#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3m n SER 4 N 0.00 0.00 0.09 0.00 2.88 -1.26 -3.97 113.62 111.36 1c3m n SER 4 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1c3m n SER 4 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1c3m n SER 4 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1c3m n ASP 5 N 0.47 -0.08 -1.61 -3.46 4.64 -1.26 -4.75 116.55 110.50 1c3m n ASP 5 Ca 0.00 0.32 -0.12 0.00 -1.38 0.00 0.00 54.79 53.61 1c3m n ASP 5 Cb 0.00 0.25 0.20 0.00 -1.04 0.00 0.00 41.12 40.53 1c3m n ASP 5 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 1c3m n ILE 6 N -3.15 2.82 0.10 5.18 -5.35 -1.25 -4.71 119.36 113.00 1c3m n ILE 6 Ca 0.00 -2.36 -0.16 0.00 -0.27 0.00 0.00 62.75 59.96 1c3m n ILE 6 Cb 0.00 -0.38 -0.14 0.00 -1.74 0.00 0.00 39.64 37.38 1c3m n ILE 6 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1c3m h ALA 7 N 1.10 0.10 -3.12 -1.28 0.00 -1.85 -3.37 119.26 110.83 1c3m h ALA 7 Ca 0.38 -0.90 -0.69 0.00 0.00 0.00 0.00 54.91 53.69 1c3m h ALA 7 Cb 2.16 0.04 -0.28 0.00 0.00 0.00 0.00 17.79 19.71 1c3m h ALA 7 CO 0.68 0.97 -0.61 0.08 0.00 0.00 0.00 179.25 180.37 1c3m s VAL 8 N -2.65 3.81 -0.34 0.00 1.01 -1.26 -4.90 120.40 116.06 1c3m s VAL 8 Ca -0.05 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 1c3m s VAL 8 Cb 0.07 -3.11 0.07 0.00 0.00 0.00 0.00 36.38 33.41 1c3m s VAL 8 CO 0.88 -0.11 0.09 -1.10 0.00 0.00 0.00 175.10 174.86 1c3m s GLN 9 N 1.42 2.30 -0.18 2.72 -0.21 -1.26 -1.83 119.66 122.62 1c3m s GLN 9 Ca -0.01 -1.45 -0.15 0.00 0.02 0.00 0.00 55.36 53.77 1c3m s GLN 9 Cb -0.19 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.42 1c3m s GLN 9 CO 0.03 -0.78 0.37 0.00 -2.12 0.00 0.00 175.29 172.78 1c3m s ALA 10 N 1.23 3.56 0.00 6.09 0.00 -0.32 -4.88 121.76 127.44 1c3m s ALA 10 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1c3m s ALA 10 Cb -0.21 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1c3m s ALA 10 CO -0.02 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1c3m n GLY 11 N 3.70 0.16 3.92 0.00 0.00 -1.26 -1.09 105.19 110.63 1c3m n GLY 11 Ca -0.09 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.83 1c3m n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c3m s PRO 12 N 0.00 2.00 -0.04 1.61 0.04 -1.26 -4.99 135.00 132.35 1c3m s PRO 12 Ca 0.00 -0.17 0.06 0.00 0.04 0.00 0.00 61.00 60.93 1c3m s PRO 12 Cb 0.00 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1c3m s PRO 12 CO 0.00 -1.45 -0.21 -1.58 0.04 0.00 0.00 177.00 173.80 1c3m s TRP 13 N -3.40 2.49 -2.28 0.56 0.51 -0.12 -4.87 118.94 111.83 1c3m s TRP 13 Ca 0.62 -0.39 0.00 0.00 -2.12 0.00 0.00 56.10 54.21 1c3m s TRP 13 Cb -0.10 -1.57 0.00 0.00 -0.81 0.00 0.00 33.47 30.99 1c3m s TRP 13 CO 0.47 0.01 0.00 0.41 -0.51 0.00 0.00 176.95 177.33 1c3m n GLY 14 N 2.50 0.59 0.12 0.98 0.00 -1.26 -2.06 105.19 106.07 1c3m n GLY 14 Ca -0.17 -1.96 -0.01 0.00 0.00 0.00 0.00 46.02 43.89 1c3m n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c3m n GLY 15 N 0.00 1.18 0.61 -0.02 0.00 0.35 -4.92 105.19 102.39 1c3m n GLY 15 Ca 0.00 -2.02 0.08 0.00 0.00 0.00 0.00 46.02 44.08 1c3m n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1c3m n ASN 16 N -2.99 2.27 -3.83 1.61 3.02 -1.26 -4.49 115.26 109.58 1c3m n ASN 16 Ca 0.01 -1.63 -0.30 0.00 -0.03 0.00 0.00 54.58 52.62 1c3m n ASN 16 Cb 0.02 0.04 0.23 0.00 -0.61 0.00 0.00 39.78 39.46 1c3m n ASN 16 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1c3m s GLY 17 N -1.38 1.65 0.06 7.41 0.00 -1.26 -4.95 107.32 108.85 1c3m s GLY 17 Ca 0.18 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1c3m s GLY 17 CO 0.22 -0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.72 1c3m n GLY 18 N -1.86 -1.45 3.50 0.20 0.00 -1.26 -4.50 105.19 99.82 1c3m n GLY 18 Ca 0.15 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 1c3m n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3m s LYS 19 N -0.44 2.07 0.26 1.61 1.02 -0.24 -4.73 119.74 119.30 1c3m s LYS 19 Ca 0.00 -1.00 -0.30 0.00 0.02 0.00 0.00 55.97 54.69 1c3m s LYS 19 Cb 0.00 -2.23 -0.10 0.00 -0.52 0.00 0.00 37.83 34.98 1c3m s LYS 19 CO 0.00 0.53 1.49 0.50 -0.92 0.00 0.00 175.35 176.95 1c3m s ARG 20 N -1.70 4.22 0.07 1.68 6.06 -1.26 -1.05 118.95 126.97 1c3m s ARG 20 Ca 0.17 2.40 -0.01 0.00 -2.50 0.00 0.00 55.73 55.79 1c3m s ARG 20 Cb -0.11 -3.08 -0.04 0.00 0.06 0.00 0.00 34.95 31.78 1c3m s ARG 20 CO 0.08 -0.49 -0.01 1.67 -2.50 0.00 0.00 175.30 174.05 1c3m s TRP 21 N -0.00 0.62 -0.12 5.12 1.48 0.68 -4.94 118.94 121.78 1c3m s TRP 21 Ca 0.61 -1.11 -0.11 0.00 -1.06 0.00 0.00 56.10 54.42 1c3m s TRP 21 Cb -0.44 -0.42 0.03 0.00 -1.16 0.00 0.00 33.47 31.48 1c3m s TRP 21 CO 0.45 -0.42 0.32 -1.17 -4.06 0.00 0.00 176.95 172.07 1c3m s LEU 22 N -2.96 0.78 -0.12 -4.66 0.20 -1.26 -1.66 118.68 109.00 1c3m s LEU 22 Ca 0.12 0.64 -0.04 0.00 0.69 0.00 0.00 54.13 55.54 1c3m s LEU 22 Cb 0.08 1.10 