#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hi4 s LYS 1 N 0.00 0.73 0.78 2.12 -2.85 -1.26 -4.93 119.74 114.33 1hi4 s LYS 1 Ca 0.00 -1.01 -0.13 0.00 -1.00 0.00 0.00 55.97 53.83 1hi4 s LYS 1 Cb 0.00 -0.46 0.07 0.00 -2.06 0.00 0.00 37.83 35.38 1hi4 s LYS 1 CO 0.00 0.08 1.18 -2.14 0.10 0.00 0.00 175.35 174.57 1hi4 s PRO 2 N -2.33 1.86 0.53 1.78 0.02 -1.26 -4.92 135.00 130.68 1hi4 s PRO 2 Ca -0.00 1.65 0.29 0.00 0.02 0.00 0.00 61.00 62.95 1hi4 s PRO 2 Cb -0.06 -1.81 1.48 0.00 0.02 0.00 0.00 34.50 34.13 1hi4 s PRO 2 CO -0.00 -2.03 2.08 -1.00 -0.33 0.00 0.00 177.00 175.72 1hi4 h PRO 3 N -0.79 0.00 0.00 5.54 0.13 -2.00 -3.03 132.00 131.85 1hi4 h PRO 3 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1hi4 h PRO 3 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1hi4 h PRO 3 CO 0.48 0.11 0.00 0.00 -0.23 0.00 0.00 178.00 178.35 1hi4 n GLN 4 N -3.57 0.03 -4.41 0.86 0.00 -1.26 -4.79 117.38 104.24 1hi4 n GLN 4 Ca -0.02 0.18 -0.32 0.00 0.00 0.00 0.00 57.00 56.84 1hi4 n GLN 4 Cb 0.24 -1.55 -0.10 0.00 0.00 0.00 0.00 30.24 28.83 1hi4 n GLN 4 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1hi4 s PHE 5 N -3.03 2.93 0.69 2.61 2.99 -1.15 -5.09 117.98 117.92 1hi4 s PHE 5 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 56.93 56.92 1hi4 s PHE 5 Cb 0.13 -1.62 0.04 0.00 0.00 0.00 0.00 43.02 41.57 1hi4 s PHE 5 CO 0.38 0.39 1.03 0.95 -0.00 0.00 0.00 175.22 177.98 1hi4 s THR 6 N -1.02 2.85 0.29 0.64 -4.23 -1.26 -4.83 115.64 108.08 1hi4 s THR 6 Ca 0.18 0.01 -0.01 0.00 -1.18 0.00 0.00 61.69 60.68 1hi4 s THR 6 Cb -0.11 -3.22 0.27 0.00 1.34 0.00 0.00 72.50 70.78 1hi4 s THR 6 CO 0.08 -0.26 1.94 -0.50 -0.54 0.00 0.00 174.62 175.34 1hi4 h TRP 7 N -0.58 1.07 -0.67 3.99 4.06 -1.93 -0.81 115.95 121.08 1hi4 h TRP 7 Ca -0.45 0.03 -0.08 0.00 2.06 0.00 0.00 58.89 60.45 1hi4 h TRP 7 Cb 1.29 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 29.06 1hi4 h TRP 7 CO 0.40 0.62 0.10 0.00 -3.56 0.00 0.00 178.44 176.01 1hi4 h ALA 8 N 1.48 0.92 -0.09 1.49 0.00 -1.87 0.80 119.26 121.99 1hi4 h ALA 8 Ca 0.35 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1hi4 h ALA 8 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1hi4 h ALA 8 CO -0.11 0.67 -0.46 1.96 0.00 0.00 0.00 179.25 181.31 1hi4 h GLN 9 N 1.03 0.21 -0.10 0.00 4.20 -1.69 -1.58 115.11 117.17 1hi4 h GLN 9 Ca 0.20 -0.11 -0.21 0.00 0.06 0.00 0.00 58.65 58.59 1hi4 h GLN 9 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1hi4 h GLN 9 CO 0.01 0.63 -0.79 2.35 -0.67 0.00 0.00 178.83 180.37 1hi4 h TRP 10 N 0.17 0.81 -0.62 2.96 -0.00 -0.88 -1.74 115.95 116.66 1hi4 h TRP 10 Ca 0.01 -0.37 -0.00 0.00 -0.00 0.00 0.00 58.89 58.53 1hi4 h TRP 10 Cb 0.88 -0.12 -0.03 0.00 -0.00 0.00 0.00 29.16 29.89 1hi4 h TRP 10 CO 0.01 1.17 0.38 0.35 -0.00 0.00 0.00 178.44 180.35 1hi4 h PHE 11 N 0.40 0.81 -0.77 2.65 3.57 -0.56 0.39 116.94 123.43 1hi4 h PHE 11 Ca -0.05 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1hi4 h PHE 11 Cb 1.39 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 1hi4 h PHE 11 CO 0.07 0.54 0.34 1.49 -2.23 0.00 0.00 178.31 178.52 1hi4 h GLU 12 N 0.84 1.13 -0.55 1.11 4.81 -1.19 0.20 114.58 120.93 1hi4 h GLU 12 Ca 0.22 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1hi4 h GLU 12 Cb -0.04 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 1hi4 h GLU 12 CO -0.04 0.90 0.02 1.15 -0.73 0.00 0.00 179.01 180.30 1hi4 h THR 13 N 1.10 1.26 0.22 0.32 2.02 -0.80 0.13 112.91 117.16 1hi4 h THR 13 Ca 0.26 -1.09 -0.34 0.00 0.77 0.00 0.00 66.41 66.01 1hi4 h THR 13 Cb 0.17 0.87 0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1hi4 h THR 13 CO -0.03 0.39 -1.55 1.56 0.37 0.00 0.00 175.52 176.27 1hi4 h GLN 14 N 0.85 0.47 0.00 6.66 4.20 -0.68 -3.41 115.11 123.21 1hi4 h GLN 14 Ca 0.16 -0.81 0.00 0.00 0.06 0.00 0.00 58.65 58.06 1hi4 h GLN 14 Cb 0.52 0.30 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1hi4 h GLN 14 CO 0.03 1.38 0.00 0.72 -0.67 0.00 0.00 178.83 180.29 1hi4 n HIS 15 N -3.66 0.00 0.00 2.96 8.25 0.68 -4.57 115.22 118.88 1hi4 n HIS 15 Ca -0.19 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 1hi4 n HIS 15 Cb 1.09 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 32.18 1hi4 n HIS 15 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1hi4 n ILE 16 N -0.17 0.00 -2.92 1.59 2.08 -0.85 -0.37 119.36 118.73 1hi4 n ILE 16 Ca 0.00 0.00 -0.44 0.00 0.56 0.00 0.00 62.75 62.87 1hi4 n ILE 16 Cb 