#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hnn n LYS 5 N 0.00 0.53 -1.87 -1.46 4.81 -1.26 -4.90 118.16 114.01 3hnn n LYS 5 Ca 0.00 0.21 -0.32 0.00 -0.87 0.00 0.00 58.31 57.34 3hnn n LYS 5 Cb 0.00 -1.38 0.02 0.00 0.02 0.00 0.00 35.03 33.69 3hnn n LYS 5 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3hnn s PRO 6 N -2.45 3.29 0.51 1.64 0.04 -1.26 -4.64 135.00 132.13 3hnn s PRO 6 Ca -0.34 1.00 -0.22 0.00 0.04 0.00 0.00 61.00 61.48 3hnn s PRO 6 Cb 0.12 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 3hnn s PRO 6 CO 0.45 -0.82 1.26 1.03 0.04 0.00 0.00 177.00 178.96 3hnn s ARG 7 N -4.64 3.41 0.35 4.56 0.52 -1.26 -4.84 118.95 117.05 3hnn s ARG 7 Ca 0.59 1.99 -0.07 0.00 -0.52 0.00 0.00 55.73 57.72 3hnn s ARG 7 Cb -0.14 -2.30 0.02 0.00 0.52 0.00 0.00 34.95 33.05 3hnn s ARG 7 CO 0.46 -0.90 0.57 0.16 0.02 0.00 0.00 175.30 175.61 3hnn s ASP 8 N -1.19 0.56 -0.09 0.23 1.47 -1.09 -4.98 116.67 111.57 3hnn s ASP 8 Ca 0.68 -1.33 0.02 0.00 1.18 0.00 0.00 52.55 53.10 3hnn s ASP 8 Cb -0.34 0.71 0.01 0.00 -0.34 0.00 0.00 42.92 42.96 3hnn s ASP 8 CO 0.41 -1.40 -0.14 -0.69 0.68 0.00 0.00 175.17 174.03 3hnn s VAL 9 N -2.94 1.35 -0.26 2.11 1.01 -1.26 0.04 120.40 120.46 3hnn s VAL 9 Ca 0.25 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 3hnn s VAL 9 Cb -0.02 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3hnn s VAL 9 CO 0.17 0.41 0.13 -1.58 0.00 0.00 0.00 175.10 174.23 3hnn s GLN 10 N 0.94 3.80 -0.17 2.72 0.74 -0.25 -4.90 119.66 122.54 3hnn s GLN 10 Ca -0.08 -0.40 -0.03 0.00 0.05 0.00 0.00 55.36 54.90 3hnn s GLN 10 Cb -0.15 -3.49 -0.02 0.00 1.10 0.00 0.00 33.01 30.45 3hnn s GLN 10 CO -0.00 -0.18 -0.06 0.08 -0.55 0.00 0.00 175.29 174.58 3hnn s VAL 11 N 1.68 3.58 -0.10 1.34 1.01 -1.26 -0.82 120.40 125.83 3hnn s VAL 11 Ca 0.07 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 3hnn s VAL 11 Cb -0.16 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.68 3hnn s VAL 11 CO 0.07 0.48 0.24 -0.22 0.00 0.00 0.00 175.10 175.67 3hnn s LEU 12 N 0.67 0.86 0.36 3.92 2.96 -0.55 -5.01 118.68 121.90 3hnn s LEU 12 Ca -0.03 0.50 -0.27 0.00 -0.22 0.00 0.00 54.13 54.10 3hnn s LEU 12 Cb -0.15 0.80 -0.10 0.00 0.50 0.00 0.00 46.19 47.24 3hnn s LEU 12 CO 0.02 -0.11 1.30 -2.84 -1.32 0.00 0.00 176.35 173.40 3hnn s PRO 13 N 0.50 4.19 0.00 0.98 0.02 -1.26 -0.80 135.00 138.62 3hnn s PRO 13 Ca -0.03 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3hnn s PRO 13 Cb -0.04 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.55 3hnn s PRO 13 CO -0.03 -0.31 0.00 0.44 -0.33 0.00 0.00 177.00 176.77 3hnn n ILE 14 N 0.50 0.00 -3.82 2.83 -5.35 -0.19 -4.89 119.36 108.44 3hnn n ILE 14 Ca 0.02 -0.10 -0.03 0.00 -0.27 0.00 0.00 62.75 62.36 3hnn n ILE 14 Cb 0.43 0.57 0.01 0.00 -1.74 0.00 0.00 39.64 38.91 3hnn n ILE 14 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hnn s ALA 15 N -0.74 -1.65 -0.06 -1.28 0.00 -1.18 -5.03 121.76 111.82 3hnn s ALA 15 Ca 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 51.96 51.48 3hnn s ALA 15 Cb 0.00 0.70 -0.14 0.00 0.00 0.00 0.00 23.12 23.68 3hnn s ALA 15 CO 0.00 -1.06 1.71 2.41 0.00 0.00 0.00 175.76 178.83 3hnn n THR 16 N -0.61 0.32 -1.73 0.00 -1.04 -1.26 -1.34 114.28 108.62 3hnn n THR 16 Ca -0.04 -0.06 -0.19 0.00 -2.04 0.00 0.00 64.05 61.72 3hnn n THR 16 Cb 0.60 -1.51 -0.06 0.00 -1.82 0.00 0.00 70.33 67.54 3hnn n THR 16 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3hnn n ASN 17 N 5.13 -5.01 -3.95 8.00 5.03 -1.26 -4.91 115.26 118.29 3hnn n ASN 17 Ca 0.22 0.37 -0.22 0.00 0.87 0.00 0.00 54.58 55.82 3hnn n ASN 17 Cb 0.24 -4.41 -0.16 0.00 -1.02 0.00 0.00 39.78 34.42 3hnn n ASN 17 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3hnn s THR 18 N -2.65 0.81 0.11 3.41 2.01 -0.45 -0.90 115.64 117.98 3hnn s THR 18 Ca 0.00 -0.29 0.08 0.00 0.31 0.00 0.00 61.69 61.79 3hnn s THR 18 Cb 0.00 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 3hnn s THR 18 CO 0.00 0.28 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.49 3hnn s LYS 19 N 0.79 1.11 -0.07 4.92 1.02 -0.57 -1.02 119.74 125.90 3hnn s LYS 19 Ca -0.13 -1.20 -0.01 0.00 0.02 0.00 0.00 55.97 54.65 3hnn s LYS 19 Cb -0.15 -1.25 -0.03 0.00 -0.52 0.00 0.00 37.83 35.88 3hnn s LYS 19 CO 0.02 0.27 -0.01 0.54 -0.92 0.00 0.00 175.35 175.26 3hnn s VAL 20 N -1.49 4.21 -0.27 3.17 0.11 0.01 -1.17 120.40 124.98 3hnn s VAL 20 Ca 0.08 -0.33 -0.01 0.00 -2.93 0.00 0.00 61.98 58.79 3hnn s VAL 20 Cb -0.08 -2.78 0.04 0.00 -1.53 0.00 0.00 36.38 32.03 3hnn s VAL 20 CO 0.04 0.57 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.57 3hnn s LEU 21 N -0.97 3.45 -0.41 2.54 1.02 0.19 -1.49 118.68 123.02 3hnn s LEU 21 Ca 0.14 -1.11 -0.11 0.00 0.02 0.00 0.00 54.13 53.07 3hnn s LEU 21 Cb -0.11 -1.65 0.05 0.00 0.02 0.00 0.00 46.19 44.50 3hnn s LEU 21 CO 0.03 -0.18 0.26 -0.13 0.02 0.00 0.00 176.35 176.35 3hnn s ARG 22 N 1.25 2.78 -0.16 1.70 0.52 0.00 -0.86 118.95 124.19 3hnn s ARG 22 Ca -0.03 -1.24 -0.29 0.00 -0.52 0.00 0.00 55.73 53.64 3hnn s ARG 22 Cb -0.18 -3.82 -0.01 0.00 0.52 0.00 0.00 34.95 31.45 3hnn s ARG 22 CO -0.04 -0.84 1.17 0.00 0.02 0.00 0.00 175.30 175.62 3hnn s ALA 23 N 1.53 3.63 -0.01 2.13 0.00 0.32 -1.09 121.76 128.27 3hnn s ALA 23 Ca 0.03 0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.41 3hnn s ALA 23 Cb -0.21 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 3hnn s ALA 23 CO 0.05 -1.04 -0.07 1.03 0.00 0.00 0.00 175.76 175.73 3hnn s ARG 24 N 3.12 2.56 -0.04 0.00 0.52 0.11 -0.46 118.95 124.76 3hnn s ARG 24 Ca 0.51 -0.71 -0.01 0.00 -0.52 0.00 0.00 55.73 55.00 3hnn s ARG 24 Cb -0.20 -2.50 0.03 0.00 0.52 0.00 0.00 34.95 32.80 3hnn s ARG 24 CO 0.13 0.61 0.07 0.45 0.02 0.00 0.00 175.30 176.58 3hnn s SER 25 N -1.33 0.26 0.25 0.23 0.15 -0.37 -2.68 113.70 110.21 3hnn s SER 25 Ca 0.16 0.12 0.25 0.00 0.70 0.00 0.00 55.95 57.18 3hnn s SER 25 Cb -0.11 -0.00 0.58 0.00 -1.71 0.00 0.00 66.02 64.78 3hnn s SER 25 CO 0.07 -0.16 1.63 -0.50 1.20 0.00 0.00 173.24 175.47 3hnn h TRP 26 N 7.56 0.00 -1.52 3.44 4.06 -1.83 0.01 115.95 127.67 3hnn h TRP 26 Ca -0.37 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 59.97 3hnn h TRP 26 Cb 1.12 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 29.17 3hnn h TRP 26 CO 0.48 0.00 -0.55 -1.54 -3.56 0.00 0.00 178.44 173.27 3hnn s SER 27 N -4.94 4.12 0.54 -3.49 1.04 -1.26 -3.35 113.70 106.36 3hnn s SER 27 Ca 0.09 -1.28 -0.21 0.00 0.48 0.00 0.00 55.95 55.03 3hnn s SER 27 Cb 0.11 -0.35 -0.06 0.00 0.10 0.00 0.00 66.02 65.82 3hnn s SER 27 CO 0.64 -0.53 1.20 -2.11 0.98 0.00 0.00 173.24 173.43 3hnn n ARG 28 N -1.11 1.42 0.06 4.02 0.00 -1.26 -4.48 116.66 115.31 3hnn n ARG 28 Ca -0.04 0.53 0.03 0.00 -0.00 0.00 0.00 57.85 58.37 3hnn n ARG 28 Cb 0.66 -2.39 -0.05 0.00 -0.00 0.00 0.00 32.46 30.68 3hnn n ARG 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3hnn h LEU 29 N 1.19 0.00 -7.70 2.89 5.85 -1.96 -3.48 115.31 112.11 3hnn h LEU 29 Ca -0.49 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.12 3hnn h LEU 29 Cb 1.33 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 42.19 3hnn h LEU 29 CO 0.55 0.40 -0.35 -0.13 -0.34 0.00 0.00 178.44 178.57 3hnn s ARG 30 N -3.05 0.74 -1.32 1.25 1.81 -1.26 -5.06 118.95 112.06 3hnn s ARG 30 Ca -0.02 -0.63 -0.12 0.00 -1.72 0.00 0.00 55.73 53.24 3hnn s ARG 30 Cb 0.09 0.31 0.13 0.00 -0.45 0.00 0.00 34.95 35.02 3hnn s ARG 30 CO 0.80 -0.22 1.88 1.19 -0.68 0.00 0.00 175.30 178.27 3hnn n PHE 31 N 0.58 3.60 -4.14 -0.53 3.72 -1.26 -4.81 117.46 114.62 3hnn n PHE 31 Ca -0.18 -2.94 -0.09 0.00 -0.05 0.00 0.00 57.45 54.19 3hnn n PHE 31 Cb 0.59 -2.21 -0.10 0.00 -0.94 0.00 0.00 39.48 36.82 3hnn n PHE 31 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3hnn s GLU 32 N 1.66 0.76 0.50 -1.08 0.41 -1.26 -5.05 118.70 114.64 3hnn s GLU 32 Ca 0.43 -1.31 0.23 0.00 -0.41 0.00 0.00 54.97 53.91 3hnn s GLU 32 Cb 0.08 0.02 1.31 0.00 -1.78 0.00 0.00 34.13 33.76 3hnn s GLU 32 CO -0.01 -0.09 1.98 -0.84 -0.49 0.00 0.00 175.26 175.81 3hnn h ILE 33 N 3.02 0.76 -1.00 -1.63 3.07 -2.01 -2.17 117.51 117.56 3hnn h ILE 33 Ca -0.35 -0.04 0.26 0.00 1.55 0.00 0.00 64.86 66.29 3hnn h ILE 33 Cb 1.16 0.64 -0.07 0.00 -0.27 0.00 0.00 36.82 38.29 3hnn h ILE 33 CO 0.65 0.02 0.68 -0.33 -1.05 0.00 0.00 178.15 178.11 3hnn h GLU 34 N 0.11 0.24 -0.27 0.16 3.07 -1.95 -1.00 114.58 114.93 3hnn h GLU 34 Ca 0.27 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 3hnn h GLU 34 Cb 0.94 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 3hnn h GLU 34 CO -0.03 0.16 0.00 0.66 -1.40 0.00 0.00 179.01 178.40 3hnn n TYR 35 N -4.44 0.34 0.29 4.33 4.01 -0.81 -4.60 117.16 116.28 3hnn n TYR 35 Ca 0.22 -0.21 0.16 0.00 -0.16 0.00 0.00 57.90 57.92 3hnn n TYR 35 Cb 0.91 -0.00 0.75 0.00 -0.31 0.00 0.00 39.34 40.69 3hnn n TYR 35 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hnn h ALA 