0.06 0.00 -0.43 0.00 0.00 46.19 46.99 1c3m s LEU 22 CO -0.07 -0.11 0.20 -1.58 -0.29 0.00 0.00 176.35 174.51 1c3m s GLN 23 N 0.17 0.09 0.53 1.98 2.00 0.22 -5.00 119.66 119.66 1c3m s GLN 23 Ca -0.00 0.57 0.01 0.00 -2.00 0.00 0.00 55.36 53.94 1c3m s GLN 23 Cb -0.02 -0.34 0.01 0.00 0.80 0.00 0.00 33.01 33.46 1c3m s GLN 23 CO 0.00 -0.35 0.08 0.25 -0.50 0.00 0.00 175.29 174.77 1c3m n THR 24 N 5.33 0.00 0.06 -0.34 -2.24 -1.26 -1.17 114.28 114.65 1c3m n THR 24 Ca -0.05 -2.43 0.11 0.00 -2.27 0.00 0.00 64.05 59.41 1c3m n THR 24 Cb 0.50 0.40 0.28 0.00 -2.10 0.00 0.00 70.33 69.41 1c3m n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c3m n ALA 25 N -1.43 2.41 -4.00 6.98 0.00 -0.74 -4.96 120.51 118.77 1c3m n ALA 25 Ca -0.21 -1.09 -0.27 0.00 0.00 0.00 0.00 53.44 51.87 1c3m n ALA 25 Cb 0.66 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 19.15 1c3m n ALA 25 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1c3m n HIS 26 N 1.41 -1.67 0.00 0.00 8.25 -1.26 -1.05 115.22 120.89 1c3m n HIS 26 Ca 0.21 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.43 1c3m n HIS 26 Cb 0.56 -3.62 0.00 0.00 1.12 0.00 0.00 29.99 28.06 1c3m n HIS 26 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c3m n GLY 27 N -1.91 1.81 0.00 -1.41 0.00 -1.26 -4.50 105.19 97.92 1c3m n GLY 27 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1c3m n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c3m n GLY 28 N -2.00 0.58 3.03 -0.02 0.00 -0.22 -4.41 105.19 102.15 1c3m n GLY 28 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1c3m n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c3m s LYS 29 N 2.97 0.25 -0.12 1.61 2.20 0.94 -4.87 119.74 122.72 1c3m s LYS 29 Ca 0.00 -0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.26 1c3m s LYS 29 Cb 0.00 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.41 1c3m s LYS 29 CO 0.00 -0.05 1.20 0.42 -0.36 0.00 0.00 175.35 176.57 1c3m s ILE 30 N -0.46 4.33 -0.15 5.43 -1.09 -1.26 -0.80 121.20 127.20 1c3m s ILE 30 Ca -0.05 1.63 0.15 0.00 -2.23 0.00 0.00 60.65 60.15 1c3m s ILE 30 Cb -0.04 -4.05 -0.21 0.00 -1.58 0.00 0.00 42.46 36.58 1c3m s ILE 30 CO 0.00 -0.08 0.09 0.35 -1.23 0.00 0.00 174.94 174.08 1c3m n THR 31 N 5.02 1.02 -3.91 2.92 -2.24 0.51 -4.88 114.28 112.71 1c3m n THR 31 Ca 0.12 -0.67 -0.10 0.00 -2.27 0.00 0.00 64.05 61.13 1c3m n THR 31 Cb 0.46 -0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 68.08 1c3m n THR 31 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1c3m s SER 32 N -4.93 0.11 -0.10 3.42 0.01 -1.00 -0.94 113.70 110.27 1c3m s SER 32 Ca -0.08 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 56.89 1c3m s SER 32 Cb 0.06 0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.46 1c3m s SER 32 CO 0.68 -0.33 -0.16 -0.63 0.41 0.00 0.00 173.24 173.22 1c3m s ILE 33 N -1.36 1.49 -0.30 1.44 1.01 -0.47 -1.29 121.20 121.72 1c3m s ILE 33 Ca -0.15 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 1c3m s ILE 33 Cb -0.08 -1.35 0.03 0.00 0.01 0.00 0.00 42.46 41.07 1c3m s ILE 33 CO 0.00 0.44 0.05 -0.63 0.00 0.00 0.00 174.94 174.80 1c3m s ILE 34 N 0.85 3.52 -0.13 2.92 1.01 0.12 -1.25 121.20 128.25 1c3m s ILE 34 Ca -0.10 -1.02 -0.00 0.00 0.00 0.00 0.00 60.65 59.53 1c3m s ILE 34 Cb -0.15 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 1c3m s ILE 34 CO 0.01 -0.01 -0.13 -0.63 0.00 0.00 0.00 174.94 174.18 1c3m s ILE 35 N 1.39 3.07 -0.42 2.92 1.01 -0.35 -1.03 121.20 127.79 1c3m s ILE 35 Ca -0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 1c3m s ILE 35 Cb -0.18 -2.29 0.11 0.00 0.01 0.00 0.00 42.46 40.11 1c3m s ILE 35 CO 0.01 0.52 0.21 -0.54 0.00 0.00 0.00 174.94 175.14 1c3m s LYS 36 N 0.33 2.00 0.05 2.79 1.02 -0.35 -1.03 119.74 124.55 1c3m s LYS 36 Ca -0.10 -1.86 0.09 0.00 0.02 0.00 0.00 55.97 54.12 1c3m s LYS 36 Cb -0.16 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 1c3m s LYS 36 CO 0.06 -1.07 -0.24 0.20 -0.92 0.00 0.00 175.35 173.37 1c3m s GLY 37 N 1.74 1.47 0.00 -3.33 0.00 -1.26 -0.70 107.32 105.23 1c3m s GLY 37 Ca 0.09 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1c3m s GLY 37 CO -0.04 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.51 1c3m n GLY 38 N 1.63 3.16 0.15 0.20 0.00 -1.26 -4.62 105.19 104.45 1c3m n GLY 38 Ca -0.17 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.83 1c3m n GLY 38 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1c3m h THR 39 N 0.00 0.00 -3.10 2.61 1.35 -1.92 -2.92 112.91 108.93 1c3m h THR 39 Ca 0.00 -0.28 -0.12 0.00 -0.55 0.00 0.00 66.41 65.46 1c3m h THR 39 Cb 0.00 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.46 1c3m h THR 39 CO 0.00 0.00 0.04 0.00 -0.25 0.00 0.00 175.52 175.31 1c3m s ILE 41 N -2.55 4.70 0.09 0.00 -1.09 -0.59 -4.44 121.20 117.32 1c3m s ILE 41 Ca 0.16 -0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 1c3m s ILE 41 Cb -0.02 -4.35 -0.25 