0.12 -0.85 -0.01 0.00 -0.75 0.00 0.00 39.64 38.16 1hi4 n ILE 16 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1hi4 s ASN 17 N -4.52 6.93 -0.75 4.38 0.01 0.39 -4.82 114.94 116.55 1hi4 s ASN 17 Ca 0.00 -2.68 -0.25 0.00 -0.71 0.00 0.00 52.86 49.22 1hi4 s ASN 17 Cb 0.00 -2.41 0.05 0.00 0.41 0.00 0.00 41.25 39.29 1hi4 s ASN 17 CO 0.00 -0.87 1.21 -0.32 -1.51 0.00 0.00 177.10 175.61 1hi4 s MET 18 N 2.07 3.22 0.01 -0.60 1.75 -1.26 -4.86 119.30 119.64 1hi4 s MET 18 Ca 0.40 -0.53 0.02 0.00 -1.25 0.00 0.00 55.69 54.34 1hi4 s MET 18 Cb -0.03 -4.32 0.10 0.00 2.84 0.00 0.00 34.83 33.41 1hi4 s MET 18 CO -0.02 -2.06 1.06 0.25 -0.65 0.00 0.00 175.02 173.60 1hi4 n THR 19 N 6.28 1.88 -3.65 10.11 -2.24 -1.26 -4.54 114.28 120.87 1hi4 n THR 19 Ca 0.05 0.49 -0.14 0.00 -2.27 0.00 0.00 64.05 62.18 1hi4 n THR 19 Cb 0.48 -1.47 -0.08 0.00 -2.10 0.00 0.00 70.33 67.16 1hi4 n THR 19 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hi4 s SER 20 N -3.05 -0.64 0.00 3.42 0.15 -1.26 -4.94 113.70 107.38 1hi4 s SER 20 Ca 0.00 1.17 0.16 0.00 0.70 0.00 0.00 55.95 57.99 1hi4 s SER 20 Cb 0.01 1.17 0.74 0.00 -1.71 0.00 0.00 66.02 66.23 1hi4 s SER 20 CO 0.03 -0.27 1.50 0.00 1.20 0.00 0.00 173.24 175.70 1hi4 n GLN 21 N 2.48 0.09 -3.44 5.44 6.02 -1.26 -4.40 117.38 122.31 1hi4 n GLN 21 Ca -0.15 0.19 -0.38 0.00 -0.01 0.00 0.00 57.00 56.66 1hi4 n GLN 21 Cb 0.56 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.24 1hi4 n GLN 21 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1hi4 s GLN 22 N -2.83 4.19 0.23 -1.09 -1.52 -1.26 -5.00 119.66 112.38 1hi4 s GLN 22 Ca 0.11 0.15 -0.07 0.00 -1.95 0.00 0.00 55.36 53.60 1hi4 s GLN 22 Cb 0.11 -3.51 0.22 0.00 -0.22 0.00 0.00 33.01 29.60 1hi4 s GLN 22 CO 0.28 0.03 1.89 0.00 -0.25 0.00 0.00 175.29 177.24 1hi4 h THR 24 N 1.26 0.84 -0.11 0.00 2.02 -1.90 0.21 112.91 115.24 1hi4 h THR 24 Ca 0.33 -0.14 -0.17 0.00 0.77 0.00 0.00 66.41 67.20 1hi4 h THR 24 Cb -0.09 0.40 0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1hi4 h THR 24 CO -0.07 0.07 -0.61 0.78 0.37 0.00 0.00 175.52 176.06 1hi4 h ASN 25 N 0.41 0.72 -0.89 4.18 2.35 -1.88 -3.07 115.58 117.41 1hi4 h ASN 25 Ca 0.26 -0.65 0.02 0.00 -0.55 0.00 0.00 56.30 55.38 1hi4 h ASN 25 Cb 0.26 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.37 1hi4 h ASN 25 CO -0.24 1.26 0.58 0.00 -1.65 0.00 0.00 177.43 177.38 1hi4 h ALA 26 N 0.48 1.15 0.00 -0.83 0.00 -0.98 -2.55 119.26 116.53 1hi4 h ALA 26 Ca -0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1hi4 h ALA 26 Cb 1.26 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1hi4 h ALA 26 CO 0.13 0.46 -0.23 0.52 0.00 0.00 0.00 179.25 180.13 1hi4 h MET 27 N 1.15 0.00 -0.31 0.00 2.86 -0.62 -2.97 114.93 115.04 1hi4 h MET 27 Ca 0.34 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 58.02 1hi4 h MET 27 Cb -0.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1hi4 h MET 27 CO -0.10 0.23 0.21 1.96 1.06 0.00 0.00 176.91 180.27 1hi4 h GLN 28 N 0.00 0.24 -0.05 1.72 4.20 -1.35 0.13 115.11 120.01 1hi4 h GLN 28 Ca -0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1hi4 h GLN 28 Cb 0.65 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 1hi4 h GLN 28 CO 0.03 0.16 0.01 0.28 -0.67 0.00 0.00 178.83 178.64 1hi4 h VAL 29 N 0.25 1.21 -0.28 -0.54 2.07 -1.64 0.15 116.25 117.47 1hi4 h VAL 29 Ca 0.13 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1hi4 h VAL 29 Cb 0.20 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1hi4 h VAL 29 CO -0.03 0.18 0.10 0.40 0.02 0.00 0.00 177.57 178.24 1hi4 h ILE 30 N -0.17 1.19 -0.67 4.57 2.04 -1.52 -2.49 117.51 120.46 1hi4 h ILE 30 Ca 0.01 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 1hi4 h ILE 30 Cb 0.27 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1hi4 h ILE 30 CO 0.00 0.20 0.20 0.78 0.00 0.00 0.00 178.15 179.32 1hi4 h ASN 31 N 0.29 0.99 0.48 1.72 2.35 -0.72 -0.31 115.58 120.38 1hi4 h ASN 31 Ca 0.09 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 1hi4 h ASN 31 Cb 0.21 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1hi4 h ASN 31 CO -0.01 0.94 -0.28 0.78 -1.65 0.00 0.00 177.43 177.21 1hi4 h ASN 32 N 0.98 0.00 0.20 5.81 2.35 -0.67 -0.98 115.58 123.27 1hi4 h ASN 32 Ca 0.21 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.63 1hi4 h ASN 32 Cb 0.32 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.71 1hi4 h ASN 32 CO -0.00 0.28 -1.60 1.88 -1.65 0.00 0.00 177.43 176.34 1hi4 h TYR 