36 N 3.79 1.00 0.00 -0.72 0.00 -1.27 0.12 119.26 122.18 3hnn h ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hnn h ALA 36 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3hnn h ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3hnn n LEU 37 N -2.65 0.00 -3.77 0.00 4.77 -1.26 -4.94 117.00 109.14 3hnn n LEU 37 Ca -0.01 0.23 -0.23 0.00 -0.03 0.00 0.00 56.01 55.98 3hnn n LEU 37 Cb 0.15 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 3hnn n LEU 37 CO 0.19 -0.03 -0.12 -0.62 -1.33 0.00 0.00 177.39 175.48 3hnn n GLU 38 N -1.23 -4.15 -0.05 3.23 -0.58 0.40 -4.92 120.64 113.34 3hnn n GLU 38 Ca 0.14 0.55 0.03 0.00 -0.42 0.00 0.00 57.16 57.46 3hnn n GLU 38 Cb 0.19 -4.92 0.06 0.00 -0.57 0.00 0.00 31.44 26.20 3hnn n GLU 38 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hnn n ARG 39 N -4.29 2.57 0.00 3.49 1.74 -1.26 -5.03 116.66 113.88 3hnn n ARG 39 Ca -0.29 -1.86 0.00 0.00 -0.77 0.00 0.00 57.85 54.93 3hnn n ARG 39 Cb 0.68 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.94 3hnn n ARG 39 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hnn n GLY 40 N -0.64 -1.79 3.70 -0.13 0.00 -1.21 -0.98 105.19 104.14 3hnn n GLY 40 Ca 0.06 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 3hnn n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hnn s THR 41 N 0.00 0.00 0.10 2.61 -1.32 -0.01 -3.01 115.64 114.01 3hnn s THR 41 Ca 0.00 -0.64 0.06 0.00 -1.21 0.00 0.00 61.69 59.90 3hnn s THR 41 Cb 0.00 -1.65 -0.03 0.00 -1.51 0.00 0.00 72.50 69.31 3hnn s THR 41 CO 0.00 0.00 -0.15 0.42 -2.21 0.00 0.00 174.62 172.68 3hnn s THR 42 N -3.86 1.34 -0.20 5.08 -4.23 -1.26 -1.24 115.64 111.27 3hnn s THR 42 Ca 0.07 -1.54 -0.02 0.00 -1.18 0.00 0.00 61.69 59.02 3hnn s THR 42 Cb -0.04 -1.38 -0.00 0.00 1.34 0.00 0.00 72.50 72.42 3hnn s THR 42 CO -0.00 -0.28 -0.09 -0.55 -0.54 0.00 0.00 174.62 173.16 3hnn s SER 43 N -2.10 3.96 -0.14 3.99 0.15 0.40 -3.60 113.70 116.35 3hnn s SER 43 Ca 0.05 -0.46 -0.04 0.00 0.70 0.00 0.00 55.95 56.19 3hnn s SER 43 Cb -0.08 -1.66 -0.03 0.00 -1.71 0.00 0.00 66.02 62.54 3hnn s SER 43 CO 0.03 -0.00 0.01 0.20 1.20 0.00 0.00 173.24 174.68 3hnn s ASN 44 N 1.36 5.25 0.18 5.45 0.01 0.80 -0.53 114.94 127.46 3hnn s ASN 44 Ca 0.05 0.05 0.09 0.00 -0.71 0.00 0.00 52.86 52.33 3hnn s ASN 44 Cb -0.14 -1.74 -0.04 0.00 0.41 0.00 0.00 41.25 39.74 3hnn s ASN 44 CO -0.05 0.25 -0.18 -0.55 -1.51 0.00 0.00 177.10 175.06 3hnn s SER 45 N -0.10 2.72 0.08 -1.22 0.15 -0.04 -4.72 113.70 110.58 3hnn s SER 45 Ca 0.04 -0.90 0.04 0.00 0.70 0.00 0.00 55.95 55.83 3hnn s SER 45 Cb -0.13 -0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 63.99 3hnn s SER 45 CO 0.02 -0.05 -0.10 -0.31 1.20 0.00 0.00 173.24 173.99 3hnn s TYR 46 N -2.25 1.02 -0.08 3.44 1.51 -0.65 -0.63 117.35 119.71 3hnn s TYR 46 Ca 0.18 -0.61 0.02 0.00 -1.01 0.00 0.00 57.07 55.64 3hnn s TYR 46 Cb -0.05 -0.57 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 3hnn s TYR 46 CO 0.07 -0.01 -0.12 0.08 -1.11 0.00 0.00 175.55 174.46 3hnn s VAL 47 N -2.15 1.18 -0.16 0.71 1.01 -0.32 -0.28 120.40 120.40 3hnn s VAL 47 Ca 0.02 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 3hnn s VAL 47 Cb -0.05 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 3hnn s VAL 47 CO 0.00 0.37 -0.13 -0.63 0.00 0.00 0.00 175.10 174.71 3hnn s ILE 48 N 0.88 2.86 -0.46 2.22 1.01 0.29 -1.52 121.20 126.48 3hnn s ILE 48 Ca -0.10 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 3hnn s ILE 48 Cb -0.15 -2.22 0.12 0.00 0.01 0.00 0.00 42.46 40.22 3hnn s ILE 48 CO 0.01 0.51 0.25 -1.61 0.00 0.00 0.00 174.94 174.10 3hnn s GLU 49 N 0.75 2.09 0.00 2.79 2.02 -0.08 -1.32 118.70 124.95 3hnn s GLU 49 Ca -0.06 -2.06 0.00 0.00 0.02 0.00 0.00 54.97 52.87 3hnn s GLU 49 Cb -0.15 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.51 3hnn s GLU 49 CO 0.01 -1.09 0.00 0.41 0.02 0.00 0.00 175.26 174.61 3hnn n GLY 50 N 4.17 1.38 0.19 -1.39 0.00 -1.26 -4.78 105.19 103.51 3hnn n GLY 50 Ca 0.01 -1.10 0.04 0.00 0.00 0.00 0.00 46.02 44.98 3hnn n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hnn h ASP 51 N 0.00 0.00 -2.73 1.61 3.32 0.22 -3.44 116.42 115.40 3hnn h ASP 51 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 3hnn h ASP 51 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 3hnn h ASP 51 CO 0.00 0.38 -0.75 -0.54 -1.72 0.00 0.00 179.24 176.61 3hnn s LYS 52 N -3.86 1.86 -0.11 3.56 1.02 0.01 -5.02 119.74 117.19 3hnn s LYS 52 Ca -0.01 -1.49 -0.00 0.00 0.02 0.00 0.00 55.97 54.49 3hnn s LYS 52 Cb 0.13 -1.98 -0.02 0.00 -0.52 0.00 0.00 37.83 35.44 3hnn s LYS 52 CO 0.70 0.39 -0.10 0.99 -0.92 0.00 0.00 175.35 176.40 3hnn s THR 53 N -1.99 3.33 -0.01 2.17 2.01 -1.26 -4.47 115.64 115.41 3hnn s THR 53 Ca 0.26 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.74 3hnn s THR 53 Cb -0.07 -2.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 3hnn s THR 53 CO 0.14 0.54 -0.20 0.00 -0.69 0.00 0.00 174.62 174.42 3hnn s ALA 54 N -0.03 1.64 0.02 7.40 0.00 -0.44 -1.43 121.76 128.93 3hnn s ALA 54 Ca -0.02 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.12 3hnn s ALA 54 Cb -0.14 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 3hnn s ALA 54 CO 0.04 0.40 -0.05 0.96 0.00 0.00 0.00 175.76 177.11 3hnn s ILE 55 N -0.47 3.79 -0.17 0.00 -4.36 -0.36 -0.55 121.20 119.08 3hnn s ILE 55 Ca 0.08 -0.80 0.01 0.00 -0.26 0.00 0.00 60.65 59.68 3hnn s ILE 55 Cb -0.08 -2.69 0.02 0.00 1.25 0.00 0.00 42.46 40.97 3hnn s ILE 55 CO -0.01 0.34 -0.18 -0.63 0.24 0.00 0.00 174.94 174.69 3hnn s ILE 56 N -1.07 1.93 -0.50 8.37 1.01 0.61 -0.81 121.20 130.74 3hnn s ILE 56 Ca 0.19 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 3hnn s ILE 56 Cb -0.11 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.60 3hnn s ILE 56 CO 0.10 0.52 0.51 0.47 0.00 0.00 0.00 174.94 176.53 3hnn n ASP 57 N 4.66 -6.41 -4.77 3.58 8.00 -0.18 -1.64 116.55 119.79 3hnn n ASP 57 Ca -0.20 0.07 -0.41 0.00 0.71 0.00 0.00 54.79 54.96 3hnn n ASP 57 Cb 0.50 -4.28 -0.01 0.00 -0.02 0.00 0.00 41.12 37.31 3hnn n ASP 57 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3hnn s PRO 58 N -2.79 4.16 1.01 -0.24 0.02 -1.26 -4.38 135.00 131.51 3hnn s PRO 58 Ca 0.05 2.51 -0.14 0.00 0.02 0.00 0.00 61.00 63.43 3hnn s PRO 58 Cb -0.01 -3.01 0.19 0.00 0.02 0.00 0.00 34.50 31.69 3hnn s PRO 58 CO 0.57 -0.51 1.15 -1.25 -0.33 0.00 0.00 177.00 176.62 3hnn s PRO 59 N -1.41 0.35 0.93 5.54 0.04 -1.26 -5.00 135.00 134.19 3hnn s PRO 59 Ca 0.56 0.15 -0.11 0.00 0.04 0.00 0.00 61.00 61.64 3hnn s PRO 59 Cb -0.46 -1.76 0.15 0.00 0.04 0.00 0.00 34.50 32.48 3hnn s PRO 59 CO 0.55 -2.71 1.11 0.14 0.04 0.00 0.00 177.00 176.13 3hnn s VAL 60 N -3.23 2.39 0.41 -0.36 -7.23 -1.26 -4.71 120.40 106.40 3hnn s VAL 60 Ca 0.67 0.13 0.20 0.00 -1.81 0.00 0.00 61.98 61.17 3hnn s VAL 60 Cb -0.13 -2.32 0.40 0.00 0.56 0.00 0.00 36.38 34.90 3hnn s VAL 60 CO 0.55 -0.17 1.76 1.05 -0.31 0.00 0.00 175.10 177.99 3hnn h GLU 61 N -1.82 0.34 0.00 4.82 4.11 -1.50 -0.87 114.58 119.66 3hnn h GLU 61 Ca -0.48 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 58.93 3hnn h GLU 61 Cb 1.28 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 3hnn h GLU 61 CO 0.47 0.23 -0.02 0.66 0.07 0.00 0.00 179.01 180.42 3hnn h SER 62 N 0.35 0.00 -2.77 3.06 4.64 -1.91 -3.40 113.55 113.53 3hnn h SER 62 Ca 0.60 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 61.20 3hnn h SER 62 Cb 1.60 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 63.36 3hnn h SER 62 CO -0.29 0.02 0.21 0.49 -0.87 0.00 0.00 176.83 176.40 3hnn n PHE 63 N -3.33 3.12 0.00 4.77 3.72 -0.33 -4.93 117.46 120.47 3hnn n PHE 63 Ca -0.02 -3.36 0.00 0.00 -0.05 0.00 0.00 57.45 54.02 3hnn n PHE 63 Cb 0.14 -1.04 0.00 0.00 -0.94 0.00 0.00 39.48 37.64 3hnn n PHE 63 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3hnn n LYS 65 N 1.37 0.00 0.10 -1.08 4.81 -1.26 -1.28 118.16 120.82 3hnn n LYS 65 Ca 0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.67 3hnn n LYS 65 Cb 0.36 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.54 3hnn n LYS 65 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 3hnn h ILE 66 N 0.00 1.43 0.01 3.15 3.07 -1.96 -2.61 117.51 120.61 3hnn h ILE 66 Ca 0.00 -2.12 -0.00 0.00 1.55 0.00 0.00 64.86 64.29 3hnn h ILE 66 Cb 0.00 2.11 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 3hnn h ILE 66 CO 0.00 0.62 -0.01 0.22 -1.05 0.00 0.00 178.15 177.93 3hnn h TYR 67 N 0.10 -0.02 -0.59 0.16 3.20 -1.59 -1.56 116.97 116.67 3hnn h TYR 67 Ca -0.01 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 3hnn h TYR 67 Cb 1.15 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 3hnn h TYR 67 CO 0.01 0.03 0.04 -0.07 -1.64 0.00 0.00 178.16 176.53 3hnn h LEU 68 N -0.06 0.99 -0.49 2.82 3.38 -1.79 0.25 115.31 120.40 3hnn h LEU 68 Ca -0.00 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.74 3hnn