0.00 -1.58 0.00 0.00 42.46 36.26 1c3m s ILE 41 CO 0.12 -0.83 1.19 -0.26 -1.23 0.00 0.00 174.94 173.93 1c3m h PHE 42 N 9.05 0.29 -2.06 3.97 -1.00 -1.24 -1.19 116.94 124.76 1c3m h PHE 42 Ca -0.26 -0.21 -0.06 0.00 2.81 0.00 0.00 57.97 60.25 1c3m h PHE 42 Cb 1.09 -0.01 -0.20 0.00 3.61 0.00 0.00 35.95 40.44 1c3m h PHE 42 CO 0.79 1.17 0.13 0.45 -1.61 0.00 0.00 178.31 179.25 1c3m s SER 43 N -6.96 -0.67 0.02 2.17 0.15 -1.07 -3.52 113.70 103.81 1c3m s SER 43 Ca -0.02 1.01 0.01 0.00 0.70 0.00 0.00 55.95 57.66 1c3m s SER 43 Cb 0.08 0.94 -0.01 0.00 -1.71 0.00 0.00 66.02 65.32 1c3m s SER 43 CO 0.86 -0.43 -0.05 -0.51 1.20 0.00 0.00 173.24 174.30 1c3m s ILE 44 N -0.48 0.37 -0.08 6.45 2.07 -0.30 -1.21 121.20 128.03 1c3m s ILE 44 Ca -0.06 -0.58 -0.12 0.00 -1.41 0.00 0.00 60.65 58.48 1c3m s ILE 44 Cb -0.02 -0.39 0.03 0.00 0.13 0.00 0.00 42.46 42.21 1c3m s ILE 44 CO 0.06 -0.15 0.31 -1.58 -1.91 0.00 0.00 174.94 171.67 1c3m s GLN 45 N -0.78 0.49 0.04 3.50 0.74 -0.20 -0.81 119.66 122.63 1c3m s GLN 45 Ca -0.05 0.18 0.08 0.00 0.05 0.00 0.00 55.36 55.63 1c3m s GLN 45 Cb -0.06 0.22 -0.03 0.00 1.10 0.00 0.00 33.01 34.25 1c3m s GLN 45 CO -0.00 -0.10 -0.23 -0.06 -0.55 0.00 0.00 175.29 174.35 1c3m s PHE 46 N -0.43 2.42 -0.07 1.67 0.40 -1.26 -0.70 117.98 120.01 1c3m s PHE 46 Ca -0.05 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 55.95 1c3m s PHE 46 Cb -0.04 -1.43 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 1c3m s PHE 46 CO 0.02 0.16 -0.14 0.08 0.70 0.00 0.00 175.22 176.04 1c3m s VAL 47 N -0.83 3.06 0.15 -0.44 1.01 -0.41 -0.79 120.40 122.15 1c3m s VAL 47 Ca 0.13 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1c3m s VAL 47 Cb -0.10 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 1c3m s VAL 47 CO 0.03 0.58 0.27 -0.72 0.00 0.00 0.00 175.10 175.26 1c3m s TYR 48 N -0.47 0.31 -0.02 5.22 -0.85 0.34 -0.36 117.35 121.51 1c3m s TYR 48 Ca 0.06 -0.68 0.07 0.00 -0.52 0.00 0.00 57.07 56.00 1c3m s TYR 48 Cb -0.12 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.17 1c3m s TYR 48 CO 0.02 -0.68 -0.25 0.15 -1.52 0.00 0.00 175.55 173.26 1c3m s LYS 49 N -3.94 2.09 0.78 -3.49 1.02 0.02 0.42 119.74 116.64 1c3m s LYS 49 Ca 0.14 -0.89 -0.08 0.00 0.02 0.00 0.00 55.97 55.16 1c3m s LYS 49 Cb 0.03 -1.98 0.17 0.00 -0.52 0.00 0.00 37.83 35.53 1c3m s LYS 49 CO -0.03 0.52 1.06 -0.40 -0.92 0.00 0.00 175.35 175.58 1c3m n ASP 50 N 2.53 0.66 0.25 2.83 5.68 -0.94 -0.04 116.55 127.51 1c3m n ASP 50 Ca -0.16 -1.74 0.17 0.00 -0.50 0.00 0.00 54.79 52.57 1c3m n ASP 50 Cb 0.51 -0.76 0.82 0.00 -1.14 0.00 0.00 41.12 40.56 1c3m n ASP 50 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1c3m h LYS 51 N 0.00 0.00 -0.59 0.11 1.57 -1.79 -1.65 116.57 114.22 1c3m h LYS 51 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1c3m h LYS 51 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1c3m h LYS 51 CO 0.30 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.93 1c3m n ASP 52 N -3.23 4.99 -1.04 0.86 8.00 -1.26 -4.97 116.55 119.91 1c3m n ASP 52 Ca 0.01 -2.64 -0.14 0.00 0.71 0.00 0.00 54.79 52.73 1c3m n ASP 52 Cb 0.43 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 1c3m n ASP 52 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1c3m n ASN 53 N 0.82 -4.66 -4.75 -2.24 3.02 -0.62 -5.00 115.26 101.83 1c3m n ASN 53 Ca 0.26 0.34 -0.40 0.00 -0.03 0.00 0.00 54.58 54.74 1c3m n ASN 53 Cb 0.99 -3.35 -0.05 0.00 -0.61 0.00 0.00 39.78 36.75 1c3m n ASN 53 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1c3m s ILE 54 N -2.49 4.44 -0.06 2.41 1.09 -1.26 -4.85 121.20 120.47 1c3m s ILE 54 Ca 0.00 1.90 -0.14 0.00 -1.10 0.00 0.00 60.65 61.31 1c3m s ILE 54 Cb 0.00 -4.24 -0.05 0.00 -1.06 0.00 0.00 42.46 37.11 1c3m s ILE 54 CO 0.00 0.41 0.35 -0.70 -0.10 0.00 0.00 174.94 174.90 1c3m s GLU 55 N -0.49 3.95 0.09 2.79 2.12 -1.26 -2.22 118.70 123.69 1c3m s GLU 55 Ca 0.41 0.27 0.04 0.00 0.36 0.00 0.00 54.97 56.06 1c3m s GLU 55 Cb -0.23 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1c3m s GLU 55 CO 0.28 0.56 -0.11 0.71 -0.54 0.00 0.00 175.26 176.16 1c3m s TYR 56 N -0.60 1.12 -0.08 5.30 1.51 0.17 -4.96 117.35 119.80 1c3m s TYR 56 Ca 0.21 -0.58 0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1c3m s TYR 56 Cb -0.15 -0.61 -0.02 0.00 -0.11 0.00 0.00 41.96 41.07 1c3m s TYR 56 CO 0.10 0.03 -0.18 -1.01 -1.11 0.00 0.00 175.55 173.38 1c3m s HIS 57 N -2.05 2.65 0.74 2.71 3.76 -1.26 -0.51 115.29 121.33 1c3m s HIS 57 Ca 0.03 -0.54 -0.09 0.00 -0.15 0.00 0.00 55.06 54.31 1c3m s HIS 57 Cb -0.05 -1.69 0.07 0.00 1.11 0.00 0.00 32.58 32.01 1c3m s HIS 57 CO 0.01 -0.10 1.08 -1.54 -0.85 0.00 0.00 174.74 173.33 1c3m s SER 58 N -0.14 4.70 0.99 1.40 1.04 0.03 -5.02 113.70 116.70 1c3m s SER 58 Ca -0.02 0.58 -0.16 0.00 0.48 0.00 0.00 55.95 56.83 1c3m s SER 58 Cb -0.14 -1.17 0.20 0.00 0.10 0.00 0.00 66.02 65.01 1c3m s SER 58 CO 0.04 -1.71 