33 N 0.00 0.77 -0.35 1.19 0.05 -0.93 -3.35 116.97 114.35 1hi4 h TYR 33 Ca -0.00 -0.56 0.00 0.00 0.05 0.00 0.00 58.73 58.21 1hi4 h TYR 33 Cb 0.60 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1hi4 h TYR 33 CO 0.00 1.62 0.00 0.00 -1.05 0.00 0.00 178.16 178.73 1hi4 n GLN 34 N -3.69 2.18 -3.73 4.88 10.64 -0.18 -4.56 117.38 122.92 1hi4 n GLN 34 Ca -0.22 -1.79 -0.25 0.00 -1.83 0.00 0.00 57.00 52.91 1hi4 n GLN 34 Cb 1.06 -1.45 0.03 0.00 -0.86 0.00 0.00 30.24 29.01 1hi4 n GLN 34 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1hi4 n ARG 35 N 0.99 -3.28 0.00 2.61 5.12 -0.39 -4.96 116.66 116.76 1hi4 n ARG 35 Ca 0.18 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.63 1hi4 n ARG 35 Cb 0.48 -4.76 0.00 0.00 -1.16 0.00 0.00 32.46 27.02 1hi4 n ARG 35 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1hi4 n ARG 36 N -4.21 0.00 -2.99 5.56 1.85 -1.13 -5.08 116.66 110.67 1hi4 n ARG 36 Ca -0.23 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.19 1hi4 n ARG 36 Cb 0.65 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 32.02 1hi4 n ARG 36 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1hi4 n LYS 38 N 6.96 1.97 -0.11 0.00 4.81 -1.26 -4.91 118.16 125.62 1hi4 n LYS 38 Ca -0.05 0.70 -0.13 0.00 -0.87 0.00 0.00 58.31 57.96 1hi4 n LYS 38 Cb 0.45 -2.32 -0.03 0.00 0.02 0.00 0.00 35.03 33.15 1hi4 n LYS 38 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1hi4 h ASN 39 N 3.79 0.81 -4.13 3.14 -0.00 -1.95 -3.41 115.58 113.83 1hi4 h ASN 39 Ca -0.45 -0.45 -0.20 0.00 -0.00 0.00 0.00 56.30 55.21 1hi4 h ASN 39 Cb 1.28 -0.23 -0.25 0.00 -0.00 0.00 0.00 38.32 39.12 1hi4 h ASN 39 CO 0.72 1.09 -0.64 -1.10 -0.00 0.00 0.00 177.43 177.50 1hi4 s GLN 40 N -4.45 0.16 -0.28 6.67 -0.21 -1.26 -0.89 119.66 119.40 1hi4 s GLN 40 Ca -0.12 -0.10 -0.18 0.00 0.02 0.00 0.00 55.36 54.98 1hi4 s GLN 40 Cb 0.09 0.07 0.08 0.00 1.00 0.00 0.00 33.01 34.25 1hi4 s GLN 40 CO 0.84 -0.03 0.71 1.21 -2.12 0.00 0.00 175.29 175.90 1hi4 s ASN 41 N -0.41 -0.89 -0.16 5.90 2.47 -0.58 -5.01 114.94 116.26 1hi4 s ASN 41 Ca -0.05 1.48 -0.06 0.00 0.42 0.00 0.00 52.86 54.66 1hi4 s ASN 41 Cb -0.03 1.40 -0.04 0.00 -1.45 0.00 0.00 41.25 41.13 1hi4 s ASN 41 CO 0.00 -0.24 0.03 -0.89 -3.72 0.00 0.00 177.10 172.28 1hi4 s THR 42 N 1.34 4.49 -0.19 -5.21 2.01 -1.26 0.05 115.64 116.87 1hi4 s THR 42 Ca -0.08 -0.15 -0.06 0.00 0.31 0.00 0.00 61.69 61.72 1hi4 s THR 42 Cb -0.05 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 1hi4 s THR 42 CO -0.15 0.49 0.01 -0.36 -0.69 0.00 0.00 174.62 173.92 1hi4 s PHE 43 N 0.19 3.10 -0.19 4.92 0.08 0.58 -4.34 117.98 122.31 1hi4 s PHE 43 Ca 0.02 -0.26 -0.19 0.00 0.12 0.00 0.00 56.93 56.63 1hi4 s PHE 43 Cb -0.13 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 1hi4 s PHE 43 CO 0.01 -0.09 0.53 -0.51 -0.10 0.00 0.00 175.22 175.06 1hi4 s LEU 44 N 0.72 4.16 -1.39 -0.37 1.43 0.50 -0.84 118.68 122.89 1hi4 s LEU 44 Ca 0.01 0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 53.68 1hi4 s LEU 44 Cb -0.14 -2.73 0.08 0.00 0.03 0.00 0.00 46.19 43.43 1hi4 s LEU 44 CO 0.02 -0.18 2.07 0.18 0.23 0.00 0.00 176.35 178.67 1hi4 n LEU 45 N 4.72 6.54 -4.04 1.79 4.77 -0.35 -4.61 117.00 125.82 1hi4 n LEU 45 Ca -0.05 -4.24 -0.12 0.00 -0.03 0.00 0.00 56.01 51.58 1hi4 n LEU 45 Cb 0.50 -1.63 -0.05 0.00 -2.33 0.00 0.00 43.42 39.92 1hi4 n LEU 45 CO 0.42 1.04 0.16 0.28 -1.33 0.00 0.00 177.39 177.96 1hi4 s THR 46 N 2.64 0.00 0.25 -5.08 -1.32 -1.26 -4.48 115.64 106.38 1hi4 s THR 46 Ca 0.46 -1.51 -0.02 0.00 -1.21 0.00 0.00 61.69 59.41 1hi4 s THR 46 Cb 0.11 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.58 1hi4 s THR 46 CO -0.05 0.00 0.46 0.42 -2.21 0.00 0.00 174.62 173.24 1hi4 s THR 47 N -3.46 5.14 0.19 5.08 -4.23 -1.26 -4.95 115.64 112.15 1hi4 s THR 47 Ca 0.27 -0.25 -0.12 0.00 -1.18 0.00 0.00 61.69 60.41 1hi4 s THR 47 Cb -0.00 -3.75 0.11 0.00 1.34 0.00 0.00 72.50 70.19 1hi4 s THR 47 CO 0.15 -0.27 1.81 0.15 -0.54 0.00 0.00 174.62 175.92 1hi4 h PHE 48 N 1.74 0.62 -0.93 3.99 3.57 -1.98 -1.24 116.94 122.71 1hi4 h PHE 48 Ca -0.48 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.09 1hi4 h PHE 48 Cb 1.19 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.69 1hi4 h PHE 48 CO 0.55 0.32 0.61 0.00 -2.23 0.00 0.00 178.31 177.56 1hi4 h ALA 49 N 1.29 1.44 -0.50 2.41 0.00 -1.99 -0.67 119.26 121.24 1hi4 h ALA 49 Ca 0.25 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1hi4 h ALA 49 