h LEU 68 Cb 0.05 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3hnn h LEU 68 CO 0.00 1.03 0.20 -0.33 0.09 0.00 0.00 178.44 179.43 3hnn h GLU 69 N 0.91 0.39 -0.46 1.13 5.08 -1.48 0.11 114.58 120.25 3hnn h GLU 69 Ca 0.17 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3hnn h GLU 69 Cb 0.50 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3hnn h GLU 69 CO 0.02 0.25 0.13 0.00 -1.00 0.00 0.00 179.01 178.42 3hnn h ALA 70 N 1.31 0.61 -0.61 3.43 0.00 -0.72 -2.49 119.26 120.79 3hnn h ALA 70 Ca 0.23 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hnn h ALA 70 Cb 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3hnn h ALA 70 CO -0.21 0.28 0.16 1.25 0.00 0.00 0.00 179.25 180.73 3hnn h LEU 71 N 0.62 0.92 -1.62 0.00 5.85 -0.18 -2.06 115.31 118.84 3hnn h LEU 71 Ca 0.15 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3hnn h LEU 71 Cb 0.30 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3hnn h LEU 71 CO -0.00 0.91 -0.10 1.56 -0.34 0.00 0.00 178.44 180.47 3hnn h GLN 72 N 0.89 0.12 0.00 1.25 4.20 -0.75 -0.36 115.11 120.45 3hnn h GLN 72 Ca 0.19 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 3hnn h GLN 72 Cb 0.34 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3hnn h GLN 72 CO 0.00 0.23 -0.38 1.96 -0.67 0.00 0.00 178.83 179.97 3hnn h GLN 73 N 0.12 0.00 0.00 1.46 1.08 -0.91 -3.37 115.11 113.49 3hnn h GLN 73 Ca 0.03 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.99 3hnn h GLN 73 Cb 0.25 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 3hnn h GLN 73 CO 0.01 0.38 -2.02 0.25 -0.95 0.00 0.00 178.83 176.51 3hnn n THR 74 N -3.71 0.88 -4.20 -0.54 -2.24 -0.88 -5.01 114.28 98.58 3hnn n THR 74 Ca -0.01 -0.61 -0.17 0.00 -2.27 0.00 0.00 64.05 60.99 3hnn n THR 74 Cb 0.47 -0.46 -0.11 0.00 -2.10 0.00 0.00 70.33 68.13 3hnn n THR 74 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3hnn s VAL 75 N -2.52 1.14 -0.39 2.28 -7.23 -0.20 -5.10 120.40 108.37 3hnn s VAL 75 Ca -0.07 -1.59 -0.25 0.00 -1.81 0.00 0.00 61.98 58.26 3hnn s VAL 75 Cb 0.06 -1.35 0.02 0.00 0.56 0.00 0.00 36.38 35.66 3hnn s VAL 75 CO 0.65 -0.42 0.90 0.21 -0.31 0.00 0.00 175.10 176.13 3hnn s ASN 76 N -2.27 6.60 0.59 4.85 2.47 -1.26 -4.40 114.94 121.52 3hnn s ASN 76 Ca 0.05 0.40 0.33 0.00 0.42 0.00 0.00 52.86 54.06 3hnn s ASN 76 Cb -0.05 -2.45 1.88 0.00 -1.45 0.00 0.00 41.25 39.17 3hnn s ASN 76 CO 0.02 -0.89 2.24 -0.07 -3.72 0.00 0.00 177.10 174.68 3hnn h LEU 77 N 10.16 0.00 -0.80 3.21 3.38 -1.90 0.08 115.31 129.44 3hnn h LEU 77 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3hnn h LEU 77 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3hnn h LEU 77 CO 0.98 0.03 0.00 0.11 0.09 0.00 0.00 178.44 179.65 3hnn h LYS 78 N 0.00 0.00 -0.40 1.13 1.79 -1.92 -2.78 116.57 114.39 3hnn h LYS 78 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3hnn h LYS 78 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3hnn h LYS 78 CO 0.00 0.00 0.00 0.36 -1.08 0.00 0.00 179.45 178.73 3hnn n LYS 79 N -2.46 3.52 -2.62 3.15 2.85 0.01 -4.96 118.16 117.65 3hnn n LYS 79 Ca 0.02 -2.84 -0.42 0.00 -1.05 0.00 0.00 58.31 54.02 3hnn n LYS 79 Cb 0.27 -1.89 -0.03 0.00 -0.65 0.00 0.00 35.03 32.74 3hnn n LYS 79 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3hnn s LEU 80 N -2.45 4.29 -0.26 -5.58 0.20 -1.05 -4.20 118.68 109.62 3hnn s LEU 80 Ca 0.44 1.66 -0.08 0.00 0.69 0.00 0.00 54.13 56.84 3hnn s LEU 80 Cb 0.33 -3.56 -0.13 0.00 -0.43 0.00 0.00 46.19 42.40 3hnn s LEU 80 CO 0.14 -0.45 -0.30 0.47 -0.29 0.00 0.00 176.35 175.92 3hnn n ASP 81 N 4.76 1.95 -4.04 3.68 8.00 -0.52 -4.47 116.55 125.92 3hnn n ASP 81 Ca 0.09 0.15 -0.17 0.00 0.71 0.00 0.00 54.79 55.58 3hnn n ASP 81 Cb 0.48 -0.64 -0.13 0.00 -0.02 0.00 0.00 41.12 40.81 3hnn n ASP 81 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hnn s TYR 82 N -2.49 0.75 -0.23 1.24 2.02 -0.89 -1.43 117.35 116.31 3hnn s TYR 82 Ca -0.36 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.10 3hnn s TYR 82 Cb 0.12 -0.46 0.05 0.00 -0.40 0.00 0.00 41.96 41.27 3hnn s TYR 82 CO 0.51 -0.02 -0.13 0.08 -1.57 0.00 0.00 175.55 174.42 3hnn s VAL 83 N -0.61 2.08 -0.19 0.71 1.01 -0.29 -1.22 120.40 121.89 3hnn s VAL 83 Ca -0.01 -1.40 -0.14 0.00 0.00 0.00 0.00 61.98 60.44 3hnn s VAL 83 Cb -0.06 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 3hnn s VAL 83 CO 0.00 0.13 0.29 -0.63 0.00 0.00 0.00 175.10 174.89 3hnn s ILE 84 N 1.18 5.29 -0.22 2.22 1.01 0.01 -0.30 121.20 130.39 3hnn s ILE 84 Ca -0.05 0.51 -0.08 0.00 0.00 0.00 0.00 60.65 61.02 3hnn s ILE 84 Cb -0.18 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 3hnn s ILE 84 CO -0.07 0.34 0.10 -0.76 0.00 0.00 0.00 174.94 174.55 3hnn s LEU 85 N 0.81 3.79 0.45 2.97 1.43 -0.03 -1.01 118.68 127.09 3hnn s LEU 85 Ca 0.15 -0.00 0.25 0.00 -1.03 0.00 0.00 54.13 53.50 3hnn s LEU 85 Cb -0.13 -2.00 0.58 0.00 0.03 0.00 0.00 46.19 44.67 3hnn s LEU 85 CO 0.05 0.07 1.69 1.23 0.23 0.00 0.00 176.35 179.62 3hnn h GLY 86 N 7.45 0.00 -1.58 -3.19 0.00 -1.89 -3.41 103.07 100.45 3hnn h GLY 86 Ca -0.37 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.07 3hnn h GLY 86 CO 0.64 0.00 0.47 -2.38 0.00 0.00 0.00 176.54 175.28 3hnn s HIS 87 N -3.32 0.04 -0.10 5.60 0.00 -1.26 -0.78 115.29 115.47 3hnn s HIS 87 Ca 0.05 -0.50 0.02 0.00 -3.00 0.00 0.00 55.06 51.64 3hnn s HIS 87 Cb 0.06 0.73 -0.01 0.00 -4.00 0.00 0.00 32.58 29.36 3hnn s HIS 87 CO 0.65 -1.09 -0.19 0.12 -1.00 0.00 0.00 174.74 173.23 3hnn s PHE 88 N -2.47 2.66 -0.03 0.38 2.19 -1.26 -5.02 117.98 114.44 3hnn s PHE 88 Ca 0.18 -0.78 -0.02 0.00 0.33 0.00 0.00 56.93 56.65 3hnn s PHE 88 Cb -0.03 -1.75 0.02 0.00 -1.31 0.00 0.00 43.02 39.95 3hnn s PHE 88 CO 0.06 -0.27 0.06 -1.12 1.83 0.00 0.00 175.22 175.79 3hnn s SER 89 N 0.22 -0.04 0.59 6.13 0.01 -1.26 -5.02 113.70 114.33 3hnn s SER 89 Ca -0.12 0.13 0.30 0.00 1.31 0.00 0.00 55.95 57.56 3hnn s SER 89 Cb -0.16 0.08 1.72 0.00 0.21 0.00 0.00 66.02 67.87 3hnn s SER 89 CO 0.06 -0.07 2.14 1.55 0.41 0.00 0.00 173.24 177.34 3hnn h PRO 90 N 6.55 0.00 0.00 12.44 0.13 -2.01 -1.95 132.00 147.16 3hnn h PRO 90 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3hnn h PRO 90 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hnn h PRO 90 CO 0.47 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.51 3hnn n ASN 91 N -3.76 0.00 -0.00 1.44 2.04 -1.26 -1.78 115.26 111.94 3hnn n ASN 91 Ca 0.00 -1.05 0.10 0.00 -0.44 0.00 0.00 54.58 53.19 3hnn n ASN 91 Cb 0.26 0.00 -0.13 0.00 -2.53 0.00 0.00 39.78 37.38 3hnn n ASN 91 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3hnn n ARG 92 N -0.83 0.52 -0.12 -3.83 1.74 -0.73 -1.26 116.66 112.16 3hnn n ARG 92 Ca 0.12 -0.08 -0.05 0.00 -0.77 0.00 0.00 57.85 57.07 3hnn n ARG 92 Cb 0.06 -1.46 0.02 0.00 -1.02 0.00 0.00 32.46 30.05 3hnn n ARG 92 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3hnn h ILE 93 N 0.00 0.63 -0.90 0.55 2.04 -1.47 -0.40 117.51 117.96 3hnn h ILE 93 Ca 0.00 -0.01 0.18 0.00 1.00 0.00 0.00 64.86 66.03 3hnn h ILE 93 Cb 0.67 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 3hnn h ILE 93 CO 0.00 0.00 0.59 -0.65 0.00 0.00 0.00 178.15 178.09 3hnn h PRO 94 N 0.02 0.53 -0.39 2.37 0.11 -1.82 0.20 132.00 133.03 3hnn h PRO 94 Ca 0.19 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.12 3hnn h PRO 94 Cb 0.28 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 3hnn h PRO 94 CO -0.38 0.35 -0.34 1.15 -0.21 0.00 0.00 178.00 178.57 3hnn h THR 95 N 0.54 1.27 -0.24 -1.15 2.02 -1.40 -2.14 112.91 111.82 3hnn h THR 95 Ca 0.47 -1.50 -0.12 0.00 0.77 0.00 0.00 66.41 66.02 3hnn h THR 95 Cb 0.97 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 3hnn h THR 95 CO -0.21 0.50 -0.37 -0.26 0.37 0.00 0.00 175.52 175.55 3hnn h PHE 96 N 0.74 0.62 -0.16 3.16 0.04 -0.03 -2.10 116.94 119.22 3hnn h PHE 96 Ca 0.07 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 3hnn h PHE 96 Cb 0.91 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.92 3hnn h PHE 96 CO 0.06 0.83 0.08 -0.22 -0.60 0.00 0.00 178.31 178.45 3hnn h LYS 97 N 0.44 0.22 -0.27 1.51 3.64 -0.57 -1.15 116.57 120.40 3hnn h LYS 97 Ca 0.04 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3hnn h LYS 97 Cb 0.85 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 3hnn h LYS 97 CO 0.07 0.27 0.07 0.00 -2.27 0.00 0.00 179.45 177.59 3hnn h ALA 98 N 0.95 0.29 -0.90 5.00 0.00 -1.26 -1.85 119.26 121.49 3hnn h ALA 98 Ca 0.05 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3hnn h ALA 98 Cb 0.12 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3hnn h ALA 98 CO -0.01 -0.34 0.58 -0.07 0.00 0.00 0.00 179.25 179.42 3hnn h LEU 99 N 0.18 0.97 -0.76 0.00 3.38 -1.32 -1.69 115.31 116.07 3hnn h LEU 99 Ca 0.12 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3hnn h LEU 99 Cb 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3hnn h LEU 99 CO -0.15 0.66 0.37 -0.07 0.09 0.00 0.00 178.44 179.34 3hnn h LEU 100 N 1.13 1.00 -0.39 1.67 3.38 -0.75 0.25 115.31 121.60 3hnn h LEU 100 Ca 0.36 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 3hnn h LEU 100 Cb 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3hnn h LEU 100 CO -0.12 0.85 0.02 -0.33 0.09 0.00 0.00 178.44 178.95 3hnn h GLU 101 N 1.07 0.68 0.00 1.13 5.08 -1.05 -1.83 114.58 119.67 3hnn h GLU 101 Ca 0.26 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3hnn h GLU 101 Cb 0.