1.25 -0.83 0.98 0.00 0.00 173.24 172.97 1c3m s GLY 59 N -4.54 1.71 0.18 7.32 0.00 -1.26 -4.67 107.32 106.06 1c3m s GLY 59 Ca 0.61 -1.04 -0.26 0.00 0.00 0.00 0.00 44.72 44.02 1c3m s GLY 59 CO 0.46 -0.30 0.81 0.54 0.00 0.00 0.00 173.10 174.61 1c3m s LYS 60 N -5.72 4.62 -0.30 2.90 1.02 -1.26 -4.58 119.74 116.41 1c3m s LYS 60 Ca 0.71 1.22 -0.02 0.00 0.02 0.00 0.00 55.97 57.91 1c3m s LYS 60 Cb -0.07 -3.25 0.05 0.00 -0.52 0.00 0.00 37.83 34.04 1c3m s LYS 60 CO 0.53 0.56 -0.00 -0.06 -0.92 0.00 0.00 175.35 175.45 1c3m s PHE 61 N -1.17 3.26 0.00 3.18 0.40 0.01 -4.85 117.98 118.81 1c3m s PHE 61 Ca 0.37 -1.88 0.00 0.00 -0.60 0.00 0.00 56.93 54.82 1c3m s PHE 61 Cb -0.24 -2.10 0.00 0.00 0.51 0.00 0.00 43.02 41.19 1c3m s PHE 61 CO 0.27 -0.80 0.00 0.41 0.70 0.00 0.00 175.22 175.80 1c3m n GLY 62 N 4.62 2.06 0.00 4.36 0.00 -1.25 -1.15 105.19 113.82 1c3m n GLY 62 Ca -0.13 -1.45 0.02 0.00 0.00 0.00 0.00 46.02 44.46 1c3m n GLY 62 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1c3m n VAL 63 N 2.39 0.00 -1.24 1.61 0.24 0.70 -4.54 118.33 117.50 1c3m n VAL 63 Ca 0.00 -0.39 -0.12 0.00 -2.04 0.00 0.00 64.34 61.80 1c3m n VAL 63 Cb 0.00 1.00 0.09 0.00 -1.47 0.00 0.00 33.84 33.46 1c3m n VAL 63 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1c3m n LEU 64 N -1.10 0.00 0.00 1.34 4.77 -0.44 -5.01 117.00 116.56 1c3m n LEU 64 Ca 0.01 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1c3m n LEU 64 Cb 0.08 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1c3m n LEU 64 CO 0.10 -1.00 0.00 0.61 -1.33 0.00 0.00 177.39 175.77 1c3m n GLY 65 N 1.10 -0.44 0.39 -0.72 0.00 -1.26 -4.36 105.19 99.90 1c3m n GLY 65 Ca 0.07 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1c3m n GLY 65 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1c3m n ASP 66 N -0.62 0.00 -4.76 1.61 5.75 -1.26 -5.06 116.55 112.20 1c3m n ASP 66 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.43 1c3m n ASP 66 Cb 0.00 -0.19 0.02 0.00 -1.03 0.00 0.00 41.12 39.92 1c3m n ASP 66 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1c3m s LYS 67 N -0.78 3.11 0.04 0.11 2.36 -1.26 -5.07 119.74 118.26 1c3m s LYS 67 Ca 0.00 1.70 0.02 0.00 -2.55 0.00 0.00 55.97 55.14 1c3m s LYS 67 Cb 0.00 -1.96 -0.03 0.00 -1.05 0.00 0.00 37.83 34.79 1c3m s LYS 67 CO 0.00 -1.06 -0.06 0.00 1.55 0.00 0.00 175.35 175.77 1c3m s ALA 68 N -1.73 0.53 -0.03 3.13 0.00 -1.26 -4.45 121.76 117.96 1c3m s ALA 68 Ca 0.75 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.96 1c3m s ALA 68 Cb -0.27 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1c3m s ALA 68 CO 0.31 -0.09 -0.25 -1.21 0.00 0.00 0.00 175.76 174.52 1c3m s GLU 69 N -1.94 2.14 -0.05 0.00 2.02 -0.20 -4.99 118.70 115.68 1c3m s GLU 69 Ca -0.08 -0.90 0.03 0.00 0.02 0.00 0.00 54.97 54.04 1c3m s GLU 69 Cb -0.07 -2.01 0.01 0.00 0.10 0.00 0.00 34.13 32.15 1c3m s GLU 69 CO -0.01 0.51 -0.13 0.99 0.02 0.00 0.00 175.26 176.64 1c3m s THR 70 N -0.51 1.14 -0.10 3.63 2.01 -1.26 -1.22 115.64 119.34 1c3m s THR 70 Ca 0.07 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.57 1c3m s THR 70 Cb -0.10 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 1c3m s THR 70 CO -0.00 0.35 -0.16 0.27 -0.69 0.00 0.00 174.62 174.39 1c3m s ILE 71 N 0.39 2.86 -0.13 1.82 -4.36 -0.38 -4.99 121.20 116.41 1c3m s ILE 71 Ca -0.09 -0.75 0.01 0.00 -0.26 0.00 0.00 60.65 59.56 1c3m s ILE 71 Cb -0.13 -2.16 0.02 0.00 1.25 0.00 0.00 42.46 41.44 1c3m s ILE 71 CO 0.03 0.55 -0.15 -0.89 0.24 0.00 0.00 174.94 174.71 1c3m s THR 72 N 0.07 1.58 0.36 8.37 2.01 -1.26 -1.37 115.64 125.40 1c3m s THR 72 Ca -0.06 -0.66 -0.17 0.00 0.31 0.00 0.00 61.69 61.10 1c3m s THR 72 Cb -0.15 -1.45 -0.10 0.00 0.01 0.00 0.00 72.50 70.81 1c3m s THR 72 CO 0.05 0.46 0.81 -0.36 -0.69 0.00 0.00 174.62 174.88 1c3m s PHE 73 N 1.20 3.36 0.85 4.92 2.99 -0.12 -5.01 117.98 126.17 1c3m s PHE 73 Ca -0.01 1.35 -0.11 0.00 0.00 0.00 0.00 56.93 58.16 1c3m s PHE 73 Cb -0.14 -2.64 0.10 0.00 0.00 0.00 0.00 43.02 40.34 1c3m s PHE 73 CO -0.06 0.03 1.09 0.00 -0.00 0.00 0.00 175.22 176.28 1c3m s ALA 74 N -2.04 1.79 0.31 5.36 0.00 -1.26 -4.94 121.76 120.98 1c3m s ALA 74 Ca 0.57 0.08 0.29 0.00 0.00 0.00 0.00 51.96 52.90 1c3m s ALA 74 Cb -0.10 -3.23 1.37 0.00 0.00 0.00 0.00 23.12 21.16 1c3m s ALA 74 CO 0.16 -2.16 2.01 0.93 0.00 0.00 0.00 175.76 176.71 1c3m h GLU 75 N -1.41 0.00 -0.56 0.00 5.08 -2.00 -2.38 114.58 113.31 1c3m h GLU 75 Ca -0.47 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.61 1c3m h GLU 75 Cb 1.26 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.34 1c3m h GLU 75 CO 0.53 0.12 0.16 -0.40 -1.00 0.00 0.00 179.01 178.42 1c3m n ASP 76 N -3.43 2.97 -4.35 1.42 3.85 -1.26 -4.95 116.55 110.79 1c3m n ASP 76 Ca -0.01 -3.69 -0.32 0.00 -0.71 0.00 0.00 54.79 50.05 1c3m n ASP 76 Cb 0.29 -0.70 -0.15 0.00 -1.35 0.00 0.00 41.12 39.21 1c3m n ASP 76 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1c3m