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1hi4 h ALA 49 CO -0.14 0.45 0.15 -0.91 0.00 0.00 0.00 179.25 178.80 1hi4 h ASN 50 N 1.13 0.73 -0.43 0.00 2.35 -1.65 -2.19 115.58 115.52 1hi4 h ASN 50 Ca 0.38 -0.21 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 1hi4 h ASN 50 Cb 0.09 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1hi4 h ASN 50 CO -0.13 0.74 -0.17 0.58 -1.65 0.00 0.00 177.43 176.80 1hi4 h VAL 51 N 0.68 1.28 -0.88 2.81 2.07 -0.80 -2.23 116.25 119.16 1hi4 h VAL 51 Ca 0.16 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.44 1hi4 h VAL 51 Cb 0.27 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 1hi4 h VAL 51 CO -0.00 0.44 0.55 0.58 0.02 0.00 0.00 177.57 179.16 1hi4 h VAL 52 N 0.69 1.04 -0.10 2.57 2.07 -1.04 -0.83 116.25 120.66 1hi4 h VAL 52 Ca 0.10 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 1hi4 h VAL 52 Cb 0.73 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1hi4 h VAL 52 CO 0.06 0.18 -0.30 0.78 0.02 0.00 0.00 177.57 178.31 1hi4 h ASN 53 N 1.00 0.18 0.42 0.57 2.35 -1.15 -0.78 115.58 118.17 1hi4 h ASN 53 Ca 0.39 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 56.02 1hi4 h ASN 53 Cb 0.18 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1hi4 h ASN 53 CO -0.18 0.48 -0.28 0.58 -1.65 0.00 0.00 177.43 176.39 1hi4 h VAL 54 N 0.16 0.99 0.00 2.81 2.07 -0.59 0.21 116.25 121.91 1hi4 h VAL 54 Ca 0.02 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1hi4 h VAL 54 Cb 0.62 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1hi4 h VAL 54 CO 0.04 0.27 0.00 0.00 0.02 0.00 0.00 177.57 177.91 1hi4 n GLY 56 N -0.80 -0.85 3.84 0.00 0.00 0.74 -4.88 105.19 103.24 1hi4 n GLY 56 Ca -0.01 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 1hi4 n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hi4 s ASN 57 N -2.51 4.87 0.32 1.61 0.01 0.15 -4.95 114.94 114.44 1hi4 s ASN 57 Ca 0.27 1.22 -0.27 0.00 -0.71 0.00 0.00 52.86 53.36 1hi4 s ASN 57 Cb 0.20 -1.98 -0.13 0.00 0.41 0.00 0.00 41.25 39.75 1hi4 s ASN 57 CO 0.50 -1.72 1.06 -2.65 -1.51 0.00 0.00 177.10 172.78 1hi4 n PRO 58 N -3.26 1.51 -2.12 -0.60 -0.02 -1.26 -4.91 135.00 124.33 1hi4 n PRO 58 Ca 0.07 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.70 1hi4 n PRO 58 Cb 0.57 -1.97 -0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1hi4 n PRO 58 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1hi4 s ASN 59 N -0.53 6.19 0.13 2.55 -0.87 -1.26 -4.49 114.94 116.66 1hi4 s ASN 59 Ca 0.58 2.51 -0.06 0.00 -1.57 0.00 0.00 52.86 54.33 1hi4 s ASN 59 Cb -0.65 -2.62 -0.02 0.00 -0.02 0.00 0.00 41.25 37.93 1hi4 s ASN 59 CO 0.60 -0.92 0.17 0.00 -2.57 0.00 0.00 177.10 174.39 1hi4 s MET 60 N -2.45 0.99 0.23 -0.60 0.23 0.24 -4.99 119.30 112.96 1hi4 s MET 60 Ca 0.60 -1.22 -0.30 0.00 -1.03 0.00 0.00 55.69 53.74 1hi4 s MET 60 Cb -0.34 0.32 -0.09 0.00 -1.53 0.00 0.00 34.83 33.18 1hi4 s MET 60 CO 0.43 -0.32 1.28 0.99 -2.03 0.00 0.00 175.02 175.36 1hi4 s THR 61 N -3.97 3.16 -0.28 3.16 2.01 -1.26 -2.56 115.64 115.90 1hi4 s THR 61 Ca 0.16 1.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.89 1hi4 s THR 61 Cb 0.05 -3.65 -0.00 0.00 0.01 0.00 0.00 72.50 68.91 1hi4 s THR 61 CO -0.02 0.18 1.35 0.00 -0.69 0.00 0.00 174.62 175.44 1hi4 h PRO 63 N 9.43 0.37 -0.16 0.00 0.11 -1.92 0.19 132.00 140.03 1hi4 h PRO 63 Ca -0.27 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.71 1hi4 h PRO 63 Cb 1.11 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1hi4 h PRO 63 CO 1.02 0.24 -0.37 0.66 -0.21 0.00 0.00 178.00 179.34 1hi4 h SER 64 N 0.38 0.35 -3.14 -2.05 4.64 -1.91 -3.41 113.55 108.41 1hi4 h SER 64 Ca 0.65 -0.14 -0.53 0.00 -0.47 0.00 0.00 61.79 61.30 1hi4 h SER 64 Cb 1.36 -0.10 -0.40 0.00 -0.31 0.00 0.00 62.40 62.95 1hi4 h SER 64 CO -0.57 0.70 -0.76 0.21 -0.87 0.00 0.00 176.83 175.53 1hi4 s ASN 65 N -6.86 3.23 0.47 4.97 3.84 0.66 -4.99 114.94 116.26 1hi4 s ASN 65 Ca -0.05 -1.07 0.32 0.00 0.21 0.00 0.00 52.86 52.26 1hi4 s ASN 65 Cb 0.13 -0.58 1.68 0.00 -0.55 0.00 0.00 41.25 41.93 1hi4 s ASN 65 CO 0.78 -0.36 1.98 0.11 -2.79 0.00 0.00 177.10 176.82 1hi4 h LYS 66 N 8.26 0.00 -0.00 0.43 1.79 -1.79 -1.01 116.57 124.24 1hi4 h LYS 66 Ca -0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1hi4 h LYS 66 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1hi4 h LYS 66 CO 0.38 0.00 -0.24 0.25 -1.08 0.00 0.00 179.45 178.76 1hi4 n THR 67 N -2.66 0.00 -3.91 -0.16 -2.24 -1.26 -4.86 