr s VAL 588 Cb -0.15 -1.39 -0.00 0.00 0.56 0.00 0.00 36.38 35.40 3gyr s VAL 588 CO 0.01 -0.33 -0.14 -0.32 -0.31 0.00 0.00 175.10 174.01 3gyr s MET 589 N -2.33 1.45 0.19 4.82 1.75 -0.41 -0.44 119.30 124.33 3gyr s MET 589 Ca 0.05 -0.50 -0.10 0.00 -1.25 0.00 0.00 55.69 53.89 3gyr s MET 589 Cb -0.07 -1.30 -0.01 0.00 2.84 0.00 0.00 34.83 36.30 3gyr s MET 589 CO 0.03 0.21 0.35 0.20 -0.65 0.00 0.00 175.02 175.16 3gyr s GLY 590 N 0.04 0.54 -0.26 2.11 0.00 -0.73 -1.13 107.32 107.89 3gyr s GLY 590 Ca -0.02 -0.91 -0.09 0.00 0.00 0.00 0.00 44.72 43.70 3gyr s GLY 590 CO 0.01 -0.78 0.12 1.25 0.00 0.00 0.00 173.10 173.70 3gyr s LYS 591 N -3.99 3.78 -0.75 2.90 2.20 -1.24 -1.82 119.74 120.82 3gyr s LYS 591 Ca 0.20 -0.41 -0.21 0.00 -0.36 0.00 0.00 55.97 55.19 3gyr s LYS 591 Cb 0.02 -3.45 0.09 0.00 -1.51 0.00 0.00 37.83 32.98 3gyr s LYS 591 CO 0.04 -0.16 1.00 -0.06 -0.36 0.00 0.00 175.35 175.80 3gyr s PHE 592 N 1.61 2.85 -0.11 4.03 0.08 -0.67 -4.39 117.98 121.39 3gyr s PHE 592 Ca 0.06 -0.87 -0.06 0.00 0.12 0.00 0.00 56.93 56.18 3gyr s PHE 592 Cb -0.15 -4.27 0.04 0.00 -0.57 0.00 0.00 43.02 38.07 3gyr s PHE 592 CO 0.06 -1.57 0.26 0.34 -0.10 0.00 0.00 175.22 174.22 3gyr s ASP 593 N 3.68 -0.29 0.00 1.36 2.15 -1.26 0.15 116.67 122.47 3gyr s ASP 593 Ca 0.25 0.56 0.00 0.00 0.43 0.00 0.00 52.55 53.79 3gyr s ASP 593 Cb -0.13 0.46 0.00 0.00 -0.30 0.00 0.00 42.92 42.95 3gyr s ASP 593 CO 0.03 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.48 3gyr n GLY 594 N 4.03 0.62 3.62 2.66 0.00 -1.26 -4.94 105.19 109.91 3gyr n GLY 594 Ca -0.23 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.13 0.11 4.61 0.00 -1.26 -4.67 121.76 116.42 3gyr s ALA 595 Ca 0.00 0.96 0.01 0.00 0.00 0.00 0.00 51.96 52.93 3gyr s ALA 595 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3gyr s ALA 595 CO 0.00 -0.89 -0.02 0.71 0.00 0.00 0.00 175.76 175.56 3gyr s TYR 596 N -2.51 0.88 -1.02 0.00 2.02 -1.26 -4.80 117.35 110.66 3gyr s TYR 596 Ca 0.12 -1.03 0.00 0.00 -0.37 0.00 0.00 57.07 55.79 3gyr s TYR 596 Cb 0.02 -0.52 0.00 0.00 -0.40 0.00 0.00 41.96 41.06 3gyr s TYR 596 CO -0.04 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.07 3gyr n GLY 597 N -0.06 0.52 3.57 0.71 0.00 0.37 0.10 105.19 110.39 3gyr n GLY 597 Ca -0.10 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.41 3.83 0.41 1.61 3.52 -1.26 -0.78 118.95 125.88 3gyr s ARG 598 Ca 0.00 -0.42 0.04 0.00 -0.13 0.00 0.00 55.73 55.22 3gyr s ARG 598 Cb 0.00 -3.09 -0.02 0.00 -1.56 0.00 0.00 34.95 30.28 3gyr s ARG 598 CO 0.00 0.24 0.15 1.19 -0.81 0.00 0.00 175.30 176.08 3gyr n PHE 599 N 3.59 0.12 -4.21 5.12 3.72 0.54 -4.59 117.46 121.75 3gyr n PHE 599 Ca -0.17 -2.68 -0.29 0.00 -0.05 0.00 0.00 57.45 54.26 3gyr n PHE 599 Cb 0.52 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.97 3gyr n PHE 599 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3gyr s MET 600 N -3.58 2.22 0.17 -1.08 -1.94 -1.26 -0.65 119.30 113.18 3gyr s MET 600 Ca 0.22 -1.02 0.08 0.00 -1.71 0.00 0.00 55.69 53.26 3gyr s MET 600 Cb 0.01 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.47 3gyr s MET 600 CO 0.15 0.50 -0.17 1.52 -0.01 0.00 0.00 175.02 177.01 3gyr s TYR 601 N -1.33 1.77 0.10 -0.03 -0.85 0.69 -1.53 117.35 116.17 3gyr s TYR 601 Ca 0.23 -0.49 -0.26 0.00 -0.52 0.00 0.00 57.07 56.02 3gyr s TYR 601 Cb -0.11 -0.87 0.08 0.00 0.38 0.00 0.00 41.96 41.45 3gyr s TYR 601 CO 0.15 0.33 1.09 -3.38 -1.52 0.00 0.00 175.55 172.22 3gyr s HIS 602 N -2.26 -0.06 0.30 -3.49 -3.43 -0.42 0.07 115.29 106.01 3gyr s HIS 602 Ca 0.17 -0.19 -0.29 0.00 -0.80 0.00 0.00 55.06 53.95 3gyr s HIS 602 Cb -0.05 0.62 -0.10 0.00 -1.43 0.00 0.00 32.58 31.62 3gyr s HIS 602 CO 0.07 -0.65 1.22 0.00 -2.00 0.00 0.00 174.74 173.38 3gyr n HIS 604 N 1.10 1.45 -2.92 0.00 -0.00 0.12 -4.28 115.22 110.68 3gyr n HIS 604 Ca 0.00 -0.51 -0.42 0.00 0.46 0.00 0.00 57.72 57.24 3gyr n HIS 604 Cb 0.43 -0.36 -0.05 0.00 -0.12 0.00 0.00 29.99 29.90 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 -1.91 4.09 0.38 0.27 1.43 -1.26 -4.70 118.68 116.98 3gyr s LEU 605 Ca 0.40 0.47 0.06 0.00 -1.03 0.00 0.00 54.13 54.03 3gyr s LEU 605 Cb 0.29 -3.10 0.77 0.00 0.03 0.00 0.00 46.19 44.19 3gyr s LEU 605 CO 0.13 -0.74 1.99 -0.07 0.23 0.00 0.00 176.35 177.89 3gyr h LEU 606 N 9.77 0.45 -1.35 1.79 3.38 -1.24 0.19 115.31 128.30 3gyr h LEU 606 Ca -0.24 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 3gyr h LEU 606 Cb 1.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3gyr h LEU 606 CO 0.92 0.42 -0.20 -0.33 0.09 0.00 0.00 178.44 179.34 3gyr h GLU 607 N 0.51 0.19 0.10 1.13 3.07 -1.92 0.98 114.58 118.63 3gyr h GLU 607 Ca 0.13 -0.05 -0.27 0.00 -0.50 0.00 0.00 59.36 58.67 3gyr h GLU 607 Cb 0.11 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.01 3gyr h GLU 607 CO -0.01 0.39 -1.17 0.45 -1.40 0.00 0.00 179.01 177.27 3gyr h HIS 608 N 0.17 0.68 -0.46 4.33 3.86 -1.39 -3.10 115.15 119.23 3gyr h HIS 608 Ca 0.03 -0.44 0.02 0.00 -1.16 0.00 0.00 60.37 58.82 3gyr h HIS 608 Cb 0.46 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 3gyr h HIS 608 CO 0.01 1.30 0.29 1.49 0.86 0.00 0.00 177.93 181.87 3gyr h GLU 609 N 0.17 0.56 0.00 2.45 4.81 -0.72 -1.67 114.58 120.18 3gyr h GLU 609 Ca -0.14 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3gyr h GLU 609 Cb 1.85 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.10 3gyr h GLU 609 CO 0.20 0.37 0.00 -0.25 -0.73 0.00 0.00 179.01 178.60 3gyr n ASP 610 N -4.81 0.45 -2.15 1.04 8.00 0.30 -2.83 116.55 116.55 3gyr n ASP 610 Ca 0.02 0.61 -0.28 0.00 0.71 0.00 0.00 54.79 55.85 3gyr n ASP 610 Cb 0.05 -0.70 0.04 0.00 -0.02 0.00 0.00 41.12 40.49 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 -1.99 3.32 -0.22 -1.24 2.81 -0.71 -4.61 117.12 114.49 3gyr n MET 611 Ca 0.03 -3.92 0.00 0.00 -1.81 0.00 0.00 57.70 52.00 3gyr n MET 611 Cb 0.21 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.44 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 -0.76 0.72 2.75 3.03 0.00 -1.13 -4.96 105.19 104.85 3gyr n GLY 612 Ca 0.49 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 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 3.34 -3.56 1.61 0.00 -0.74 -2.75 117.12 113.02 3gyr n MET 613 Ca 0.00 -3.04 -0.14 0.00 -0.00 0.00 0.00 57.70 54.52 3gyr n MET 613 Cb 0.00 -3.06 -0.06 0.00 0.00 0.00 0.00 33.22 30.10 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 1.64 0.82 -0.03 2.12 0.00 -1.26 -2.07 119.30 120.52 3gyr s MET 614 Ca 0.45 0.29 -0.05 0.00 0.00 0.00 0.00 55.69 56.38 3gyr s MET 614 Cb 0.13 0.39 0.01 0.00 0.00 0.00 0.00 34.83 35.35 3gyr s MET 614 CO -0.05 -0.24 0.12 1.03 0.00 0.00 0.00 175.02 175.89 3gyr s ARG 615 N -0.95 0.27 0.50 4.11 1.81 0.11 -3.13 118.95 121.67 3gyr s ARG 615 Ca -0.06 -0.05 -0.20 0.00 -1.72 0.00 0.00 55.73 53.71 3gyr s ARG 615 Cb -0.01 0.12 -0.08 0.00 -0.45 0.00 0.00 34.95 34.53 3gyr s ARG 615 CO 0.05 -0.05 1.04 -1.25 -0.68 0.00 0.00 175.30 174.41 3gyr s PRO 616 N -0.49 3.75 0.13 3.54 0.04 -1.26 -0.22 135.00 140.49 3gyr s PRO 616 Ca -0.06 1.34 -0.00 0.00 0.04 0.00 0.00 61.00 62.33 3gyr s PRO 616 Cb -0.04 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3gyr s PRO 616 CO 0.01 -0.48 0.02 -0.59 0.04 0.00 0.00 177.00 176.00 3gyr s PHE 617 N -2.03 0.92 -0.07 0.56 -0.12 0.17 -4.52 117.98 112.89 3gyr s PHE 617 Ca 0.67 -1.13 0.03 0.00 -0.05 0.00 0.00 56.93 56.45 3gyr s PHE 617 Cb -0.16 -0.54 0.01 0.00 -0.63 0.00 0.00 43.02 41.70 3gyr s PHE 617 CO 0.22 -0.39 -0.16 0.08 -0.05 0.00 0.00 175.22 174.92 3gyr s VAL 618 N -3.89 1.45 -0.10 -2.49 1.01 -0.10 -0.34 120.40 115.95 3gyr s VAL 618 Ca 0.21 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3gyr s VAL 618 Cb 0.07 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 3gyr s VAL 618 CO 0.00 0.42 -0.19 -0.69 0.00 0.00 0.00 175.10 174.65 3gyr s VAL 619 N 0.51 2.57 0.05 