s GLU 77 N -3.25 2.98 0.04 0.11 2.12 -0.90 -4.95 118.70 114.86 1c3m s GLU 77 Ca 0.49 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 55.09 1c3m s GLU 77 Cb 0.43 -2.44 -0.02 0.00 0.26 0.00 0.00 34.13 32.36 1c3m s GLU 77 CO 0.04 0.33 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.49 1c3m s ASP 78 N 0.01 1.05 0.19 -1.70 1.01 -1.26 -4.77 116.67 111.20 1c3m s ASP 78 Ca -0.06 -0.52 -0.30 0.00 0.71 0.00 0.00 52.55 52.38 1c3m s ASP 78 Cb -0.15 0.00 -0.08 0.00 1.01 0.00 0.00 42.92 43.70 1c3m s ASP 78 CO 0.05 -0.14 1.28 -0.63 0.21 0.00 0.00 175.17 175.93 1c3m s ILE 79 N -1.22 3.34 -0.03 0.77 1.01 -1.26 -2.30 121.20 121.51 1c3m s ILE 79 Ca -0.07 1.10 0.01 0.00 0.00 0.00 0.00 60.65 61.69 1c3m s ILE 79 Cb -0.09 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 1c3m s ILE 79 CO 0.01 0.16 0.03 0.35 0.00 0.00 0.00 174.94 175.49 1c3m n THR 80 N 2.68 0.00 -3.55 2.92 -2.24 0.11 -4.49 114.28 109.70 1c3m n THR 80 Ca 0.06 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 1c3m n THR 80 Cb 0.43 0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 69.55 1c3m n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c3m s ALA 81 N -1.18 -1.87 0.06 6.98 0.00 -1.12 -0.68 121.76 123.95 1c3m s ALA 81 Ca 0.00 1.47 0.04 0.00 0.00 0.00 0.00 51.96 53.47 1c3m s ALA 81 Cb 0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1c3m s ALA 81 CO 0.03 -0.34 -0.11 0.96 0.00 0.00 0.00 175.76 176.30 1c3m s ILE 82 N -1.19 0.83 0.28 0.00 -4.36 -1.01 -1.09 121.20 114.65 1c3m s ILE 82 Ca -0.05 -1.20 -0.16 0.00 -0.26 0.00 0.00 60.65 58.99 1c3m s ILE 82 Cb -0.00 -0.85 0.01 0.00 1.25 0.00 0.00 42.46 42.87 1c3m s ILE 82 CO 0.05 -0.30 0.60 -0.94 0.24 0.00 0.00 174.94 174.58 1c3m s SER 83 N -1.66 -0.10 0.00 4.36 1.04 -0.81 -0.23 113.70 116.30 1c3m s SER 83 Ca -0.06 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1c3m s SER 83 Cb -0.10 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1c3m s SER 83 CO 0.01 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.57 1c3m n GLY 84 N -0.43 -0.80 3.07 7.32 0.00 -0.79 -0.54 105.19 113.02 1c3m n GLY 84 Ca -0.03 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 1c3m n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c3m s THR 85 N -3.00 0.19 0.06 2.61 -4.23 -0.76 -2.01 115.64 108.50 1c3m s THR 85 Ca 0.00 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1c3m s THR 85 Cb 0.00 -1.20 -0.03 0.00 1.34 0.00 0.00 72.50 72.61 1c3m s THR 85 CO 0.00 -0.86 -0.06 0.72 -0.54 0.00 0.00 174.62 173.89 1c3m s PHE 86 N -3.30 0.66 -0.02 3.99 -0.12 -0.18 -1.07 117.98 117.95 1c3m s PHE 86 Ca 0.01 -0.78 -0.09 0.00 -0.05 0.00 0.00 56.93 56.02 1c3m s PHE 86 Cb 0.03 -0.41 0.03 0.00 -0.63 0.00 0.00 43.02 42.04 1c3m s PHE 86 CO -0.08 -0.19 0.41 0.41 -0.05 0.00 0.00 175.22 175.72 1c3m n GLY 87 N 0.64 0.43 3.75 1.99 0.00 -0.59 -3.10 105.19 108.31 1c3m n GLY 87 Ca -0.17 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 1c3m n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c3m s ALA 88 N -1.31 3.51 -0.28 4.61 0.00 -1.26 -1.66 121.76 125.37 1c3m s ALA 88 Ca 0.10 1.16 -0.04 0.00 0.00 0.00 0.00 51.96 53.17 1c3m s ALA 88 Cb -0.00 -3.47 0.10 0.00 0.00 0.00 0.00 23.12 19.75 1c3m s ALA 88 CO -0.00 -0.54 0.12 -0.47 0.00 0.00 0.00 175.76 174.86 1c3m s TYR 89 N -0.51 0.40 0.00 0.00 5.04 0.55 -4.91 117.35 117.91 1c3m s TYR 89 Ca 0.53 -0.88 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 1c3m s TYR 89 Cb -0.38 -0.93 0.00 0.00 0.35 0.00 0.00 41.96 41.01 1c3m s TYR 89 CO 0.44 -0.80 0.00 0.66 -1.34 0.00 0.00 175.55 174.51 1c3m n TYR 90 N 5.23 0.00 -1.50 4.97 4.02 -1.26 -2.42 117.16 126.20 1c3m n TYR 90 Ca -0.06 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.68 1c3m n TYR 90 Cb 0.43 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.90 1c3m n TYR 90 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1c3m n HIS 91 N 13.64 1.97 -4.20 -0.72 8.25 -1.26 -4.95 115.22 127.94 1c3m n HIS 91 Ca 0.00 -1.97 -0.15 0.00 -0.26 0.00 0.00 57.72 55.35 1c3m n HIS 91 Cb 0.00 -0.68 -0.11 0.00 1.12 0.00 0.00 29.99 30.32 1c3m n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1c3m s MET 92 N -3.41 0.92 -0.22 -0.41 0.00 -1.01 -5.13 119.30 110.04 1c3m s MET 92 Ca 0.51 -1.24 -0.13 0.00 0.00 0.00 0.00 55.69 54.82 1c3m s MET 92 Cb 0.43 -0.60 -0.04 0.00 0.00 0.00 0.00 34.83 34.62 1c3m s MET 92 CO 0.02 0.09 0.27 0.99 0.00 0.00 0.00 175.02 176.39 1c3m s THR 93 N -2.65 5.28 0.25 3.16 2.01 -1.26 -0.33 115.64 122.10 1c3m s THR 93 Ca 0.09 0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.53 1c3m s THR 93 Cb -0.02 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1c3m s THR 93 CO 0.00 0.30 0.16 0.68 -0.69 0.00 0.00 174.62 175.07 1c3m s VAL 94 N 1.21 0.09 -0.03 3.82 -7.23 -0.67 -2.56 120.40 115.03 1c3m s VAL 94 Ca 0.13 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.00 