114.28 99.19 1hi4 n THR 67 Ca -0.02 -0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.35 1hi4 n THR 67 Cb 0.09 0.11 -0.09 0.00 -2.10 0.00 0.00 70.33 68.34 1hi4 n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1hi4 s ARG 68 N -2.67 3.93 -0.11 -0.78 1.81 -0.38 -4.98 118.95 115.76 1hi4 s ARG 68 Ca 0.21 -0.27 0.14 0.00 -1.72 0.00 0.00 55.73 54.10 1hi4 s ARG 68 Cb 0.19 -3.26 0.34 0.00 -0.45 0.00 0.00 34.95 31.76 1hi4 s ARG 68 CO 0.55 0.38 1.24 1.17 -0.68 0.00 0.00 175.30 177.96 1hi4 n LYS 69 N 3.24 2.29 -0.79 3.54 3.00 -1.26 -1.19 118.16 126.99 1hi4 n LYS 69 Ca -0.17 -2.46 0.06 0.00 -0.00 0.00 0.00 58.31 55.75 1hi4 n LYS 69 Cb 0.53 -1.52 0.36 0.00 0.00 0.00 0.00 35.03 34.39 1hi4 n LYS 69 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1hi4 n ASN 70 N -0.74 5.18 -4.92 3.14 6.94 -1.26 -3.97 115.26 119.62 1hi4 n ASN 70 Ca 0.15 -2.79 -0.26 0.00 -0.02 0.00 0.00 54.58 51.66 1hi4 n ASN 70 Cb 0.65 -0.66 -0.02 0.00 -2.36 0.00 0.00 39.78 37.39 1hi4 n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hi4 s HIS 72 N -2.32 -0.18 -0.03 0.00 3.76 0.21 -0.59 115.29 116.14 1hi4 s HIS 72 Ca 0.43 0.46 -0.19 0.00 -0.15 0.00 0.00 55.06 55.61 1hi4 s HIS 72 Cb -0.10 0.01 -0.05 0.00 1.11 0.00 0.00 32.58 33.55 1hi4 s HIS 72 CO 0.36 -0.12 0.53 -1.58 -0.85 0.00 0.00 174.74 173.08 1hi4 s HIS 73 N 0.52 3.64 0.57 1.40 2.46 -1.26 -1.19 115.29 121.43 1hi4 s HIS 73 Ca -0.04 1.08 0.27 0.00 0.47 0.00 0.00 55.06 56.84 1hi4 s HIS 73 Cb -0.05 -2.54 1.69 0.00 -0.13 0.00 0.00 32.58 31.55 1hi4 s HIS 73 CO -0.02 0.35 2.22 0.66 -2.47 0.00 0.00 174.74 175.48 1hi4 h SER 74 N 5.79 0.00 0.00 9.88 4.64 -1.43 -3.47 113.55 128.96 1hi4 h SER 74 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1hi4 h SER 74 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1hi4 h SER 74 CO 0.70 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.28 1hi4 n GLY 75 N -1.33 2.13 3.18 -0.77 0.00 -1.26 -4.90 105.19 102.24 1hi4 n GLY 75 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1hi4 n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hi4 s SER 76 N 0.00 1.73 0.36 1.61 0.01 -1.26 -5.14 113.70 111.02 1hi4 s SER 76 Ca 0.00 -0.61 -0.24 0.00 1.31 0.00 0.00 55.95 56.41 1hi4 s SER 76 Cb 0.00 -0.06 -0.10 0.00 0.21 0.00 0.00 66.02 66.07 1hi4 s SER 76 CO 0.00 -0.06 0.94 -1.10 0.41 0.00 0.00 173.24 173.42 1hi4 s GLN 77 N -1.72 4.43 0.11 12.44 -0.21 -1.26 -4.62 119.66 128.83 1hi4 s GLN 77 Ca -0.01 1.22 0.06 0.00 0.02 0.00 0.00 55.36 56.65 1hi4 s GLN 77 Cb -0.10 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.32 1hi4 s GLN 77 CO 0.02 0.16 -0.14 0.14 -2.12 0.00 0.00 175.29 173.35 1hi4 s VAL 78 N -1.83 1.31 0.46 1.09 -7.23 0.05 -4.87 120.40 109.38 1hi4 s VAL 78 Ca 0.55 -1.63 -0.22 0.00 -1.81 0.00 0.00 61.98 58.86 1hi4 s VAL 78 Cb -0.15 -1.45 -0.08 0.00 0.56 0.00 0.00 36.38 35.27 1hi4 s VAL 78 CO 0.19 -0.36 1.09 -2.84 -0.31 0.00 0.00 175.10 172.87 1hi4 s PRO 79 N -2.46 3.85 0.18 4.82 0.02 -1.26 -1.59 135.00 138.56 1hi4 s PRO 79 Ca 0.07 1.56 -0.13 0.00 0.02 0.00 0.00 61.00 62.51 1hi4 s PRO 79 Cb -0.06 -2.31 0.01 0.00 0.02 0.00 0.00 34.50 32.16 1hi4 s PRO 79 CO 0.03 -0.43 0.40 -0.48 -0.33 0.00 0.00 177.00 176.20 1hi4 s LEU 80 N -3.13 0.52 -0.11 -5.54 0.05 0.26 -1.21 118.68 109.53 1hi4 s LEU 80 Ca 0.64 -0.67 0.02 0.00 0.05 0.00 0.00 54.13 54.17 1hi4 s LEU 80 Cb -0.22 1.67 0.02 0.00 -2.05 0.00 0.00 46.19 45.60 1hi4 s LEU 80 CO 0.27 -0.97 -0.15 -0.63 -0.55 0.00 0.00 176.35 174.32 1hi4 s ILE 81 N -3.92 1.49 -0.24 1.48 1.01 -0.02 -1.75 121.20 119.25 1hi4 s ILE 81 Ca 0.13 -0.63 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 1hi4 s ILE 81 Cb 0.01 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 1hi4 s ILE 81 CO -0.02 0.44 0.14 -2.28 0.00 0.00 0.00 174.94 173.22 1hi4 s HIS 82 N 1.04 3.27 -0.19 3.97 2.46 -0.28 -0.31 115.29 125.26 1hi4 s HIS 82 Ca -0.05 0.12 -0.10 0.00 0.47 0.00 0.00 55.06 55.49 1hi4 s HIS 82 Cb -0.15 -2.26 -0.05 0.00 -0.13 0.00 0.00 32.58 30.00 1hi4 s HIS 82 CO -0.02 -0.01 0.15 0.00 -2.47 0.00 0.00 174.74 172.39 1hi4 s ASN 84 N 0.22 2.18 0.06 0.00 0.01 -0.82 -1.53 114.94 115.06 1hi4 s ASN 84 Ca 0.10 -0.38 -0.30 0.00 -0.71 0.00 0.00 52.86 51.57 1hi4 s ASN 84 Cb -0.11 -1.00 -0.09 0.00 0.41 0.00 0.00 41.25 40.46 1hi4 s ASN 84 CO -0.01 0.06 1.85 -0.22 -1.51 0.00 0.00 177.10 177.27 1hi4 s LEU 85 N 0.64 4.40 -0.10 0.60 2.96 -0.07 -0.68 118.68 126.43 1hi4 s LEU 85 Ca -0.14 2.63 0.09 