#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hi2 s LYS 1 N 0.00 1.25 0.70 3.17 -2.85 -1.26 -4.94 119.74 115.81 1hi2 s LYS 1 Ca 0.00 -0.97 -0.17 0.00 -1.00 0.00 0.00 55.97 53.83 1hi2 s LYS 1 Cb 0.00 -1.39 0.02 0.00 -2.06 0.00 0.00 37.83 34.40 1hi2 s LYS 1 CO 0.00 0.34 1.27 -2.14 0.10 0.00 0.00 175.35 174.93 1hi2 s PRO 2 N -1.37 2.25 0.56 1.78 0.02 -1.26 -4.91 135.00 132.07 1hi2 s PRO 2 Ca 0.06 1.98 0.32 0.00 0.02 0.00 0.00 61.00 63.39 1hi2 s PRO 2 Cb -0.09 -1.82 1.65 0.00 0.02 0.00 0.00 34.50 34.26 1hi2 s PRO 2 CO 0.02 -1.81 2.13 -1.00 -0.33 0.00 0.00 177.00 176.01 1hi2 h PRO 3 N 0.09 0.00 0.00 5.54 0.13 -2.00 -2.93 132.00 132.84 1hi2 h PRO 3 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1hi2 h PRO 3 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1hi2 h PRO 3 CO 0.51 0.07 0.00 0.00 -0.23 0.00 0.00 178.00 178.35 1hi2 n GLN 4 N -3.45 0.41 -4.35 0.86 0.00 -1.26 -4.81 117.38 104.78 1hi2 n GLN 4 Ca -0.02 0.02 -0.34 0.00 0.00 0.00 0.00 57.00 56.67 1hi2 n GLN 4 Cb 0.21 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 28.86 1hi2 n GLN 4 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1hi2 s PHE 5 N -2.56 3.09 0.71 2.61 0.40 -1.11 -5.09 117.98 116.04 1hi2 s PHE 5 Ca 0.27 0.11 -0.07 0.00 -0.60 0.00 0.00 56.93 56.65 1hi2 s PHE 5 Cb 0.19 -1.71 0.07 0.00 0.51 0.00 0.00 43.02 42.08 1hi2 s PHE 5 CO 0.43 0.45 1.02 0.95 0.70 0.00 0.00 175.22 178.77 1hi2 s THR 6 N -0.99 2.26 0.30 0.64 -4.23 -1.26 -4.86 115.64 107.50 1hi2 s THR 6 Ca 0.17 -0.29 -0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1hi2 s THR 6 Cb -0.11 -2.98 0.18 0.00 1.34 0.00 0.00 72.50 70.93 1hi2 s THR 6 CO 0.07 0.00 1.87 -0.50 -0.54 0.00 0.00 174.62 175.52 1hi2 h TRP 7 N -0.63 0.82 -0.46 3.99 4.06 -1.94 -1.47 115.95 120.32 1hi2 h TRP 7 Ca -0.44 -0.05 -0.12 0.00 2.06 0.00 0.00 58.89 60.34 1hi2 h TRP 7 Cb 1.31 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 29.21 1hi2 h TRP 7 CO 0.23 0.66 -0.19 0.00 -3.56 0.00 0.00 178.44 175.58 1hi2 h ALA 8 N 1.41 0.80 -0.27 1.49 0.00 -1.88 0.17 119.26 120.99 1hi2 h ALA 8 Ca 0.18 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1hi2 h ALA 8 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1hi2 h ALA 8 CO -0.01 0.65 -0.29 1.96 0.00 0.00 0.00 179.25 181.56 1hi2 h GLN 9 N 0.80 0.54 -0.20 0.00 4.20 -1.79 -1.21 115.11 117.44 1hi2 h GLN 9 Ca 0.11 -0.22 -0.17 0.00 0.06 0.00 0.00 58.65 58.43 1hi2 h GLN 9 Cb 0.73 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 1hi2 h GLN 9 CO 0.06 0.77 -0.56 2.35 -0.67 0.00 0.00 178.83 180.78 1hi2 h TRP 10 N 0.47 0.79 -0.51 2.96 -0.00 -1.03 -1.39 115.95 117.24 1hi2 h TRP 10 Ca 0.06 -0.28 -0.01 0.00 -0.00 0.00 0.00 58.89 58.65 1hi2 h TRP 10 Cb 0.74 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 29.73 1hi2 h TRP 10 CO 0.03 1.04 0.27 0.35 -0.00 0.00 0.00 178.44 180.13 1hi2 h PHE 11 N 0.48 0.71 -0.71 2.65 3.57 -0.64 -0.05 116.94 122.95 1hi2 h PHE 11 Ca 0.01 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 1hi2 h PHE 11 Cb 1.12 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 1hi2 h PHE 11 CO 0.05 0.54 0.25 1.49 -2.23 0.00 0.00 178.31 178.41 1hi2 h GLU 12 N 0.68 1.09 -0.50 1.11 4.81 -1.05 0.51 114.58 121.23 1hi2 h GLU 12 Ca 0.18 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1hi2 h GLU 12 Cb 0.08 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1hi2 h GLU 12 CO -0.03 0.93 -0.01 1.15 -0.73 0.00 0.00 179.01 180.32 1hi2 h THR 13 N 1.04 1.26 0.10 0.32 2.02 -0.91 0.21 112.91 116.96 1hi2 h THR 13 Ca 0.23 -1.10 -0.27 0.00 0.77 0.00 0.00 66.41 66.04 1hi2 h THR 13 Cb 0.27 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1hi2 h THR 13 CO -0.01 0.39 -1.28 1.56 0.37 0.00 0.00 175.52 176.55 1hi2 h GLN 14 N 0.76 0.21 0.00 6.66 4.20 -0.88 -3.40 115.11 122.65 1hi2 h GLN 14 Ca 0.14 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1hi2 h GLN 14 Cb 0.54 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1hi2 h GLN 14 CO 0.03 1.13 0.00 0.72 -0.67 0.00 0.00 178.83 180.04 1hi2 n HIS 15 N -3.46 0.00 -0.00 2.96 8.25 0.16 -4.65 115.22 118.48 1hi2 n HIS 15 Ca -0.09 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.36 1hi2 n HIS 15 Cb 1.01 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.12 1hi2 n HIS 15 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1hi2 n ILE 16 N -0.60 0.04 -2.46 1.59 2.08 -0.69 -0.30 119.36 119.02 1hi2 n ILE 16 Ca 0.00 -0.01 -0.43 0.00 0.56 0.00 0.00 62.75 62.87 1hi2 n ILE 16 Cb 0.00 -1.18 0.00 0.00 -0.75 0.00 0.00 39.64 37.72 1hi2 n ILE 16 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1hi2 n ASN 17 N -2.86 4.86 -4.60 4.38 3.02 -0.02 -4.82 115.26 115.22 1hi2 n ASN 17 Ca -0.01 -2.97 -0.43 0.00 -0.03 0.00 0.00 54.58 51.13 1hi2 n ASN 17 Cb 0.51 -1.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.05 1hi2 n ASN 17 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1hi2 s MET 18 N 2.19 3.61 0.05 3.52 1.75 -1.26 -4.87 119.30 124.30 1hi2 s MET 18 Ca 0.45 0.65 0.20 0.00 -1.25 0.00 0.00 55.69 55.75 1hi2 s MET 18 Cb 0.05 -3.98 0.83 0.00 2.84 0.00 0.00 34.83 34.58 1hi2 s MET 18 CO 0.00 -1.53 1.63 0.25 -0.65 0.00 0.00 175.02 174.73 1hi2 n THR 19 N 6.92 0.71 -3.73 10.11 -2.24 -1.26 -4.76 114.28 120.03 1hi2 n THR 19 Ca 0.13 0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.94 1hi2 n THR 19 Cb 0.49 -0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 67.76 1hi2 n THR 19 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hi2 s SER 20 N -3.26 -0.21 0.00 3.42 0.15 -1.26 -4.96 113.70 107.58 1hi2 s SER 20 Ca 0.09 0.00 0.30 0.00 0.70 0.00 0.00 55.95 57.04 1hi2 s SER 20 Cb 0.12 0.36 1.76 0.00 -1.71 0.00 0.00 66.02 66.55 1hi2 s SER 20 CO 0.37 -0.55 2.12 0.00 1.20 0.00 0.00 173.24 176.37 1hi2 n GLN 21 N 0.88 0.87 -3.89 5.44 6.02 -1.26 -4.59 