1c3m s VAL 94 Cb -0.14 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1c3m s VAL 94 CO 0.06 0.00 1.21 -0.69 -0.31 0.00 0.00 175.10 175.37 1c3m s VAL 95 N -3.89 4.18 -0.19 1.32 1.01 -0.34 -1.55 120.40 120.94 1c3m s VAL 95 Ca 0.39 1.52 0.16 0.00 0.00 0.00 0.00 61.98 64.05 1c3m s VAL 95 Cb 0.06 -3.98 -0.23 0.00 0.00 0.00 0.00 36.38 32.23 1c3m s VAL 95 CO 0.16 0.03 0.06 0.35 0.00 0.00 0.00 175.10 175.69 1c3m n THR 96 N 4.46 1.29 -3.78 3.92 -2.24 -0.23 -1.54 114.28 116.17 1c3m n THR 96 Ca 0.11 -0.79 -0.11 0.00 -2.27 0.00 0.00 64.05 60.99 1c3m n THR 96 Cb 0.46 -0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 68.09 1c3m n THR 96 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1c3m s SER 97 N -5.34 -0.08 0.02 3.42 1.04 -1.16 0.14 113.70 111.74 1c3m s SER 97 Ca -0.10 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.06 1c3m s SER 97 Cb 0.06 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 1c3m s SER 97 CO 0.76 -0.63 -0.04 -0.76 0.98 0.00 0.00 173.24 173.56 1c3m s LEU 98 N -2.18 2.15 -0.02 2.42 1.43 -0.89 -1.84 118.68 119.76 1c3m s LEU 98 Ca -0.04 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1c3m s LEU 98 Cb -0.00 -0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.19 1c3m s LEU 98 CO -0.05 -0.16 -0.06 -0.89 0.23 0.00 0.00 176.35 175.43 1c3m s THR 99 N -0.91 0.52 -0.05 5.49 2.01 0.30 -1.42 115.64 121.58 1c3m s THR 99 Ca -0.08 -0.23 0.06 0.00 0.31 0.00 0.00 61.69 61.74 1c3m s THR 99 Cb -0.06 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 1c3m s THR 99 CO -0.00 0.17 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.51 1c3m s PHE 100 N 0.15 2.47 -0.04 4.92 0.40 -0.54 -1.93 117.98 123.42 1c3m s PHE 100 Ca -0.02 -0.52 0.07 0.00 -0.60 0.00 0.00 56.93 55.86 1c3m s PHE 100 Cb -0.06 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.87 1c3m s PHE 100 CO -0.00 -0.08 -0.25 -1.14 0.70 0.00 0.00 175.22 174.44 1c3m s GLN 101 N -0.39 2.39 0.43 0.44 0.74 -0.25 -0.08 119.66 122.94 1c3m s GLN 101 Ca 0.03 -0.91 0.02 0.00 0.05 0.00 0.00 55.36 54.56 1c3m s GLN 101 Cb -0.12 -2.12 -0.01 0.00 1.10 0.00 0.00 33.01 31.86 1c3m s GLN 101 CO 0.02 0.45 0.09 0.25 -0.55 0.00 0.00 175.29 175.55 1c3m n THR 102 N 2.75 0.00 0.63 -0.34 -2.24 -0.06 0.05 114.28 115.07 1c3m n THR 102 Ca -0.17 -2.30 0.08 0.00 -2.27 0.00 0.00 64.05 59.39 1c3m n THR 102 Cb 0.52 0.69 0.37 0.00 -2.10 0.00 0.00 70.33 69.81 1c3m n THR 102 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1c3m n ASN 103 N -1.45 0.00 -0.08 3.42 6.94 -0.97 -3.39 115.26 119.72 1c3m n ASN 103 Ca -0.11 0.33 -0.11 0.00 -0.02 0.00 0.00 54.58 54.68 1c3m n ASN 103 Cb 0.60 -0.42 -0.09 0.00 -2.36 0.00 0.00 39.78 37.51 1c3m n ASN 103 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1c3m n LYS 104 N -1.42 0.84 -3.92 -3.83 4.76 -1.26 -5.05 118.16 108.28 1c3m n LYS 104 Ca 0.05 0.07 -0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1c3m n LYS 104 Cb 0.17 -1.35 0.01 0.00 -1.84 0.00 0.00 35.03 32.02 1c3m n LYS 104 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1c3m s LYS 105 N -2.34 0.82 -0.13 1.97 -2.85 -1.22 -5.15 119.74 110.84 1c3m s LYS 105 Ca -0.19 -0.53 -0.04 0.00 -1.00 0.00 0.00 55.97 54.21 1c3m s LYS 105 Cb 0.05 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 1c3m s LYS 105 CO 0.45 -0.39 0.03 0.08 0.10 0.00 0.00 175.35 175.62 1c3m s VAL 106 N -2.13 4.50 -0.06 1.79 1.01 -1.26 -0.88 120.40 123.37 1c3m s VAL 106 Ca 0.25 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.11 1c3m s VAL 106 Cb -0.01 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1c3m s VAL 106 CO 0.02 0.54 -0.17 -0.31 0.00 0.00 0.00 175.10 175.18 1c3m s TYR 107 N -0.25 2.66 0.00 5.22 1.51 0.89 -4.99 117.35 122.38 1c3m s TYR 107 Ca 0.07 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1c3m s TYR 107 Cb -0.12 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 1c3m s TYR 107 CO 0.02 0.03 0.00 0.41 -1.11 0.00 0.00 175.55 174.90 1c3m n GLY 108 N 2.66 -1.70 3.75 0.71 0.00 -1.26 -1.46 105.19 107.89 1c3m n GLY 108 Ca -0.17 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.43 1c3m n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c3m s PRO 109 N 0.00 3.00 0.01 1.61 0.04 -1.26 -5.01 135.00 133.39 1c3m s PRO 109 Ca 0.00 1.98 0.03 0.00 0.04 0.00 0.00 61.00 63.05 1c3m s PRO 109 Cb 0.00 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1c3m s PRO 109 CO 0.00 -1.22 -0.07 -0.06 0.04 0.00 0.00 177.00 175.69 1c3m s PHE 110 N -1.47 2.89 0.00 0.56 0.40 -0.51 -4.95 117.98 114.90 1c3m s PHE 110 Ca 0.76 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 57.05 1c3m s PHE 110 Cb -0.34 -1.60 0.00 0.00 0.51 0.00 0.00 43.02 41.59 1c3m s PHE 110 CO 0.38 0.38 0.00 0.41 0.70 0.00 0.00 175.22 177.09 1c3m n GLY 111 N 1.47 -0.75 3.20 4.36 0.00 -1.26 -2.10 105.19 110.11 1c3m n GLY 111 Ca -0.15 