0.00 -0.22 0.00 0.00 54.13 56.48 1hi4 s LEU 85 Cb -0.16 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.86 1hi4 s LEU 85 CO 0.04 -1.00 0.03 0.35 -1.32 0.00 0.00 176.35 174.45 1hi4 n THR 86 N 5.17 0.67 -3.58 3.68 -2.24 -0.29 -4.89 114.28 112.79 1hi4 n THR 86 Ca 0.18 -0.41 -0.29 0.00 -2.27 0.00 0.00 64.05 61.26 1hi4 n THR 86 Cb 0.40 -0.74 -0.14 0.00 -2.10 0.00 0.00 70.33 67.75 1hi4 n THR 86 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1hi4 s THR 87 N -2.24 0.37 0.32 4.28 2.01 -0.97 -4.97 115.64 114.45 1hi4 s THR 87 Ca -0.05 -1.41 -0.23 0.00 0.31 0.00 0.00 61.69 60.31 1hi4 s THR 87 Cb 0.03 -1.29 -0.10 0.00 0.01 0.00 0.00 72.50 71.15 1hi4 s THR 87 CO 0.40 -0.82 0.88 -2.16 -0.69 0.00 0.00 174.62 172.23 1hi4 s PRO 88 N 1.47 4.41 -0.45 4.92 0.04 -1.26 -1.77 135.00 142.36 1hi4 s PRO 88 Ca 0.13 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.37 1hi4 s PRO 88 Cb -0.19 -2.67 0.18 0.00 0.04 0.00 0.00 34.50 31.85 1hi4 s PRO 88 CO -0.18 0.24 0.48 -1.12 0.04 0.00 0.00 177.00 176.46 1hi4 s SER 89 N -1.77 0.36 0.00 6.66 0.01 -1.26 -4.96 113.70 112.74 1hi4 s SER 89 Ca 0.51 -2.57 0.00 0.00 1.31 0.00 0.00 55.95 55.21 1hi4 s SER 89 Cb -0.16 0.43 0.01 0.00 0.21 0.00 0.00 66.02 66.52 1hi4 s SER 89 CO 0.21 -0.13 0.76 -2.65 0.41 0.00 0.00 173.24 171.83 1hi4 n PRO 90 N 2.90 0.00 -0.00 12.44 -0.02 -1.26 -1.26 135.00 147.80 1hi4 n PRO 90 Ca 0.25 0.24 0.05 0.00 -2.02 0.00 0.00 63.50 62.02 1hi4 n PRO 90 Cb 0.51 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.43 1hi4 n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hi4 n GLN 91 N -1.24 3.63 -2.96 -0.52 -0.00 -1.26 -4.83 117.38 110.20 1hi4 n GLN 91 Ca 0.00 -0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 56.90 1hi4 n GLN 91 Cb 0.00 -0.98 -0.02 0.00 -0.00 0.00 0.00 30.24 29.24 1hi4 n GLN 91 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1hi4 s ASN 92 N -1.97 -0.64 0.27 2.61 3.04 -0.39 -5.05 114.94 112.81 1hi4 s ASN 92 Ca 0.04 -2.04 -0.01 0.00 0.04 0.00 0.00 52.86 50.88 1hi4 s ASN 92 Cb 0.07 1.26 0.61 0.00 -1.54 0.00 0.00 41.25 41.66 1hi4 s ASN 92 CO 0.41 -0.09 1.65 0.40 -3.04 0.00 0.00 177.10 176.43 1hi4 h ILE 93 N 4.91 0.36 0.00 -5.21 2.04 -1.86 -0.58 117.51 117.16 1hi4 h ILE 93 Ca 0.11 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1hi4 h ILE 93 Cb 1.06 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1hi4 h ILE 93 CO 0.11 0.04 0.00 -1.54 0.00 0.00 0.00 178.15 176.76 1hi4 n SER 94 N -5.24 0.24 -0.04 1.72 3.41 -1.26 -1.06 113.62 111.39 1hi4 n SER 94 Ca 0.19 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.53 1hi4 n SER 94 Cb 0.60 -0.64 0.29 0.00 -0.26 0.00 0.00 64.21 64.20 1hi4 n SER 94 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1hi4 n ASN 95 N -1.82 0.56 -4.75 4.04 4.13 -0.22 -4.92 115.26 112.27 1hi4 n ASN 95 Ca -0.00 -0.32 -0.41 0.00 1.68 0.00 0.00 54.58 55.52 1hi4 n ASN 95 Cb 0.03 0.20 -0.02 0.00 -1.54 0.00 0.00 39.78 38.45 1hi4 n ASN 95 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hi4 s ARG 97 N -0.54 1.84 0.15 0.00 0.52 -0.73 -4.92 118.95 115.27 1hi4 s ARG 97 Ca 0.62 -1.20 0.02 0.00 -0.52 0.00 0.00 55.73 54.64 1hi4 s ARG 97 Cb -0.46 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.84 1hi4 s ARG 97 CO 0.47 0.47 -0.01 0.71 0.02 0.00 0.00 175.30 176.96 1hi4 s TYR 98 N -1.27 1.09 0.22 -0.53 1.51 -1.26 -1.14 117.35 115.97 1hi4 s TYR 98 Ca 0.19 -1.01 0.07 0.00 -1.01 0.00 0.00 57.07 55.31 1hi4 s TYR 98 Cb -0.10 -0.62 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1hi4 s TYR 98 CO 0.11 -0.22 0.15 0.00 -1.11 0.00 0.00 175.55 174.47 1hi4 s ALA 99 N -3.68 3.51 -0.06 3.71 0.00 0.14 -4.39 121.76 120.98 1hi4 s ALA 99 Ca 0.21 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.83 1hi4 s ALA 99 Cb 0.06 -1.24 -0.00 0.00 0.00 0.00 0.00 23.12 21.93 1hi4 s ALA 99 CO 0.01 0.34 -0.20 1.14 0.00 0.00 0.00 175.76 177.05 1hi4 s GLN 100 N -3.56 2.29 -0.27 0.00 0.00 -1.26 -1.95 119.66 114.91 1hi4 s GLN 100 Ca 0.32 -0.73 0.01 0.00 -0.00 0.00 0.00 55.36 54.96 1hi4 s GLN 100 Cb -0.08 -1.88 0.07 0.00 0.00 0.00 0.00 33.01 31.12 1hi4 s GLN 100 CO 0.24 0.24 -0.00 0.99 0.00 0.00 0.00 175.29 176.75 1hi4 s THR 101 N 0.14 1.52 0.28 3.63 2.01 0.30 -4.95 115.64 118.57 1hi4 s THR 101 Ca -0.09 -1.44 -0.29 0.00 0.31 0.00 0.00 61.69 60.19 1hi4 s THR 101 Cb -0.14 -1.91 -0.09 0.00 0.01 0.00 0.00 72.50 70.36 1hi4 s THR 101 CO 0.04 -0.30 1.02 -2.16 -0.69 0.00 0.00 174.62 172.54 