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3hnn h GLU 101 CO -0.03 0.76 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.29 3hnn h LEU 102 N 0.51 0.00 -5.68 1.33 3.38 -1.09 -3.38 115.31 110.38 3hnn h LEU 102 Ca 0.11 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.64 3hnn h LEU 102 Cb 0.45 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.89 3hnn h LEU 102 CO 0.02 0.39 -0.91 0.00 0.09 0.00 0.00 178.44 178.02 3hnn n ALA 103 N -2.28 1.17 0.30 1.53 0.00 0.87 -4.68 120.51 117.43 3hnn n ALA 103 Ca 0.00 -2.75 0.20 0.00 0.00 0.00 0.00 53.44 50.89 3hnn n ALA 103 Cb 0.54 -0.98 1.08 0.00 0.00 0.00 0.00 19.45 20.08 3hnn n ALA 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hnn h PRO 104 N 3.95 0.00 0.00 0.00 0.11 -1.53 -1.58 132.00 132.95 3hnn h PRO 104 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3hnn h PRO 104 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3hnn h PRO 104 CO 0.42 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.21 3hnn n GLN 105 N -2.91 0.79 -2.16 1.05 0.00 -1.26 -4.91 117.38 107.98 3hnn n GLN 105 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 57.00 56.61 3hnn n GLN 105 Cb 0.07 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 28.82 3hnn n GLN 105 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 3hnn s ILE 106 N -2.18 2.91 -0.14 -0.39 -4.36 -0.60 -4.91 121.20 111.54 3hnn s ILE 106 Ca 0.40 0.63 -0.02 0.00 -0.26 0.00 0.00 60.65 61.40 3hnn s ILE 106 Cb 0.21 -3.29 -0.02 0.00 1.25 0.00 0.00 42.46 40.60 3hnn s ILE 106 CO 0.38 -0.06 -0.07 -0.89 0.24 0.00 0.00 174.94 174.54 3hnn s THR 107 N -1.59 3.56 0.05 8.37 2.01 -0.52 -4.38 115.64 123.15 3hnn s THR 107 Ca 0.70 -0.48 -0.24 0.00 0.31 0.00 0.00 61.69 61.98 3hnn s THR 107 Cb -0.29 -2.54 -0.06 0.00 0.01 0.00 0.00 72.50 69.62 3hnn s THR 107 CO 0.34 0.51 0.73 -0.36 -0.69 0.00 0.00 174.62 175.14 3hnn s PHE 108 N 0.34 3.75 -0.17 4.92 0.08 0.48 -1.14 117.98 126.25 3hnn s PHE 108 Ca -0.07 1.43 0.01 0.00 0.12 0.00 0.00 56.93 58.43 3hnn s PHE 108 Cb -0.15 -2.76 0.02 0.00 -0.57 0.00 0.00 43.02 39.56 3hnn s PHE 108 CO 0.04 0.34 -0.19 0.08 -0.10 0.00 0.00 175.22 175.39 3hnn s VAL 109 N -0.29 1.97 0.26 -0.44 1.01 0.59 0.12 120.40 123.62 3hnn s VAL 109 Ca 0.36 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 3hnn s VAL 109 Cb -0.20 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 3hnn s VAL 109 CO 0.22 0.53 0.47 0.00 0.00 0.00 0.00 175.10 176.31 3hnn s SER 111 N -3.06 6.45 0.27 0.00 0.15 -1.26 -4.25 113.70 112.00 3hnn s SER 111 Ca 0.25 1.99 -0.01 0.00 0.70 0.00 0.00 55.95 58.87 3hnn s SER 111 Cb -0.00 -2.57 0.60 0.00 -1.71 0.00 0.00 66.02 62.34 3hnn s SER 111 CO 0.11 -0.71 1.66 0.25 1.20 0.00 0.00 173.24 175.75 3hnn h LEU 112 N 1.88 -0.03 -2.25 3.45 5.85 -1.92 -0.62 115.31 121.68 3hnn h LEU 112 Ca -0.49 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3hnn h LEU 112 Cb 1.22 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.50 3hnn h LEU 112 CO 0.60 -0.12 0.00 -0.65 -0.34 0.00 0.00 178.44 177.93 3hnn h PRO 113 N 0.22 0.00 0.00 5.25 0.11 -1.93 -2.17 132.00 133.48 3hnn h PRO 113 Ca 0.49 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.48 3hnn h PRO 113 Cb 0.94 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3hnn h PRO 113 CO -0.61 0.00 -0.62 0.00 -0.21 0.00 0.00 178.00 176.56 3hnn h ALA 114 N 2.01 0.63 -0.36 -0.75 0.00 -1.45 -3.39 119.26 115.95 3hnn h ALA 114 Ca 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 54.91 54.43 3hnn h ALA 114 Cb 0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3hnn h ALA 114 CO 0.00 0.73 0.03 0.00 0.00 0.00 0.00 179.25 180.00 3hnn h ALA 115 N 1.43 0.35 -0.80 0.00 0.00 -1.46 -0.47 119.26 118.31 3hnn h ALA 115 Ca -0.02 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hnn h ALA 115 Cb 1.45 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 3hnn h ALA 115 CO 0.07 -0.37 0.53 0.78 0.00 0.00 0.00 179.25 180.26 3hnn h GLY 116 N 0.13 1.12 1.00 0.00 0.00 -1.75 -1.01 103.07 102.56 3hnn h GLY 116 Ca 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3hnn h GLY 116 CO -0.27 0.41 0.28 -0.55 0.00 0.00 0.00 176.54 176.41 3hnn h ASP 117 N 1.08 0.52 -0.16 0.19 3.32 -1.57 -2.27 116.42 117.53 3hnn h ASP 117 Ca 0.29 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3hnn h ASP 117 Cb -0.12 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3hnn h ASP 117 CO -0.06 0.40 0.09 -0.07 -1.72 0.00 0.00 179.24 177.87 3hnn h LEU 118 N 0.60 0.21 -0.66 1.55 3.38 -0.57 -2.09 115.31 117.72 3hnn h LEU 118 Ca 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hnn h LEU 118 Cb -0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3hnn h LEU 118 CO -0.03 0.24 0.37 0.03 0.09 0.00 0.00 178.44 179.14 3hnn h ARG 119 N 0.16 0.91 0.00 1.13 3.08 -1.14 -2.57 114.38 115.95 3hnn h ARG 119 Ca 0.06 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3hnn h ARG 119 Cb 0.08 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3hnn h ARG 119 CO -0.01 0.68 -0.20 0.00 -1.07 0.00 0.00 179.97 179.37 3hnn h ALA 120 N 1.19 1.45 0.00 0.04 0.00 -1.27 -2.51 119.26 118.16 3hnn h ALA 120 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hnn h ALA 120 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hnn h ALA 120 CO -0.04 0.25 -0.05 0.00 0.00 0.00 0.00 179.25 179.40 3hnn h ALA 121 N 1.80 0.97 -2.17 0.00 0.00 -0.98 -3.33 119.26 115.55 3hnn h ALA 121 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3hnn h ALA 121 Cb 0.41 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.78 3hnn h ALA 121 CO 0.03 0.00 -0.70 1.19 0.00 0.00 0.00 179.25 179.77 3hnn n PHE 122 N -3.00 3.00 0.10 0.00 3.72 -0.95 -4.93 117.46 115.40 3hnn n PHE 122 Ca 0.04 -4.03 -0.02 0.00 -0.05 0.00 0.00 57.45 53.39 3hnn n PHE 122 Cb 0.52 -0.51 0.23 0.00 -0.94 0.00 0.00 39.48 38.78 3hnn n PHE 122 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hnn h PRO 123 N 3.90 0.21 0.00 -1.08 0.13 -1.66 -2.71 132.00 130.79 3hnn h PRO 123 Ca 0.17 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 3hnn h PRO 123 Cb 0.68 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 3hnn h PRO 123 CO 0.77 0.59 -0.05 -0.44 -0.23 0.00 0.00 178.00 178.64 3hnn h ASP 124 N 0.18 0.00 -2.21 1.44 3.32 -1.92 -3.46 116.42 113.78 3hnn h ASP 124 Ca 0.02 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.57 3hnn h ASP 124 Cb 0.81 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 3hnn h ASP 124 CO 0.06 0.05 -0.51 -1.81 -1.72 0.00 0.00 179.24 175.31 3hnn s ASP 125 N -5.87 5.63 -0.80 6.45 1.01 -1.02 -5.06 116.67 117.00 3hnn s ASP 125 Ca 0.02 -0.20 -0.10 0.00 0.71 0.00 0.00 52.55 52.98 3hnn s ASP 125 Cb 0.09 -1.47 0.21 0.00 1.01 0.00 0.00 42.92 42.76 3hnn s ASP 125 CO 0.58 -0.04 0.71 0.21 0.21 0.00 0.00 175.17 176.84 3hnn s ASN 126 N -3.84 6.35 0.53 0.27 3.84 -1.26 -4.97 114.94 115.85 3hnn s ASN 126 Ca 0.33 -2.88 -0.20 0.00 0.21 0.00 0.00 52.86 50.32 3hnn s ASN 126 Cb -0.08 -2.09 -0.06 0.00 -0.55 0.00 0.00 41.25 38.46 3hnn s ASN 126 CO 0.25 -0.47 1.14 -0.76 -2.79 0.00 0.00 177.10 174.47 3hnn s LEU 127 N -0.12 3.79 -0.38 3.21 1.43 -1.26 -5.00 118.68 120.34 3hnn s LEU 127 Ca 0.19 2.20 -0.21 0.00 -1.03 0.00 0.00 54.13 55.28 3hnn s LEU 127 Cb -0.13 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.58 3hnn s LEU 127 CO -0.08 -1.17 0.65 0.20 0.23 0.00 0.00 176.35 176.19 3hnn s ASN 128 N -1.70 6.40 -0.06 2.29 0.01 -1.26 -5.06 114.94 115.56 3hnn s ASN 128 Ca 0.71 0.01 0.06 0.00 -0.71 0.00 0.00 52.86 52.93 3hnn s ASN 128 Cb -0.25 -2.33 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 3hnn s ASN 128 CO 0.28 -0.67 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.34 3hnn s ILE 129 N 2.79 1.93 -0.47 0.60 1.01 -1.26 -0.38 121.20 125.42 3hnn s ILE 129 Ca 0.25 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.92 3hnn s ILE 129 Cb -0.14 -1.64 0.12 0.00 0.01 0.00 0.00 42.46 40.81 3hnn s ILE 129 CO 0.16 0.54 0.22 -0.22 0.00 0.00 0.00 174.94 175.65 3hnn s LEU 130 N -0.06 4.75 0.00 2.97 2.96 0.32 -4.92 118.68 124.70 3hnn s LEU 130 Ca -0.06 -2.59 0.00 0.00 -0.22 0.00 0.00 54.13 51.26 3hnn s LEU 130 Cb -0.14 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.85 3hnn s LEU 130 CO 0.04 -0.35 0.00 -2.65 -1.32 0.00 0.00 176.35 172.08 3hnn n PRO 131 N 3.73 0.45 0.00 0.98 -0.02 -1.26 -2.61 135.00 136.27 3hnn n