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 1c3m n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c3m s THR 112 N 0.00 2.30 -0.59 2.61 2.01 0.12 -4.83 115.64 117.26 1c3m s THR 112 Ca 0.00 -0.89 -0.26 0.00 0.31 0.00 0.00 61.69 60.84 1c3m s THR 112 Cb 0.00 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1c3m s THR 112 CO 0.00 0.53 2.04 -0.69 -0.69 0.00 0.00 174.62 175.82 1c3m s VAL 113 N 0.85 3.24 0.00 3.82 1.01 -1.26 -3.66 120.40 124.40 1c3m s VAL 113 Ca -0.06 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1c3m s VAL 113 Cb -0.15 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1c3m s VAL 113 CO -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 175.10 174.46 1c3m n ALA 114 N 13.91 0.00 0.13 5.51 0.00 -1.26 -5.05 120.51 133.74 1c3m n ALA 114 Ca 0.27 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.47 1c3m n ALA 114 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.82 1c3m n ALA 114 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1c3m h SER 115 N 0.00 0.78 -3.48 0.00 0.87 -1.93 -3.45 113.55 106.34 1c3m h SER 115 Ca 0.00 -0.92 -0.60 0.00 -1.23 0.00 0.00 61.79 59.03 1c3m h SER 115 Cb 0.00 -0.25 -0.11 0.00 -0.44 0.00 0.00 62.40 61.60 1c3m h SER 115 CO 0.00 1.65 0.09 -0.44 -0.53 0.00 0.00 176.83 177.60 1c3m s SER 116 N -7.47 6.58 0.31 6.23 0.01 -1.18 -4.99 113.70 113.19 1c3m s SER 116 Ca -0.10 0.70 0.01 0.00 1.31 0.00 0.00 55.95 57.88 1c3m s SER 116 Cb 0.03 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 1c3m s SER 116 CO 0.93 -0.30 0.49 -0.44 0.41 0.00 0.00 173.24 174.33 1c3m s SER 117 N 1.36 6.31 -0.02 2.44 0.01 -1.26 -1.01 113.70 121.53 1c3m s SER 117 Ca 0.26 0.36 -0.16 0.00 1.31 0.00 0.00 55.95 57.72 1c3m s SER 117 Cb -0.16 -1.99 0.03 0.00 0.21 0.00 0.00 66.02 64.11 1c3m s SER 117 CO 0.09 -0.22 0.34 0.72 0.41 0.00 0.00 173.24 174.59 1c3m s PHE 118 N -2.19 -0.23 -0.07 2.43 -0.12 -0.85 -4.95 117.98 112.00 1c3m s PHE 118 Ca 0.38 0.37 -0.04 0.00 -0.05 0.00 0.00 56.93 57.59 1c3m s PHE 118 Cb -0.10 0.12 0.03 0.00 -0.63 0.00 0.00 43.02 42.45 1c3m s PHE 118 CO 0.34 -0.40 0.17 0.45 -0.05 0.00 0.00 175.22 175.73 1c3m s SER 119 N -1.23 -0.16 -0.46 1.98 0.15 -1.26 -1.88 113.70 110.83 1c3m s SER 119 Ca -0.13 0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.90 1c3m s SER 119 Cb -0.05 0.28 0.16 0.00 -1.71 0.00 0.00 66.02 64.70 1c3m s SER 119 CO 0.04 -0.11 0.34 -0.22 1.20 0.00 0.00 173.24 174.49 1c3m s LEU 120 N 0.73 2.15 0.33 3.45 0.20 0.68 -4.99 118.68 121.22 1c3m s LEU 120 Ca -0.05 -3.02 -0.07 0.00 0.69 0.00 0.00 54.13 51.67 1c3m s LEU 120 Cb -0.07 -0.73 -0.06 0.00 -0.43 0.00 0.00 46.19 44.90 1c3m s LEU 120 CO -0.04 -0.19 0.64 -2.16 -0.29 0.00 0.00 176.35 174.31 1c3m s PRO 121 N -0.03 3.71 -0.18 0.98 0.04 -1.26 -2.41 135.00 135.84 1c3m s PRO 121 Ca 0.27 0.21 -0.01 0.00 0.04 0.00 0.00 61.00 61.51 1c3m s PRO 121 Cb -0.06 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1c3m s PRO 121 CO -0.13 0.13 -0.12 -0.51 0.04 0.00 0.00 177.00 176.40 1c3m s LEU 122 N -3.60 2.55 0.24 -3.56 1.43 0.14 -4.96 118.68 110.91 1c3m s LEU 122 Ca 0.47 -0.48 0.15 0.00 -1.03 0.00 0.00 54.13 53.24 1c3m s LEU 122 Cb -0.11 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1c3m s LEU 122 CO 0.30 0.03 1.32 0.74 0.23 0.00 0.00 176.35 178.96 1c3m h THR 123 N 5.74 0.77 -2.83 5.49 2.02 -1.98 -3.46 112.91 118.66 1c3m h THR 123 Ca -0.39 -2.15 -0.13 0.00 0.77 0.00 0.00 66.41 64.51 1c3m h THR 123 Cb 1.17 2.33 -0.24 0.00 -1.74 0.00 0.00 68.15 69.67 1c3m h THR 123 CO 0.60 0.44 -0.27 -0.75 0.37 0.00 0.00 175.52 175.91 1c3m s LYS 124 N -2.96 0.46 0.00 6.66 2.47 -1.26 -5.13 119.74 119.98 1c3m s LYS 124 Ca 0.03 0.47 0.00 0.00 -1.56 0.00 0.00 55.97 54.91 1c3m s LYS 124 Cb 0.08 0.22 0.00 0.00 -1.46 0.00 0.00 37.83 36.67 1c3m s LYS 124 CO 0.76 -0.06 0.00 0.41 0.16 0.00 0.00 175.35 176.61 1c3m n GLY 125 N 2.74 -1.61 3.21 5.54 0.00 -1.26 -4.98 105.19 108.83 1c3m n GLY 125 Ca -0.14 -2.22 -0.09 0.00 0.00 0.00 0.00 46.02 43.57 1c3m n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3m s LYS 126 N -0.87 0.90 -0.43 1.61 1.02 0.11 -4.97 119.74 117.11 1c3m s LYS 126 Ca 0.00 -1.16 -0.23 0.00 0.02 0.00 0.00 55.97 54.60 1c3m s LYS 126 Cb 0.00 0.31 0.02 0.00 -0.52 0.00 0.00 37.83 37.64 1c3m s LYS 126 CO 0.00 -0.28 0.76 -0.06 -0.92 0.00 0.00 175.35 174.85 1c3m s PHE 127 N -3.94 3.03 -0.32 3.18 0.40 -1.26 -0.83 117.98 118.24 1c3m s PHE 127 Ca 0.12 0.22 0.25 0.00 -0.60 0.00 0.00 56.93 56.93 1c3m s PHE 127 Cb 0.06 -3.55 0.56 0.00 0.51 0.00 0.00 43.02 40.60 1c3m s PHE 127 CO -0.05 -0.90 1.69 0.00 0.70 0.00 0.00 175.22 176.65 1c3m h ALA 128 N 8.84 1.00 0.00 5.36 0.00 -0.70 -3.46 119.26 130.30 1c3m h ALA 128 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1c3m h ALA 128 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1c3m h ALA 128 CO 0.94 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.60 