2.92 1.01 0.04 0.54 120.40 128.05 3gyr s VAL 619 Ca -0.15 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 3gyr s VAL 619 Cb -0.16 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 3gyr s VAL 619 CO 0.05 0.55 0.11 -0.04 0.00 0.00 0.00 175.10 175.78 3gyr s MET 620 N 0.09 0.66 0.35 2.72 -1.94 -0.87 -0.48 119.30 119.84 3gyr s MET 620 Ca -0.09 -0.85 -0.28 0.00 -1.71 0.00 0.00 55.69 52.76 3gyr s MET 620 Cb -0.15 0.26 -0.12 0.00 2.01 0.00 0.00 34.83 36.83 3gyr s MET 620 CO 0.05 -0.18 1.44 -2.30 -0.01 0.00 0.00 175.02 174.03 3gyr n PRO 621 N 0.47 2.48 -0.34 2.03 -0.02 -1.26 -0.36 135.00 138.01 3gyr n PRO 621 Ca -0.17 0.87 0.20 0.00 -2.02 0.00 0.00 63.50 62.38 3gyr n PRO 621 Cb 0.60 -2.56 0.44 0.00 -0.02 0.00 0.00 33.50 31.95 3gyr n PRO 621 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3gyr h PRO 622 N 3.15 0.49 -0.35 0.52 0.11 -1.91 0.20 132.00 134.22 3gyr h PRO 622 Ca -0.49 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.63 3gyr h PRO 622 Cb 1.25 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3gyr h PRO 622 CO 0.66 0.32 0.23 0.93 -0.21 0.00 0.00 178.00 179.94 3gyr h GLU 623 N 0.50 0.30 0.00 1.05 3.07 -1.98 -2.33 114.58 115.20 3gyr h GLU 623 Ca 0.62 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 3gyr h GLU 623 Cb 1.35 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 3gyr h GLU 623 CO -0.39 0.20 -0.30 0.00 -1.40 0.00 0.00 179.01 177.12 3gyr h ALA 624 N 1.81 0.84 0.00 3.43 0.00 -0.96 -3.23 119.26 121.15 3gyr h ALA 624 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3gyr h ALA 624 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3gyr h ALA 624 CO -0.03 0.00 -0.42 1.25 0.00 0.00 0.00 179.25 180.05 3gyr h LEU 625 N 0.00 0.00 -1.87 0.00 5.85 -1.08 -1.91 115.31 116.31 3gyr h LEU 625 Ca 0.00 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.83 3gyr h LEU 625 Cb 0.94 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3gyr h LEU 625 CO 0.00 0.42 0.49 0.11 -0.34 0.00 0.00 178.44 179.12 3gyr h LYS 626 N 0.00 0.00 -0.64 1.25 1.79 -1.56 -1.97 116.57 115.43 3gyr h LYS 626 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gyr h LYS 626 Cb 0.97 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 3gyr h LYS 626 CO 0.05 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.61 3gyr n PHE 627 N -3.48 1.54 -0.15 -1.35 3.72 -0.72 -5.19 117.46 111.83 3gyr n PHE 627 Ca 0.06 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.84 3gyr n PHE 627 Cb 0.65 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 3gyr n PHE 627 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24