PRO 131 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3hnn n PRO 131 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 3hnn n PRO 131 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hnn n ARG 133 N -0.41 0.00 0.00 -0.52 1.74 -1.26 -4.92 116.66 111.29 3hnn n ARG 133 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hnn n ARG 133 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3hnn n ARG 133 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hnn n GLY 134 N 0.00 1.56 0.10 -0.13 0.00 -1.26 -4.80 105.19 100.66 3hnn n GLY 134 Ca 0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 3hnn n GLY 134 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hnn h LYS 135 N 0.00 0.19 -7.01 1.61 1.63 -2.01 -3.42 116.57 107.56 3hnn h LYS 135 Ca 0.00 -0.25 -0.48 0.00 -0.85 0.00 0.00 60.65 59.07 3hnn h LYS 135 Cb 0.00 0.08 0.03 0.00 -0.60 0.00 0.00 32.23 31.74 3hnn h LYS 135 CO 0.00 1.03 0.41 -1.83 -3.45 0.00 0.00 179.45 175.61 3hnn s GLU 136 N -2.79 3.99 0.37 1.90 1.03 -1.26 -5.02 118.70 116.92 3hnn s GLU 136 Ca -0.16 1.48 0.08 0.00 0.03 0.00 0.00 54.97 56.41 3hnn s GLU 136 Cb 0.00 -2.36 -0.05 0.00 -0.80 0.00 0.00 34.13 30.92 3hnn s GLU 136 CO 0.76 -0.29 0.14 0.95 -1.33 0.00 0.00 175.26 175.49 3hnn s THR 137 N -1.76 2.69 -0.20 1.83 -4.23 -1.26 -4.42 115.64 108.29 3hnn s THR 137 Ca 0.62 -1.74 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 3hnn s THR 137 Cb -0.21 -2.95 0.04 0.00 1.34 0.00 0.00 72.50 70.72 3hnn s THR 137 CO 0.25 -0.12 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.87 3hnn s LEU 138 N -3.85 2.37 -0.31 4.79 0.20 -0.67 -4.96 118.68 116.26 3hnn s LEU 138 Ca 0.39 -0.88 -0.19 0.00 0.69 0.00 0.00 54.13 54.13 3hnn s LEU 138 Cb 0.00 -1.33 -0.01 0.00 -0.43 0.00 0.00 46.19 44.42 3hnn s LEU 138 CO 0.22 -0.11 0.57 -0.62 -0.29 0.00 0.00 176.35 176.12 3hnn s ASP 139 N 1.34 6.43 0.00 3.68 -1.08 -1.26 -0.20 116.67 125.57 3hnn s ASP 139 Ca -0.01 0.33 0.24 0.00 -0.52 0.00 0.00 52.55 52.60 3hnn s ASP 139 Cb -0.16 -2.30 0.39 0.00 -1.46 0.00 0.00 42.92 39.39 3hnn s ASP 139 CO -0.09 -0.44 1.33 0.18 0.52 0.00 0.00 175.17 176.68 3hnn n LEU 140 N 5.77 0.73 0.00 -1.34 4.77 0.21 -4.89 117.00 122.25 3hnn n LEU 140 Ca -0.03 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3hnn n LEU 140 Cb 0.49 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3hnn n LEU 140 CO 0.44 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3hnn n GLY 141 N 1.47 0.02 2.30 -0.72 0.00 -1.25 0.81 105.19 107.82 3hnn n GLY 141 Ca 0.06 -1.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.09 3hnn n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hnn n LYS 142 N 0.15 -1.45 -0.00 1.61 5.02 -1.26 -1.50 118.16 120.73 3hnn n LYS 142 Ca 0.00 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 3hnn n LYS 142 Cb 0.00 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 29.69 3hnn n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hnn n GLY 143 N -0.40 0.07 3.24 0.72 0.00 -1.26 -5.01 105.19 102.56 3hnn n GLY 143 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 3hnn n GLY 143 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hnn n HIS 144 N -2.00 4.22 -3.28 1.61 8.25 -0.56 -3.54 115.22 119.92 3hnn n HIS 144 Ca 0.00 -2.91 -0.39 0.00 -0.26 0.00 0.00 57.72 54.16 3hnn n HIS 144 Cb 0.00 -2.56 -0.07 0.00 1.12 0.00 0.00 29.99 28.48 3hnn n HIS 144 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hnn s VAL 145 N 3.59 5.14 -0.22 1.59 1.01 -1.26 -0.62 120.40 129.63 3hnn s VAL 145 Ca 0.50 0.92 -0.12 0.00 0.00 0.00 0.00 61.98 63.29 3hnn s VAL 145 Cb 0.07 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3hnn s VAL 145 CO 0.01 0.23 0.21 -0.76 0.00 0.00 0.00 175.10 174.79 3hnn s LEU 146 N 1.33 4.15 -0.03 3.92 1.02 0.71 -1.97 118.68 127.81 3hnn s LEU 146 Ca 0.24 0.24 -0.04 0.00 0.02 0.00 0.00 54.13 54.60 3hnn s LEU 146 Cb -0.15 -2.21 -0.04 0.00 0.02 0.00 0.00 46.19 43.81 3hnn s LEU 146 CO 0.10 0.06 0.17 -0.54 0.02 0.00 0.00 176.35 176.15 3hnn s LYS 147 N 0.94 3.42 -0.08 1.70 1.02 0.12 -1.68 119.74 125.18 3hnn s LYS 147 Ca 0.11 -0.29 0.04 0.00 0.02 0.00 0.00 55.97 55.85 3hnn s LYS 147 Cb -0.13 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.06 3hnn s LYS 147 CO 0.04 0.70 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.89 3hnn s PHE 148 N -1.25 2.57 -0.39 3.18 0.08 -1.26 -0.47 117.98 120.44 3hnn s PHE 148 Ca 0.24 -0.75 0.02 0.00 0.12 0.00 0.00 56.93 56.56 3hnn s PHE 148 Cb -0.12 -1.68 0.12 0.00 -0.57 0.00 0.00 43.02 40.76 3hnn s PHE 148 CO 0.15 -0.24 0.16 -0.51 -0.10 0.00 0.00 175.22 174.69 3hnn s LEU 149 N 0.03 2.95 0.28 -0.37 1.02 0.06 -4.23 118.68 118.42 3hnn s LEU 149 Ca -0.08 -2.24 -0.30 0.00 0.02 0.00 0.00 54.13 51.53 3hnn s LEU 149 Cb -0.15 -1.11 -0.11 0.00 0.02 0.00 0.00 46.19 44.85 3hnn s LEU 149 CO 0.05 -0.33 1.48 -2.84 0.02 0.00 0.00 176.35 174.73 3hnn s PRO 150 N 0.83 4.22 -0.52 1.29 0.02 -1.26 -1.22 135.00 138.35 3hnn s PRO 150 Ca 0.14 2.40 0.07 0.00 0.02 0.00 0.00 61.00 63.63 3hnn s PRO 150 Cb -0.21 -3.07 0.28 0.00 0.02 0.00 0.00 34.50 31.52 3hnn s PRO 150 CO -0.10 -0.47 0.71 0.44 -0.33 0.00 0.00 177.00 177.25 3hnn n ILE 151 N 1.96 1.23 -1.97 2.83 -5.35 0.39 -4.90 119.36 113.54 3hnn n ILE 151 Ca 0.06 -4.84 -0.41 0.00 -0.27 0.00 0.00 62.75 57.29 3hnn n ILE 151 Cb 0.39 -1.69 -0.02 0.00 -1.74 0.00 0.00 39.64 36.59 3hnn n ILE 151 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3hnn s PRO 152 N -2.26 4.24 0.06 6.28 0.04 -1.25 -4.27 135.00 137.85 3hnn s PRO 152 Ca 0.40 2.37 -0.05 0.00 0.04 0.00 0.00 61.00 63.76 3hnn s PRO 152 Cb 0.21 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 3hnn s PRO 152 CO -0.07 -0.39 0.09 -1.54 0.04 0.00 0.00 177.00 175.12 3hnn s SER 153 N -0.02 0.27 0.27 6.66 1.04 -0.62 -4.94 113.70 116.37 3hnn s SER 153 Ca 0.55 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.22 3hnn s SER 153 Cb -0.43 0.26 0.61 0.00 0.10 0.00 0.00 66.02 66.56 3hnn s SER 153 CO 0.52 -0.64 1.71 -0.65 0.98 0.00 0.00 173.24 175.16 3hnn h PRO 154 N 3.09 0.43 -0.26 4.02 0.11 -1.96 -0.08 132.00 137.35 3hnn h PRO 154 Ca -0.34 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.58 3hnn h PRO 154 Cb 1.17 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hnn h PRO 154 CO 0.59 0.28 -0.50 -0.09 -0.21 0.00 0.00 178.00 178.07 3hnn h ARG 155 N 0.44 0.71 -2.64 1.05 9.65 -2.00 -3.38 114.38 118.21 3hnn h ARG 155 Ca 0.50 -0.42 -0.60 0.00 -1.10 0.00 0.00 59.98 58.35 3hnn h ARG 155 Cb 0.86 0.04 -0.39 0.00 -1.39 0.00 0.00 29.97 29.08 3hnn h ARG 155 CO -0.47 1.04 -0.83 -1.58 2.80 0.00 0.00 179.97 180.93 3hnn s TRP 156 N -4.14 1.92 0.53 2.20 0.51 -0.44 -4.97 118.94 114.54 3hnn s TRP 156 Ca -0.09 -2.63 0.21 0.00 -2.12 0.00 0.00 56.10 51.47 3hnn s TRP 156 Cb 0.11 -1.55 1.34 0.00 -0.81 0.00 0.00 33.47 32.57 3hnn s TRP 156 CO 0.86 -0.74 2.08 -1.35 -0.51 0.00 0.00 176.95 177.29 3hnn h PRO 157 N 5.69 0.00 -0.63 4.98 0.11 -1.26 -0.42 132.00 140.47 3hnn h PRO 157 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3hnn h PRO 157 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3hnn h PRO 157 CO 0.48 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.27 3hnn n ALA 158 N -2.58 3.43 -1.64 -0.75 0.00 -1.26 -4.33 120.51 113.38 3hnn n ALA 158 Ca 0.03 -1.65 -0.47 0.00 0.00 0.00 0.00 53.44 51.34 3hnn n ALA 158 Cb 0.33 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 3hnn n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hnn n GLY 159 N 0.87 0.80 2.95 0.00 0.00 -0.26 -4.21 105.19 105.34 3hnn n GLY 159 Ca 0.25 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.77 3hnn n GLY 159 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hnn s LEU 160 N 0.62 0.90 0.05 0.99 2.96 0.04 -0.46 118.68 123.78 3hnn s LEU 160 Ca 0.77 0.30 0.02 0.00 -0.22 0.00 0.00 54.13 55.00 3hnn s LEU 160 Cb -0.76 0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.29 3hnn s LEU 160 CO 0.44 -0.12 0.09 0.00 -1.32 0.00 0.00 176.35 175.43 3hnn s THR 162 N -1.33 1.30 -0.11 0.00 2.01 -1.02 -0.76 115.64 115.71 3hnn s THR 162 Ca 0.28 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.63 3hnn s THR 162 Cb -0.12 -1.10 0.01 0.00 0.01 0.00 0.00 72.50 71.30 3hnn s THR 162 CO 0.20 0.37 -0.16 -0.47 -0.69 0.00 0.00 174.62 173.87 3hnn s TYR 163 N -0.13 2.06 -0.43 4.92 5.04 0.38 0.04 117.35 129.22 3hnn s TYR 163 Ca 0.01 -0.98 -0.19 0.00 -2.44 0.00 0.00 57.07 53.46 3hnn s TYR 163 Cb -0.09 -1.48 0.02 0.00 0.35 0.00 0.00 41.96 40.77 3hnn s TYR 163 CO 0.01 -0.50 0.55 0.34 -1.34 0.00 0.00 175.55 174.62 3hnn s ASP 164 N 0.97 6.27 0.27 4.32 -1.08 -0.49 -0.70 116.67 126.22 3hnn s ASP 164 Ca -0.07 -0.48 -0.03 0.00 -0.52 0.00 0.00 52.55 51.45 3hnn s ASP 164 Cb -0.15 -2.28 0.39 0.00 -1.46 0.00 0.00 42.92 39.43 3hnn s ASP 164 CO -0.02 -0.69 1.91 0.58 0.52 0.00 0.00 175.17 177.47 3hnn h VAL 165 N 5.81 