1hi4 s PRO 102 N 1.36 4.65 0.32 4.92 0.04 -1.26 -1.13 135.00 143.91 1hi4 s PRO 102 Ca 0.00 1.61 -0.17 0.00 0.04 0.00 0.00 61.00 62.48 1hi4 s PRO 102 Cb -0.19 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.28 1hi4 s PRO 102 CO -0.10 0.28 0.72 0.00 0.04 0.00 0.00 177.00 177.94 1hi4 s ALA 103 N -1.27 -0.86 -0.26 8.56 0.00 -0.72 -4.98 121.76 122.22 1hi4 s ALA 103 Ca 0.45 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 1hi4 s ALA 103 Cb -0.27 0.81 0.08 0.00 0.00 0.00 0.00 23.12 23.74 1hi4 s ALA 103 CO 0.35 -0.99 0.05 -0.80 0.00 0.00 0.00 175.76 174.36 1hi4 s ASN 104 N -3.00 3.68 0.27 0.00 -0.87 -1.26 -0.57 114.94 113.18 1hi4 s ASN 104 Ca 0.15 -1.31 0.00 0.00 -1.57 0.00 0.00 52.86 50.13 1hi4 s ASN 104 Cb -0.05 -0.87 -0.03 0.00 -0.02 0.00 0.00 41.25 40.28 1hi4 s ASN 104 CO 0.10 -0.34 0.26 -0.04 -2.57 0.00 0.00 177.10 174.50 1hi4 s MET 105 N 1.62 1.52 0.61 -0.60 -1.94 -0.62 -4.80 119.30 115.09 1hi4 s MET 105 Ca 0.03 -1.74 -0.08 0.00 -1.71 0.00 0.00 55.69 52.20 1hi4 s MET 105 Cb -0.18 0.33 -0.00 0.00 2.01 0.00 0.00 34.83 37.00 1hi4 s MET 105 CO -0.15 -0.56 0.95 -0.06 -0.01 0.00 0.00 175.02 175.19 1hi4 s PHE 106 N -3.76 3.36 0.04 -0.03 0.08 -1.26 -0.77 117.98 115.64 1hi4 s PHE 106 Ca 0.37 0.85 0.01 0.00 0.12 0.00 0.00 56.93 58.28 1hi4 s PHE 106 Cb 0.04 -2.77 -0.03 0.00 -0.57 0.00 0.00 43.02 39.69 1hi4 s PHE 106 CO 0.18 -0.83 -0.04 1.52 -0.10 0.00 0.00 175.22 175.94 1hi4 s TYR 107 N -3.08 0.44 -0.13 0.36 1.13 -1.26 -1.45 117.35 113.36 1hi4 s TYR 107 Ca 0.54 -0.62 0.02 0.00 -1.41 0.00 0.00 57.07 55.60 1hi4 s TYR 107 Cb -0.11 -0.29 0.02 0.00 -1.10 0.00 0.00 41.96 40.47 1hi4 s TYR 107 CO 0.48 -0.19 -0.17 0.42 -2.51 0.00 0.00 175.55 173.58 1hi4 s ILE 108 N -1.93 1.72 0.05 -3.49 1.01 0.26 -1.05 121.20 117.78 1hi4 s ILE 108 Ca -0.09 -0.76 0.09 0.00 0.00 0.00 0.00 60.65 59.89 1hi4 s ILE 108 Cb -0.06 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 1hi4 s ILE 108 CO -0.02 0.48 -0.25 0.68 0.00 0.00 0.00 174.94 175.83 1hi4 s VAL 109 N 1.06 2.07 -0.10 2.92 -7.23 -0.33 -0.89 120.40 117.91 1hi4 s VAL 109 Ca -0.03 -1.38 -0.13 0.00 -1.81 0.00 0.00 61.98 58.62 1hi4 s VAL 109 Cb -0.14 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 1hi4 s VAL 109 CO -0.04 0.32 0.32 0.00 -0.31 0.00 0.00 175.10 175.39 1hi4 s ALA 110 N -0.82 3.67 0.13 1.32 0.00 -0.29 0.68 121.76 126.45 1hi4 s ALA 110 Ca 0.11 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 51.77 1hi4 s ALA 110 Cb -0.10 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1hi4 s ALA 110 CO 0.02 0.31 -0.19 0.00 0.00 0.00 0.00 175.76 175.90 1hi4 s ASP 112 N -2.32 0.09 0.54 0.00 1.01 -0.55 -4.84 116.67 110.59 1hi4 s ASP 112 Ca 0.11 -1.16 -0.21 0.00 0.71 0.00 0.00 52.55 52.00 1hi4 s ASP 112 Cb -0.07 0.50 -0.05 0.00 1.01 0.00 0.00 42.92 44.31 1hi4 s ASP 112 CO 0.05 -1.02 1.25 0.20 0.21 0.00 0.00 175.17 175.86 1hi4 s ASN 113 N -3.09 5.49 0.91 0.27 0.01 -1.26 -1.08 114.94 116.19 1hi4 s ASN 113 Ca 0.30 2.49 -0.11 0.00 -0.71 0.00 0.00 52.86 54.83 1hi4 s ASN 113 Cb 0.03 -2.61 0.14 0.00 0.41 0.00 0.00 41.25 39.21 1hi4 s ASN 113 CO 0.11 -1.40 1.11 0.00 -1.51 0.00 0.00 177.10 175.41 1hi4 s ARG 114 N -3.01 1.10 -0.30 -0.60 1.70 0.26 -4.78 118.95 113.33 1hi4 s ARG 114 Ca 0.72 1.22 -0.29 0.00 -0.47 0.00 0.00 55.73 56.91 1hi4 s ARG 114 Cb -0.33 -1.76 -0.01 0.00 -0.57 0.00 0.00 34.95 32.27 1hi4 s ARG 114 CO 0.38 -2.46 1.60 0.34 -1.08 0.00 0.00 175.30 174.08 1hi4 s ASP 115 N -2.97 6.24 0.26 -2.89 -1.08 -1.26 -4.87 116.67 110.09 1hi4 s ASP 115 Ca 0.65 1.32 -0.02 0.00 -0.52 0.00 0.00 52.55 53.98 1hi4 s ASP 115 Cb -0.21 -2.53 0.52 0.00 -1.46 0.00 0.00 42.92 39.24 1hi4 s ASP 115 CO 0.58 -1.42 1.73 1.56 0.52 0.00 0.00 175.17 178.14 1hi4 h GLN 116 N 11.28 0.47 0.20 4.34 1.08 -1.91 -0.62 115.11 129.94 1hi4 h GLN 116 Ca -0.32 -0.03 -0.32 0.00 -1.45 0.00 0.00 58.65 56.54 1hi4 h GLN 116 Cb 1.14 -0.11 0.03 0.00 -0.05 0.00 0.00 27.48 28.50 1hi4 h GLN 116 CO 1.03 0.31 -1.37 0.00 -0.95 0.00 0.00 178.83 177.85 1hi4 h ARG 117 N 0.48 0.55 0.00 1.46 2.47 -2.03 -3.41 114.38 113.89 1hi4 h ARG 117 Ca 0.45 -0.85 -0.02 0.00 -1.26 0.00 0.00 59.98 58.31 1hi4 h ARG 117 Cb 0.71 0.30 -0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1hi4 h ARG 117 CO -0.42 1.40 -1.42 0.54 0.56 0.00 0.00 179.97 180.63 1hi4 n ARG 118 N -3.73 0.53 -2.99 0.04 1.74 -1.15 -5.00 116.66 106.11 1hi4 n ARG 118 Ca -0.15 -0.07 -0.39 0.00 -0.77 0.00 0.00 57.85 