1c3m n GLY 129 N 0.87 -0.60 3.23 0.00 0.00 -1.05 -1.78 105.19 105.87 1c3m n GLY 129 Ca 0.03 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 1c3m n GLY 129 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c3m s PHE 130 N -3.43 0.58 0.28 1.61 0.08 -0.32 -1.39 117.98 115.39 1c3m s PHE 130 Ca 0.00 -0.97 -0.12 0.00 0.12 0.00 0.00 56.93 55.96 1c3m s PHE 130 Cb 0.00 -0.26 0.01 0.00 -0.57 0.00 0.00 43.02 42.20 1c3m s PHE 130 CO 0.00 -0.60 0.53 -0.59 -0.10 0.00 0.00 175.22 174.47 1c3m s PHE 131 N -3.99 0.43 -4.73 0.36 -0.12 -0.96 -0.61 117.98 108.36 1c3m s PHE 131 Ca 0.18 -0.81 0.00 0.00 -0.05 0.00 0.00 56.93 56.25 1c3m s PHE 131 Cb 0.06 0.25 0.00 0.00 -0.63 0.00 0.00 43.02 42.70 1c3m s PHE 131 CO -0.01 -1.11 0.00 0.41 -0.05 0.00 0.00 175.22 174.46 1c3m n GLY 132 N -0.44 -0.50 3.19 1.99 0.00 -0.67 -0.25 105.19 108.51 1c3m n GLY 132 Ca -0.02 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 1c3m n GLY 132 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1c3m s ASN 133 N -4.00 2.00 0.08 1.61 -0.87 -1.00 -0.23 114.94 112.53 1c3m s ASN 133 Ca 0.00 -0.48 -0.17 0.00 -1.57 0.00 0.00 52.86 50.65 1c3m s ASN 133 Cb 0.00 -0.15 0.03 0.00 -0.02 0.00 0.00 41.25 41.11 1c3m s ASN 133 CO 0.00 0.09 0.39 -0.94 -2.57 0.00 0.00 177.10 174.08 1c3m s SER 134 N -1.12 -0.24 0.00 -1.22 1.04 -0.22 -1.75 113.70 110.19 1c3m s SER 134 Ca 0.04 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1c3m s SER 134 Cb -0.08 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1c3m s SER 134 CO 0.01 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1c3m n GLY 135 N 0.20 2.13 0.18 7.32 0.00 -1.26 -1.08 105.19 112.69 1c3m n GLY 135 Ca -0.17 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 1c3m n GLY 135 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1c3m h ASP 136 N 0.00 0.65 -3.31 1.61 3.45 -1.95 -3.16 116.42 113.72 1c3m h ASP 136 Ca 0.00 -0.49 -0.18 0.00 0.43 0.00 0.00 57.03 56.80 1c3m h ASP 136 Cb 0.00 -0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 38.54 1c3m h ASP 136 CO 0.00 1.27 -0.14 1.33 -1.57 0.00 0.00 179.24 180.13 1c3m n VAL 137 N -3.81 0.00 -2.92 -1.35 0.24 -1.26 -0.21 118.33 109.01 1c3m n VAL 137 Ca -0.07 -0.73 -0.43 0.00 -2.04 0.00 0.00 64.34 61.07 1c3m n VAL 137 Cb 0.80 0.23 -0.04 0.00 -1.47 0.00 0.00 33.84 33.37 1c3m n VAL 137 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1c3m s LEU 138 N 0.00 4.60 0.16 1.34 2.96 -0.45 -4.39 118.68 122.89 1c3m s LEU 138 Ca 0.05 -1.04 -0.11 0.00 -0.22 0.00 0.00 54.13 52.81 1c3m s LEU 138 Cb 0.00 -2.42 0.02 0.00 0.50 0.00 0.00 46.19 44.29 1c3m s LEU 138 CO 0.03 -1.33 1.59 0.44 -1.32 0.00 0.00 176.35 175.76 1c3m h ASP 139 N 9.44 0.94 -5.02 3.68 3.32 -1.66 -0.90 116.42 126.23 1c3m h ASP 139 Ca -0.29 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.42 1c3m h ASP 139 Cb 1.08 -0.25 -0.11 0.00 0.22 0.00 0.00 39.33 40.26 1c3m h ASP 139 CO 1.15 1.04 0.17 -0.94 -1.72 0.00 0.00 179.24 178.94 1c3m s SER 140 N -6.49 -0.47 -0.04 6.45 1.04 -1.08 -0.50 113.70 112.62 1c3m s SER 140 Ca -0.12 -0.15 -0.18 0.00 0.48 0.00 0.00 55.95 55.98 1c3m s SER 140 Cb 0.12 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.88 1c3m s SER 140 CO 0.84 -1.01 0.39 -0.51 0.98 0.00 0.00 173.24 173.93 1c3m s ILE 141 N -3.79 0.04 0.36 -1.02 2.07 -0.87 -2.38 121.20 115.60 1c3m s ILE 141 Ca 0.03 -0.33 -0.01 0.00 -1.41 0.00 0.00 60.65 58.94 1c3m s ILE 141 Cb -0.01 -0.68 0.00 0.00 0.13 0.00 0.00 42.46 41.90 1c3m s ILE 141 CO -0.09 -0.18 0.47 -0.83 -1.91 0.00 0.00 174.94 172.40 1c3m s GLY 142 N -1.11 1.65 0.07 1.50 0.00 0.66 -0.95 107.32 109.13 1c3m s GLY 142 Ca -0.11 -1.61 0.07 0.00 0.00 0.00 0.00 44.72 43.06 1c3m s GLY 142 CO 0.05 -1.05 -0.13 -0.32 0.00 0.00 0.00 173.10 171.64 1c3m s GLY 143 N -3.27 1.71 -0.40 0.20 0.00 -0.25 -2.26 107.32 103.05 1c3m s GLY 143 Ca 0.32 -1.21 -0.09 0.00 0.00 0.00 0.00 44.72 43.74 1c3m s GLY 143 CO 0.22 -1.14 0.22 0.14 0.00 0.00 0.00 173.10 172.54 1c3m s VAL 144 N -1.08 4.19 -0.02 1.40 1.01 -0.49 -1.18 120.40 124.22 1c3m s VAL 144 Ca 0.18 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1c3m s VAL 144 Cb -0.11 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1c3m s VAL 144 CO 0.10 -0.40 -0.02 0.68 0.00 0.00 0.00 175.10 175.46 1c3m s VAL 145 N 1.44 4.05 0.13 2.92 -7.23 -0.76 0.07 120.40 121.02 1c3m s VAL 145 Ca 0.02 -0.54 0.01 0.00 -1.81 0.00 0.00 61.98 59.66 1c3m s VAL 145 Cb -0.22 -2.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1c3m s VAL 145 CO 0.03 0.45 -0.01 0.68 -0.31 0.00 0.00 175.10 175.94 1c3m s VAL 146 N -1.00 0.55 -1.74 1.32 -7.23 -0.01 -4.21 120.40 108.08 1c3m s VAL 146 Ca 0.17 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 1c3m s VAL 146 Cb -0.11 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 34.91 1c3m s VAL 146 CO 0.07 -0.65 0.43 -2.65 -0.31 0.00 0.00 175.10 172.00