1.14 -0.06 1.11 2.07 -1.67 0.42 116.25 125.08 3hnn h VAL 165 Ca -0.26 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 66.86 3hnn h VAL 165 Cb 1.10 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3hnn h VAL 165 CO 0.85 0.22 0.02 -0.61 0.02 0.00 0.00 177.57 178.07 3hnn h GLN 166 N 1.20 0.05 0.00 1.57 5.75 -1.80 -3.26 115.11 118.62 3hnn h GLN 166 Ca 0.40 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.89 3hnn h GLN 166 Cb 0.05 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.59 3hnn h GLN 166 CO -0.13 0.03 -1.25 0.25 -2.65 0.00 0.00 178.83 175.09 3hnn n THR 167 N -5.08 0.01 -2.77 2.39 -2.24 -1.08 -4.96 114.28 100.55 3hnn n THR 167 Ca -0.06 -0.14 -0.22 0.00 -2.27 0.00 0.00 64.05 61.36 3hnn n THR 167 Cb 0.04 0.69 0.02 0.00 -2.10 0.00 0.00 70.33 68.98 3hnn n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hnn n GLN 168 N -1.72 -3.65 -3.37 -0.78 6.02 0.15 -4.72 117.38 109.31 3hnn n GLN 168 Ca 0.02 0.96 -0.38 0.00 -0.01 0.00 0.00 57.00 57.59 3hnn n GLN 168 Cb 0.40 -5.75 -0.06 0.00 1.02 0.00 0.00 30.24 25.85 3hnn n GLN 168 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hnn s ILE 169 N -3.13 5.10 -0.22 5.09 1.01 -1.21 -0.60 121.20 127.22 3hnn s ILE 169 Ca 0.18 0.94 -0.06 0.00 0.00 0.00 0.00 60.65 61.71 3hnn s ILE 169 Cb -0.08 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 3hnn s ILE 169 CO 0.23 0.42 0.04 -0.22 0.00 0.00 0.00 174.94 175.41 3hnn s LEU 170 N -0.05 3.42 -0.39 2.97 2.96 -0.41 -1.40 118.68 125.78 3hnn s LEU 170 Ca 0.25 -0.17 -0.21 0.00 -0.22 0.00 0.00 54.13 53.78 3hnn s LEU 170 Cb -0.16 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.65 3hnn s LEU 170 CO 0.12 0.03 0.68 -0.31 -1.32 0.00 0.00 176.35 175.55 3hnn s TYR 171 N 1.22 3.10 -0.99 5.38 1.51 0.11 -0.52 117.35 127.16 3hnn s TYR 171 Ca 0.04 0.27 0.12 0.00 -1.01 0.00 0.00 57.07 56.49 3hnn s TYR 171 Cb -0.14 -3.30 -0.04 0.00 -0.11 0.00 0.00 41.96 38.37 3hnn s TYR 171 CO 0.03 -0.75 0.66 0.25 -1.11 0.00 0.00 175.55 174.63 3hnn n THR 172 N 5.75 0.00 0.00 -0.71 -2.24 -0.94 -2.45 114.28 113.69 3hnn n THR 172 Ca -0.00 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3hnn n THR 172 Cb 0.48 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 3hnn n THR 172 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hnn n ASP 173 N -0.48 0.00 0.20 3.42 2.03 -1.26 -1.74 116.55 118.72 3hnn n ASP 173 Ca 0.04 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.50 3hnn n ASP 173 Cb 0.24 0.00 0.54 0.00 -0.72 0.00 0.00 41.12 41.18 3hnn n ASP 173 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3hnn h LYS 174 N 0.00 0.00 -6.64 -0.67 1.79 -1.94 0.24 116.57 109.36 3hnn h LYS 174 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 3hnn h LYS 174 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3hnn h LYS 174 CO 0.00 0.00 0.27 0.42 -1.08 0.00 0.00 179.45 179.06 3hnn s ILE 175 N -3.43 4.23 0.00 1.86 -1.09 -0.71 -4.03 121.20 118.02 3hnn s ILE 175 Ca 0.04 1.91 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 3hnn s ILE 175 Cb 0.09 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 3hnn s ILE 175 CO 0.50 0.50 0.00 0.49 -1.23 0.00 0.00 174.94 175.20 3hnn n PHE 176 N 1.60 0.00 -1.74 3.97 3.72 -1.26 -4.68 117.46 119.07 3hnn n PHE 176 Ca -0.03 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.07 3hnn n PHE 176 Cb 0.48 -0.04 0.21 0.00 -0.94 0.00 0.00 39.48 39.19 3hnn n PHE 176 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3hnn s GLY 177 N -2.00 1.76 -0.20 1.37 0.00 -1.26 -4.96 107.32 102.04 3hnn s GLY 177 Ca 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 44.72 43.34 3hnn s GLY 177 CO 0.00 -0.39 0.50 0.00 0.00 0.00 0.00 173.10 173.22 3hnn s ALA 178 N -3.73 -1.28 -1.17 3.20 0.00 -0.55 -4.55 121.76 113.68 3hnn s ALA 178 Ca 0.75 1.57 -0.17 0.00 0.00 0.00 0.00 51.96 54.11 3hnn s ALA 178 Cb -0.04 -0.93 0.12 0.00 0.00 0.00 0.00 23.12 22.27 3hnn s ALA 178 CO 0.54 -0.26 1.47 -1.01 0.00 0.00 0.00 175.76 176.50 3hnn s HIS 179 N 0.71 3.11 -0.13 0.00 3.76 -1.26 -2.65 115.29 118.83 3hnn s HIS 179 Ca -0.04 -1.71 -0.06 0.00 -0.15 0.00 0.00 55.06 53.10 3hnn s HIS 179 Cb -0.05 -4.48 0.06 0.00 1.11 0.00 0.00 32.58 29.21 3hnn s HIS 179 CO -0.05 -1.60 0.30 -1.50 -0.85 0.00 0.00 174.74 171.04 3hnn s ILE 180 N 2.94 -0.15 -0.24 0.60 2.07 -1.16 -4.47 121.20 120.79 3hnn s ILE 180 Ca 0.45 0.16 -0.11 0.00 -1.41 0.00 0.00 60.65 59.74 3hnn s ILE 180 Cb -0.01 -0.46 -0.05 0.00 0.13 0.00 0.00 42.46 42.07 3hnn s ILE 180 CO -0.00 0.07 0.16 0.00 -1.91 0.00 0.00 174.94 173.25 3hnn s GLY 182 N 1.03 1.38 0.17 0.00 0.00 -1.26 -4.88 107.32 103.76 3hnn s GLY 182 Ca 0.08 -1.47 0.09 0.00 0.00 0.00 0.00 44.72 43.42 3hnn s GLY 182 CO 0.04 -1.02 1.33 -0.55 0.00 0.00 0.00 173.10 172.90 3hnn h ASP 183 N 2.21 0.00 -3.05 1.64 3.32 -2.01 -3.46 116.42 115.07 3hnn h ASP 183 Ca -0.29 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.22 3hnn h ASP 183 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 3hnn h ASP 183 CO 0.40 0.85 0.71 -1.81 -1.72 0.00 0.00 179.24 177.66 3hnn s ASP 184 N -6.64 6.97 0.09 6.45 1.01 -1.26 -4.93 116.67 118.37 3hnn s ASP 184 Ca 0.02 2.01 -0.13 0.00 0.71 0.00 0.00 52.55 55.16 3hnn s ASP 184 Cb 0.09 -2.57 -0.19 0.00 1.01 0.00 0.00 42.92 41.27 3hnn s ASP 184 CO 0.80 -0.60 1.25 0.58 0.21 0.00 0.00 175.17 177.41 3hnn h VAL 185 N 4.77 1.28 -2.19 -1.27 2.07 -1.97 -3.44 116.25 115.50 3hnn h VAL 185 Ca -0.38 -2.08 -0.51 0.00 0.82 0.00 0.00 66.70 64.55 3hnn h VAL 185 Cb 1.19 2.16 -0.05 0.00 -1.52 0.00 0.00 31.29 33.06 3hnn h VAL 185 CO 0.87 0.65 -0.53 -0.36 0.02 0.00 0.00 177.57 178.22 3hnn s PHE 186 N -3.56 3.09 0.31 1.57 0.08 -1.26 -0.92 117.98 117.29 3hnn s PHE 186 Ca -0.10 -0.12 -0.23 0.00 0.12 0.00 0.00 56.93 56.60 3hnn s PHE 186 Cb 0.08 -1.40 -0.10 0.00 -0.57 0.00 0.00 43.02 41.03 3hnn s PHE 186 CO 0.91 0.52 0.88 0.16 -0.10 0.00 0.00 175.22 177.59 3hnn s ASP 187 N -3.84 7.19 0.00 1.36 -4.77 -0.32 -4.70 116.67 111.59 3hnn s ASP 187 Ca 0.33 1.69 0.00 0.00 -3.30 0.00 0.00 52.55 51.27 3hnn s ASP 187 Cb -0.08 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.23 3hnn s ASP 187 CO 0.25 -0.08 0.00 0.47 0.70 0.00 0.00 175.17 176.50 3hnn n ASP 188 N 0.41 -1.21 -4.55 2.11 9.92 -1.26 -4.33 116.55 117.64 3hnn n ASP 188 Ca 0.02 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.89 3hnn n ASP 188 Cb 0.51 -0.61 -0.03 0.00 -0.64 0.00 0.00 41.12 40.35 3hnn n ASP 188 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3hnn s ASN 189 N 0.00 5.32 0.15 -2.24 0.01 -1.26 -5.06 114.94 111.85 3hnn s ASN 189 Ca 0.00 0.29 -0.11 0.00 -0.71 0.00 0.00 52.86 52.33 3hnn s ASN 189 Cb 0.00 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 3hnn s ASN 189 CO 0.00 -2.35 1.51 -0.25 -1.51 0.00 0.00 177.10 174.50 3hnn h TRP 190 N 14.67 1.15 -0.88 2.20 7.01 -1.95 -2.25 115.95 135.90 3hnn h TRP 190 Ca -0.26 -0.31 0.19 0.00 2.11 0.00 0.00 58.89 60.62 3hnn h TRP 190 Cb 1.16 -0.25 -0.06 0.00 -2.10 0.00 0.00 29.16 27.90 3hnn h TRP 190 CO 1.05 1.14 0.58 0.93 -2.79 0.00 0.00 178.44 179.35 3hnn h GLU 191 N 0.82 0.41 0.00 2.65 4.39 -1.99 0.58 114.58 121.44 3hnn h GLU 191 Ca 0.09 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3hnn h GLU 191 Cb 0.89 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3hnn h GLU 191 CO 0.08 0.27 0.00 0.66 -1.16 0.00 0.00 179.01 178.86 3hnn h SER 192 N 0.42 0.00 0.00 1.42 4.64 -1.86 -3.28 113.55 114.90 3hnn h SER 192 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3hnn h SER 192 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3hnn h SER 192 CO -0.17 0.00 -1.18 0.49 -0.87 0.00 0.00 176.83 175.11 3hnn n PHE 193 N -2.37 0.00 -0.35 4.77 3.72 0.19 -4.76 117.46 118.65 3hnn n PHE 193 Ca 0.02 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.48 3hnn n PHE 193 Cb 0.26 -0.17 0.22 0.00 -0.94 0.00 0.00 39.48 38.85 3hnn n PHE 193 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3hnn h LYS 194 N 0.00 0.95 -0.93 -1.08 1.57 -1.32 -0.15 116.57 115.61 3hnn h LYS 194 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hnn h LYS 194 Cb 0.47 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 3hnn h LYS 194 CO 0.00 0.63 0.59 1.49 -0.57 0.00 0.00 179.45 181.59 3hnn h GLU 195 N 0.98 1.24 -0.31 3.15 4.81 -1.86 -2.15 114.58 120.44 3hnn h GLU 195 Ca 0.47 -0.09 -0.18 0.00 -0.13 0.00 0.00 59.36 59.44 3hnn h GLU 195 Cb 0.43 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 3hnn h GLU 195 CO -0.25 0.84 -0.50 -0.44 -0.73 0.00 0.00 179.01 177.92 3hnn h ASP 196 N 1.27 0.97 -0.88 1.04 3.32 -1.38 -0.73 116.42 120.03 3hnn h ASP 196 Ca 0.34 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3hnn h ASP 196 Cb -0.11 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.12 3hnn h ASP 196 CO -0.07 1.30 0.53 1.56 -1.72 0.00 0.00 179.24 180.84 3hnn h GLN 197 N 0.69 1.20 -0.08 3.56 4.20 -1.21 0.05 115.11 123.52 3hnn h GLN 197 Ca 0.03 -0.11 -0.24 0.00 0.06 0.00 0.00 58.65 58.39 3hnn h GLN 197 Cb 1.10 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 28.65 3hnn h GLN 197 CO 0.11 0.84 -0.91 -0.09 -0.67 0.00 0.00 178.83 178.12 3hnn h ARG 198 N 1.21 0.73 -0.69 1.46 2.43 -1.30 -1.24 114.38 116.99 3hnn h ARG 198 Ca 0.32 -0.68 -0.02 0.00 -0.81 0.00 0.00 59.98 58.79 3hnn h ARG 198 Cb -0.05 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3hnn h ARG 198 CO -0.06 1.27 0.35 -0.92 -1.51 0.00 0.00 179.97 179.11 3hnn h TYR 199 N 0.45 0.96 -0.27 2.20 3.20 -0.98 -0.22 116.97 122.32 3hnn h TYR 199 Ca -0.09 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 3hnn h TYR 199 Cb 1.55 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 3hnn h TYR 199 CO 0.09 0.70 0.15 -0.92 -1.64 0.00 0.00 178.16 176.55 3hnn h TYR 200 N 0.95 0.37 -0.23 -3.82 5.03 -0.87 -0.33 116.97 118.06 3hnn h TYR 200 Ca 0.24 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.59 3hnn h TYR 200 Cb 0.08 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.19 3hnn h TYR 200 CO 0.00 0.30 -0.11 0.35 -1.32 0.00 0.00 178.16 177.38 3hnn h PHE 201 N 0.33 -0.25 -0.48 -3.82 3.04 -0.95 -0.60 116.94 114.20 3hnn h PHE 201 Ca 0.10 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 3hnn h PHE 201 Cb 0.05 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 3hnn h PHE 201 CO -0.04 -0.17 0.25 -0.91 -2.02 0.00 0.00 178.31 175.43 3hnn h ASN 202 N -0.08 0.59 -0.03 0.41 2.35 -0.66 0.44 115.58 118.61 3hnn h ASN 202 Ca 0.12 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3hnn h ASN 202 Cb 0.26 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3hnn h ASN 202 CO -0.28 0.49 -0.19 0.00 -1.65 0.00 0.00 177.43 175.81 3hnn n LEU 204 N -4.57 3.07 0.00 0.00 4.77 -0.27 -4.85 117.00 115.16 3hnn n LEU 204 Ca -0.09 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 3hnn n LEU 204 Cb 0.44 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3hnn n LEU 204 CO 0.38 0.67 0.00 0.00 -1.33 0.00 0.00 177.39 177.12 3hnn n ALA 206 N -0.36 0.00 0.13 -1.18 0.00 0.14 -4.82 120.51 114.42 3hnn n ALA 206 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.66 3hnn n ALA 206 Cb 0.62 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.48 3hnn n ALA 206 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hnn n PRO 207 N 0.00 0.10 -1.17 0.00 -0.02 -1.26 -2.04 135.00 130.61 3hnn n PRO 207 Ca 0.00 0.59 -0.05 0.00 -2.02 0.00 0.00 63.50 62.02 3hnn n PRO 207 Cb 0.00 -1.81 0.13 0.00 -0.02 0.00 0.00 33.50 31.80 3hnn n PRO 207 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3hnn n HIS 208 N -2.02 0.98 -0.28 6.00 8.25 -1.26 -4.87 115.22 122.02 3hnn n HIS 208 Ca -0.01 -1.73 0.06 0.00 -0.26 0.00 0.00 57.72 55.79 3hnn n HIS 208 Cb 0.03 -0.28 0.29 0.00 1.12 0.00 0.00 29.99 31.15 3hnn n HIS 208 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hnn h ALA 209 N 1.44 1.61 -0.36 -1.41 0.00 -1.76 0.62 119.26 119.40 3hnn h ALA 209 Ca 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3hnn h ALA 209 Cb 1.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3hnn h ALA 209 CO 0.27 0.22 0.03 -0.84 0.00 0.00 0.00 179.25 178.94 3hnn h ILE 210 N 0.91 1.19 -0.01 0.00 3.07 -1.88 -1.22 117.51 119.57 3hnn h ILE 210 Ca 0.40 -0.74 -0.15 0.00 1.55 0.00 0.00 64.86 65.91 3hnn h ILE 210 Cb 0.34 0.89 -0.02 0.00 -0.27 0.00 0.00 36.82 37.76 3hnn h ILE 210 CO -0.16 0.26 -0.72 0.45 -1.05 0.00 0.00 178.15 176.93 3hnn h HIS 211 N 0.54 0.07 -0.81 0.16 3.86 -1.34 -2.51 115.15 115.12 3hnn h HIS 211 Ca 0.12 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 3hnn h HIS 211 Cb 0.30 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 3hnn h HIS 211 CO 0.01 0.75 0.34 0.28 0.86 0.00 0.00 177.93 180.17 3hnn h VAL 212 N 0.04 1.26 -0.47 2.45 2.07 -0.64 -0.98 116.25 119.98 3hnn h VAL 212 Ca -0.01 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 3hnn h VAL 212 Cb 1.27 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3hnn h VAL 212 CO 0.10 0.34 0.15 -0.33 0.02 0.00 0.00 177.57 177.85 3hnn h GLU 213 N 1.18 0.73 -0.31 1.57 5.08 -1.12 -1.47 114.58 120.25 3hnn h GLU 213 Ca 0.27 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3hnn h GLU 213 Cb 0.20 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3hnn h GLU 213 CO -0.02 0.69 0.17 0.00 -1.00 0.00 0.00 179.01 178.85 3hnn h ALA 214 N 1.01 0.38 -0.31 3.43 0.00 -1.15 -1.83 119.26 120.78 3hnn h ALA 214 Ca 0.15 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3hnn h ALA 214 Cb 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3hnn h ALA 214 CO -0.01 -0.20 0.04 0.00 0.00 0.00 0.00 179.25 179.09 3hnn h ALA 215 N 1.14 0.32 -0.67 0.00 0.00 -0.97 -1.28 119.26 117.80 3hnn h ALA 215 Ca 0.12 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.18 3hnn h ALA 215 Cb 0.01 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3hnn h ALA 215 CO -0.07 -0.36 0.34 -0.07 0.00 0.00 0.00 179.25 179.09 3hnn h LEU 216 N 0.15 0.47 -0.57 0.00 3.38 -1.01 -1.27 115.31 116.47 3hnn h LEU 216 Ca 0.15 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hnn h LEU 216 Cb 0.17 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3hnn h LEU 216 CO -0.21 0.29 0.37 -0.08 0.09 0.00 0.00 178.44 178.90 3hnn h GLU 217 N 0.62 0.75 -0.64 1.13 4.22 -1.02 -1.33 114.58 118.30 3hnn h GLU 217 Ca 0.32 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.67 3hnn h GLU 217 Cb 0.27 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3hnn h GLU 217 CO -0.23 0.50 0.25 0.87 -2.18 0.00 0.00 179.01 178.23 3hnn h LYS 218 N 0.77 0.94 0.00 1.92 1.57 -0.13 -2.55 116.57 119.08 3hnn h LYS 218 Ca 0.21 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hnn h LYS 218 Cb -0.08 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.07 3hnn h LYS 218 CO -0.04 0.77 -0.53 0.44 -0.57 0.00 0.00 179.45 179.51 3hnn n ILE 219 N -4.31 0.03 0.31 1.86 -5.35 -0.70 -4.46 119.36 106.74 3hnn n ILE 219 Ca 0.06 -0.03 0.18 0.00 -0.27 0.00 0.00 62.75 62.69 3hnn n ILE 219 Cb 0.17 0.23 1.02 0.00 -1.74 0.00 0.00 39.64 39.32 3hnn n ILE 219 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3hnn h SER 220 N 0.00 0.00 -0.54 7.28 4.64 -0.80 -1.64 113.55 122.50 3hnn h SER 220 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hnn h SER 220 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3hnn h SER 220 CO 0.00 0.01 0.00 0.47 -0.87 0.00 0.00 176.83 176.44 3hnn n ASP 221 N -3.54 4.05 -4.85 4.97 8.00 -1.26 -4.92 116.55 118.99 3hnn n ASP 221 Ca -0.03 -2.33 -0.33 0.00 0.71 0.00 0.00 54.79 52.81 3hnn n ASP 221 Cb 0.09 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 40.66 3hnn n ASP 221 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hnn s LEU 222 N -1.61 4.18 -0.33 0.64 1.43 -0.62 -5.05 118.68 117.33 3hnn s LEU 222 Ca 0.43 1.15 -0.21 0.00 -1.03 0.00 0.00 54.13 54.47 3hnn s LEU 222 Cb 0.26 -3.74 -0.00 0.00 0.03 0.00 0.00 46.19 42.74 3hnn s LEU 222 CO 0.22 -0.08 0.65 -1.10 0.23 0.00 0.00 176.35 176.27 3hnn s GLN 223 N -2.61 3.82 -0.06 1.70 -0.21 -1.26 -5.05 119.66 115.99 3hnn s GLN 223 Ca 0.48 0.22 0.06 0.00 0.02 0.00 0.00 55.36 56.13 3hnn s GLN 223 Cb -0.12 -3.76 -0.01 0.00 1.00 0.00 0.00 33.01 30.12 3hnn s GLN 223 CO 0.19 -0.65 -0.23 0.08 -2.12 0.00 0.00 175.29 172.56 3hnn s VAL 224 N 2.68 1.92 -0.08 1.09 1.01 -1.26 -4.76 120.40 121.00 3hnn s VAL 224 Ca 0.25 -0.99 0.19 0.00 0.00 0.00 0.00 61.98 61.44 3hnn s VAL 224 Cb -0.15 -1.63 -0.29 0.00 0.00 0.00 0.00 36.38 34.32 3hnn s VAL 224 CO 0.13 0.54 0.32 0.54 0.00 0.00 0.00 175.10 176.63 3hnn n ARG 225 N 3.04 0.72 -3.68 2.72 5.12 0.23 -5.00 116.66 119.80 3hnn n ARG 225 Ca -0.18 -0.13 -0.13 0.00 -1.93 0.00 0.00 57.85 55.49 3hnn n ARG 225 Cb 0.52 -1.48 -0.09 0.00 -1.16 0.00 0.00 32.46 30.26 3hnn n ARG 225 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3hnn s LEU 226 N -4.70 -0.17 -0.44 0.55 2.96 -1.24 -4.72 118.68 110.93 3hnn s LEU 226 Ca -0.08 1.12 -0.17 0.00 -0.22 0.00 0.00 54.13 54.78 3hnn s LEU 226 Cb 0.11 1.88 0.03 0.00 0.50 0.00 0.00 46.19 48.70 3hnn s LEU 226 CO 0.81 -0.20 0.46 -0.31 -1.32 0.00 0.00 176.35 175.79 3hnn s TYR 227 N 0.50 3.16 -1.07 5.38 2.02 0.09 -1.29 117.35 126.15 3hnn s TYR 227 Ca -0.02 -0.46 -0.17 0.00 -0.37 0.00 0.00 57.07 56.05 3hnn s TYR 227 Cb -0.04 -3.01 0.13 0.00 -0.40 0.00 0.00 41.96 38.64 3hnn s TYR 227 CO -0.02 -0.76 1.32 0.00 -1.57 0.00 0.00 175.55 174.52 3hnn s ALA 228 N 2.15 3.53 0.68 3.71 0.00 0.32 -1.50 121.76 130.65 3hnn s ALA 228 Ca 0.12 -2.95 -0.11 0.00 0.00 0.00 0.00 51.96 49.02 3hnn s ALA 228 Cb -0.18 -4.17 -0.00 0.00 0.00 0.00 0.00 23.12 18.77 3hnn s ALA 228 CO 0.13 -2.99 1.07 0.14 0.00 0.00 0.00 175.76 174.10 3hnn s VAL 229 N 2.62 3.86 0.06 0.00 -7.23 -1.26 -2.22 120.40 116.22 3hnn s VAL 229 Ca 0.39 0.58 0.13 0.00 -1.81 0.00 0.00 61.98 61.27 3hnn s VAL 229 Cb -0.03 -3.59 -0.01 0.00 0.56 0.00 0.00 36.38 33.30 3hnn s VAL 229 CO -0.05 -0.78 1.49 1.23 -0.31 0.00 0.00 175.10 176.68 3hnn h GLY 230 N -0.53 0.00 -6.35 2.32 0.00 -0.78 -3.42 103.07 94.30 3hnn h GLY 230 Ca -0.45 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.58 3hnn h GLY 230 CO 0.63 0.00 -0.73 0.30 0.00 0.00 0.00 176.54 176.74 3hnn s HIS 231 N -3.12 0.12 0.00 5.60 3.76 -1.26 -0.14 115.29 120.25 3hnn s HIS 231 Ca 0.01 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 3hnn s HIS 231 Cb 0.10 -0.26 0.00 0.00 1.11 0.00 0.00 32.58 33.52 3hnn s HIS 231 CO 0.76 -0.09 0.00 0.41 -0.85 0.00 0.00 174.74 174.97 3hnn n GLY 232 N 4.02 -1.80 3.77 -2.22 0.00 -1.09 -1.49 105.19 106.39 3hnn n GLY 232 Ca -0.26 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 3hnn n GLY 232 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hnn s PRO 233 N 0.00 3.53 0.33 1.61 0.02 -1.26 -4.91 135.00 134.31 3hnn s PRO 233 Ca 0.00 1.75 -0.28 0.00 0.02 0.00 0.00 61.00 62.48 3hnn s PRO 233 Cb 0.00 -2.22 -0.10 0.00 0.02 0.00 0.00 34.50 32.20 3hnn s PRO 233 CO 0.00 -0.74 1.25 -0.51 -0.33 0.00 0.00 177.00 176.67 3hnn s LEU 234 N -3.40 4.42 -0.48 -5.54 1.02 -0.10 -4.71 118.68 109.89 3hnn s LEU 234 Ca 0.68 2.57 -0.17 0.00 0.02 0.00 0.00 54.13 57.23 3hnn s LEU 234 Cb -0.28 -3.70 0.06 0.00 0.02 0.00 0.00 46.19 42.30 3hnn s LEU 234 CO 0.32 -0.49 0.48 -0.69 0.02 0.00 0.00 176.35 176.00 3hnn s VAL 235 N -1.18 5.10 0.00 -1.59 1.01 -0.57 -1.17 120.40 122.00 3hnn s VAL 235 Ca 0.49 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3hnn s VAL 235 Cb -0.37 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 31.83 3hnn s VAL 235 CO 0.49 -0.64 0.00 -1.14 0.00 0.00 0.00 175.10 173.81 3hnn n ARG 236 N 5.58 0.00 0.03 2.72 0.63 -1.26 -0.73 116.66 123.63 3hnn n ARG 236 Ca -0.10 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.84 3hnn n ARG 236 Cb 0.45 0.00 0.34 0.00 0.45 0.00 0.00 32.46 33.70 3hnn n ARG 236 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3hnn h THR 237 N 0.00 1.17 -0.15 5.15 2.02 -1.89 -2.55 112.91 116.66 3hnn h THR 237 Ca 0.00 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.51 3hnn h THR 237 Cb 0.00 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3hnn h THR 237 CO 0.00 0.23 0.00 -1.54 0.37 0.00 0.00 175.52 174.58 3hnn n SER 238 N -4.32 1.63 0.00 4.18 3.41 -1.26 -4.49 113.62 112.77 3hnn n SER 238 Ca 0.01 -1.69 -0.13 0.00 -0.26 0.00 0.00 58.87 56.80 3hnn n SER 238 Cb 0.22 -0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 64.00 3hnn n SER 238 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3hnn h LEU 239 N 2.19 -1.41 -0.30 1.04 6.46 -1.69 0.36 115.31 121.94 3hnn h LEU 239 Ca 0.00 0.18 -0.08 0.00 -0.12 0.00 0.00 57.88 57.86 3hnn h LEU 239 Cb 0.48 0.57 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 3hnn h LEU 239 CO 0.00 -0.44 -0.13 0.40 -0.62 0.00 0.00 178.44 177.64 3hnn h ILE 240 N -0.52 1.29 -0.74 4.05 2.04 -1.83 -0.86 117.51 120.94 3hnn h ILE 240 Ca 0.06 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 3hnn h ILE 240 Cb 0.65 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3hnn h ILE 240 CO -0.40 0.39 0.34 0.00 0.00 0.00 0.00 178.15 178.48 3hnn h ALA 241 N 0.76 0.96 -0.61 1.87 0.00 -1.81 -1.36 119.26 119.08 3hnn h ALA 241 Ca 0.07 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3hnn h ALA 241 Cb 0.65 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hnn h ALA 241 CO 0.04 0.54 0.04 1.25 0.00 0.00 0.00 179.25 181.13 3hnn h LEU 242 N 1.05 1.00 -0.92 0.00 5.85 -0.10 -0.65 115.31 121.55 3hnn h LEU 242 Ca 0.25 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3hnn h LEU 242 Cb 0.15 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3hnn h LEU 242 CO -0.03 1.03 0.36 0.74 -0.34 0.00 0.00 178.44 180.21 3hnn h THR 243 N 0.96 1.25 -0.25 1.05 2.02 -0.56 0.34 112.91 117.72 3hnn h THR 243 Ca 0.18 -0.72 -0.16 0.00 0.77 0.00 0.00 66.41 66.48 3hnn h THR 243 Cb 0.50 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3hnn h THR 243 CO 0.02 0.30 -0.49 -0.61 0.37 0.00 0.00 175.52 175.12 3hnn h GLN 244 N 1.13 0.69 -0.03 6.66 5.75 -1.00 -2.32 115.11 125.99 3hnn h GLN 244 Ca 0.27 -0.41 0.01 0.00 -0.15 0.00 0.00 58.65 58.37 3hnn h GLN 244 Cb 0.14 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 3hnn h GLN 244 CO -0.03 1.02 -0.02 0.00 -2.65 0.00 0.00 178.83 177.15 3hnn h ALA 245 N 0.91 0.01 -0.67 3.38 0.00 -0.54 -0.32 119.26 122.02 3hnn h ALA 245 Ca 0.03 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.07 3hnn h ALA 245 Cb 1.05 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 3hnn h ALA 245 CO 0.10 -0.51 0.23 1.88 0.00 0.00 0.00 179.25 180.96 3hnn h TYR 246 N -0.02 0.39 -0.01 0.00 -1.99 -0.82 0.52 116.97 115.05 3hnn h TYR 246 Ca 0.02 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.79 3hnn h TYR 246 Cb 0.05 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 3hnn h TYR 246 CO -0.11 0.05 -0.02 0.00 -0.00 0.00 0.00 178.16 178.08 3hnn h ALA 247 N 1.49 -0.01 -0.29 3.88 0.00 -1.19 -0.07 119.26 123.07 3hnn h ALA 247 Ca 0.35 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3hnn h ALA 247 Cb 0.50 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3hnn h ALA 247 CO -0.37 -0.51 0.10 -0.44 0.00 0.00 0.00 179.25 178.03 3hnn h ASP 248 N -0.03 0.41 -0.81 0.00 3.32 -0.39 -1.89 116.42 117.04 3hnn h ASP 248 Ca 0.01 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3hnn h ASP 248 Cb 0.05 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3hnn h ASP 248 CO -0.03 0.48 0.37 -0.50 -1.72 0.00 0.00 179.24 177.84 3hnn h TRP 249 N 0.31 1.18 -0.26 4.55 6.55 0.03 -2.63 115.95 125.68 3hnn h TRP 249 Ca 0.09 -0.07 -0.01 0.00 0.95 0.00 0.00 58.89 59.86 3hnn h TRP 249 Cb 0.21 -0.36 -0.01 0.00 -0.86 0.00 0.00 29.16 28.14 3hnn h TRP 249 CO -0.00 0.87 0.14 0.77 -1.05 0.00 0.00 178.44 179.17 3hnn h SER 250 N 1.15 0.33 -0.36 -3.49 0.02 -0.76 -1.67 113.55 108.77 3hnn h SER 250 Ca 0.27 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 61.05 3hnn h SER 250 Cb 0.15 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3hnn h SER 250 CO -0.03 0.34 -0.01 0.07 -1.14 0.00 0.00 176.83 176.05 3hnn h LYS 251 N 0.30 0.75 -0.75 3.45 2.10 -1.29 -2.24 116.57 118.89 3hnn h LYS 251 Ca 0.09 -0.20 -0.04 0.00 -2.00 0.00 0.00 60.65 58.50 3hnn h LYS 251 Cb 0.08 -0.09 -0.03 0.00 -0.90 0.00 0.00 32.23 31.29 3hnn h LYS 251 CO -0.01 0.77 0.31 0.00 -2.00 0.00 0.00 179.45 178.51 3hnn h ALA 252 N 1.29 0.98 -0.11 0.07 0.00 -1.36 -2.58 119.26 117.53 3hnn h ALA 252 Ca 0.14 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3hnn h ALA 252 Cb 0.45 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3hnn h ALA 252 CO 0.02 0.59 -0.19 0.37 0.00 0.00 0.00 179.25 180.05 3hnn h GLN 253 N 1.08 0.19 -0.25 0.00 5.75 -0.93 -2.53 115.11 118.41 3hnn h GLN 253 Ca 0.25 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.67 3hnn h GLN 253 Cb 0.20 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 3hnn h GLN 253 CO -0.02 0.38 0.00 0.87 -2.65 0.00 0.00 178.83 177.41 3hnn h LYS 254 N 0.18 0.38 0.36 1.69 1.57 -1.00 0.18 116.57 119.91 3hnn h LYS 254 Ca 0.03 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3hnn h LYS 254 Cb 0.44 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3hnn h LYS 254 CO 0.03 0.41 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.07 3hnn h LEU 255 N 0.37 -0.40 -0.72 2.94 3.38 -1.39 -2.67 115.31 116.81 3hnn h LEU 255 Ca 0.08 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.98 3hnn h LEU 255 Cb 0.24 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3hnn h LEU 255 CO 0.01 -0.07 0.42 -0.33 0.09 0.00 0.00 178.44 178.56 3hnn h GLU 256 N -0.77 0.75 -0.71 1.13 4.39 -1.38 -2.55 114.58 115.43 3hnn h GLU 256 Ca -0.05 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.70 3hnn h GLU 256 Cb 0.51 -0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 28.92 3hnn h GLU 256 CO 0.08 0.49 0.36 0.45 -1.16 0.00 0.00 179.01 179.23 3hnn h HIS 257 N 0.77 0.64 0.00 4.33 3.86 -0.93 0.41 115.15 124.22 3hnn h HIS 257 Ca 0.32 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 3hnn h HIS 257 Cb 0.19 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3hnn h HIS 257 CO -0.06 0.23 0.09 1.58 0.86 0.00 0.00 177.93 180.62 3hnn n HIS 258 N -4.86 0.00 -2.92 2.45 -0.00 -0.96 -4.68 115.22 104.25 3hnn n HIS 258 Ca 0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.73 3hnn n HIS 258 Cb 0.28 -0.10 0.03 0.00 -0.00 0.00 0.00 29.99 30.19 3hnn n HIS 258 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3hnn n HIS 259 N -0.96 -1.17 -0.06 1.57 -0.00 0.14 -5.13 115.22 109.61 3hnn n HIS 259 Ca 0.00 0.40 0.00 0.00 -0.00 0.00 0.00 57.72 58.12 3hnn n HIS 259 Cb 0.09 -2.66 0.00 0.00 -0.00 0.00 0.00 29.99 27.41 3hnn n HIS 259 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95