56.47 1hi4 n ARG 118 Cb 1.06 -1.21 -0.06 0.00 -1.02 0.00 0.00 32.46 31.23 1hi4 n ARG 118 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1hi4 s ASP 119 N -3.12 7.37 0.36 0.55 1.01 -0.25 -5.00 116.67 117.60 1hi4 s ASP 119 Ca -0.03 1.63 -0.28 0.00 0.71 0.00 0.00 52.55 54.58 1hi4 s ASP 119 Cb 0.05 -2.49 -0.11 0.00 1.01 0.00 0.00 42.92 41.38 1hi4 s ASP 119 CO 0.36 0.21 1.48 -2.16 0.21 0.00 0.00 175.17 175.26 1hi4 s PRO 120 N -1.18 4.13 0.55 8.23 0.04 -1.26 -4.80 135.00 140.72 1hi4 s PRO 120 Ca 0.36 2.54 0.37 0.00 0.04 0.00 0.00 61.00 64.30 1hi4 s PRO 120 Cb -0.23 -2.98 1.89 0.00 0.04 0.00 0.00 34.50 33.22 1hi4 s PRO 120 CO 0.26 -0.51 2.11 -1.00 0.04 0.00 0.00 177.00 177.90 1hi4 h PRO 121 N 3.23 0.00 -0.98 0.56 0.13 -1.94 -2.98 132.00 130.01 1hi4 h PRO 121 Ca -0.50 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.78 1hi4 h PRO 121 Cb 1.24 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.28 1hi4 h PRO 121 CO 0.66 0.00 0.62 0.37 -0.23 0.00 0.00 178.00 179.41 1hi4 h GLN 122 N 0.00 0.80 -3.63 0.86 4.15 -2.04 -3.33 115.11 111.92 1hi4 h GLN 122 Ca 0.00 -0.05 -0.68 0.00 0.77 0.00 0.00 58.65 58.70 1hi4 h GLN 122 Cb 0.12 -0.18 -0.37 0.00 0.21 0.00 0.00 27.48 27.26 1hi4 h GLN 122 CO 0.00 0.53 -0.48 0.71 -1.93 0.00 0.00 178.83 177.66 1hi4 s TYR 123 N -5.84 3.36 0.44 3.99 2.02 -1.13 -4.96 117.35 115.23 1hi4 s TYR 123 Ca -0.11 -2.86 0.13 0.00 -0.37 0.00 0.00 57.07 53.85 1hi4 s TYR 123 Cb 0.23 -3.06 1.01 0.00 -0.40 0.00 0.00 41.96 39.74 1hi4 s TYR 123 CO 0.80 -0.82 2.01 -1.00 -1.57 0.00 0.00 175.55 174.97 1hi4 h PRO 124 N 6.94 0.40 -5.32 -1.71 0.13 -1.83 -3.41 132.00 127.20 1hi4 h PRO 124 Ca -0.04 -0.02 -0.67 0.00 -0.87 0.00 0.00 66.00 64.39 1hi4 h PRO 124 Cb 0.94 -0.09 -0.31 0.00 0.13 0.00 0.00 31.00 31.67 1hi4 h PRO 124 CO 0.70 0.26 -0.85 0.08 -0.23 0.00 0.00 178.00 177.96 1hi4 s VAL 125 N -5.39 2.34 0.05 1.56 1.01 -1.26 -0.57 120.40 118.14 1hi4 s VAL 125 Ca -0.08 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1hi4 s VAL 125 Cb 0.19 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1hi4 s VAL 125 CO 0.74 0.55 -0.07 0.68 0.00 0.00 0.00 175.10 177.00 1hi4 s VAL 126 N 0.38 0.52 0.31 2.92 -7.23 -0.24 -4.90 120.40 112.16 1hi4 s VAL 126 Ca -0.16 -1.29 -0.28 0.00 -1.81 0.00 0.00 61.98 58.44 1hi4 s VAL 126 Cb -0.17 -0.86 -0.10 0.00 0.56 0.00 0.00 36.38 35.81 1hi4 s VAL 126 CO 0.07 -0.53 1.17 -2.16 -0.31 0.00 0.00 175.10 173.34 1hi4 s PRO 127 N -2.18 4.47 0.00 4.82 0.04 -1.26 -1.48 135.00 139.40 1hi4 s PRO 127 Ca -0.05 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1hi4 s PRO 127 Cb -0.06 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1hi4 s PRO 127 CO -0.01 0.02 0.00 1.33 0.04 0.00 0.00 177.00 178.38 1hi4 n VAL 128 N 0.89 0.00 -3.63 -0.36 0.24 0.27 -3.96 118.33 111.79 1hi4 n VAL 128 Ca 0.00 -0.34 -0.13 0.00 -2.04 0.00 0.00 64.34 61.83 1hi4 n VAL 128 Cb 0.44 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.74 1hi4 n VAL 128 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1hi4 s HIS 129 N -0.67 -0.70 -0.52 6.34 5.65 -1.14 -4.72 115.29 119.52 1hi4 s HIS 129 Ca 0.00 1.70 -0.18 0.00 0.25 0.00 0.00 55.06 56.84 1hi4 s HIS 129 Cb 0.00 0.30 0.08 0.00 -1.18 0.00 0.00 32.58 31.78 1hi4 s HIS 129 CO 0.00 -0.35 0.56 -1.17 -0.65 0.00 0.00 174.74 173.13 1hi4 s LEU 130 N 0.27 5.42 0.01 8.88 2.96 -1.26 -1.14 118.68 133.82 1hi4 s LEU 130 Ca 0.00 -1.27 -0.20 0.00 -0.22 0.00 0.00 54.13 52.44 1hi4 s LEU 130 Cb -0.05 -2.31 -0.20 0.00 0.50 0.00 0.00 46.19 44.13 1hi4 s LEU 130 CO -0.00 -0.87 1.17 -0.78 -1.32 0.00 0.00 176.35 174.54 1hi4 h ASP 131 N 8.95 0.46 -4.93 3.68 1.82 -1.36 -3.49 116.42 121.55 1hi4 h ASP 131 Ca -0.29 -0.68 0.03 0.00 -0.39 0.00 0.00 57.03 55.70 1hi4 h ASP 131 Cb 1.10 -0.14 -0.12 0.00 0.68 0.00 0.00 39.33 40.85 1hi4 h ASP 131 CO 0.98 1.06 0.29 -0.13 -1.61 0.00 0.00 179.24 179.83 1hi4 s ARG 132 N -3.53 1.23 -0.12 0.28 0.52 -1.03 -4.67 118.95 111.63 1hi4 s ARG 132 Ca -0.14 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 1hi4 s ARG 132 Cb 0.04 0.54 0.02 0.00 0.52 0.00 0.00 34.95 36.07 1hi4 s ARG 132 CO 0.79 -0.54 -0.12 0.96 0.02 0.00 0.00 175.30 176.41 1hi4 s ILE 133 N -3.61 1.31 -1.00 1.52 -4.36 -1.26 -0.58 121.20 113.23 1hi4 s ILE 133 Ca 0.03 -0.48 0.08 0.00 -0.26 0.00 0.00 60.65 60.02 1hi4 s ILE 133 Cb -0.02 -1.25 0.06 0.00 1.25 0.00 0.00 42.46 42.50 1hi4 s ILE 133 CO -0.09 0.41 0.75 2.30 0.24 0.00 0.00 174.94 178.55