117.38 120.85 1hi2 n GLN 21 Ca -0.20 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.44 1hi2 n GLN 21 Cb 0.58 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.23 1hi2 n GLN 21 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1hi2 s GLN 22 N -2.08 3.89 0.20 -1.09 -1.52 -1.26 -5.01 119.66 112.78 1hi2 s GLN 22 Ca 0.43 -0.38 -0.11 0.00 -1.95 0.00 0.00 55.36 53.35 1hi2 s GLN 22 Cb 0.21 -3.30 0.18 0.00 -0.22 0.00 0.00 33.01 29.88 1hi2 s GLN 22 CO 0.36 0.09 1.82 0.00 -0.25 0.00 0.00 175.29 177.32 1hi2 h THR 24 N 0.71 0.97 -0.11 0.00 2.02 -1.91 0.20 112.91 114.78 1hi2 h THR 24 Ca 0.27 -0.27 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 1hi2 h THR 24 Cb 0.09 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1hi2 h THR 24 CO -0.13 0.15 -0.38 0.78 0.37 0.00 0.00 175.52 176.30 1hi2 h ASN 25 N 0.80 0.53 -0.67 4.18 2.35 -1.87 -3.19 115.58 117.71 1hi2 h ASN 25 Ca 0.35 -0.61 -0.04 0.00 -0.55 0.00 0.00 56.30 55.45 1hi2 h ASN 25 Cb 0.23 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1hi2 h ASN 25 CO -0.20 1.05 0.28 0.00 -1.65 0.00 0.00 177.43 176.91 1hi2 h ALA 26 N 0.49 1.19 0.00 -0.83 0.00 -0.85 -2.71 119.26 116.56 1hi2 h ALA 26 Ca -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1hi2 h ALA 26 Cb 1.00 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1hi2 h ALA 26 CO 0.08 0.59 -0.07 0.52 0.00 0.00 0.00 179.25 180.37 1hi2 h MET 27 N 1.00 0.00 -0.58 0.00 2.86 -0.67 -3.00 114.93 114.54 1hi2 h MET 27 Ca 0.23 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.88 1hi2 h MET 27 Cb 0.18 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1hi2 h MET 27 CO -0.02 0.07 0.39 1.96 1.06 0.00 0.00 176.91 180.37 1hi2 h GLN 28 N 0.00 0.77 0.27 1.72 4.20 -1.46 -0.06 115.11 120.54 1hi2 h GLN 28 Ca -0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1hi2 h GLN 28 Cb 0.52 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1hi2 h GLN 28 CO 0.01 0.51 -0.13 0.28 -0.67 0.00 0.00 178.83 178.83 1hi2 h VAL 29 N 0.79 0.76 -0.33 -0.54 2.07 -1.67 0.47 116.25 117.80 1hi2 h VAL 29 Ca 0.21 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1hi2 h VAL 29 Cb -0.09 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1hi2 h VAL 29 CO -0.05 0.04 0.17 0.40 0.02 0.00 0.00 177.57 178.15 1hi2 h ILE 30 N -0.44 1.15 -0.59 4.57 2.04 -1.61 -2.53 117.51 120.11 1hi2 h ILE 30 Ca -0.04 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 1hi2 h ILE 30 Cb 0.33 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1hi2 h ILE 30 CO 0.06 0.15 0.08 0.78 0.00 0.00 0.00 178.15 179.23 1hi2 h ASN 31 N 0.40 0.91 0.35 1.72 2.35 -0.98 -0.65 115.58 119.68 1hi2 h ASN 31 Ca 0.11 -0.20 -0.08 0.00 -0.55 0.00 0.00 56.30 55.58 1hi2 h ASN 31 Cb 0.09 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1hi2 h ASN 31 CO -0.02 0.92 -0.37 0.78 -1.65 0.00 0.00 177.43 177.10 1hi2 h ASN 32 N 0.90 0.03 0.16 5.81 2.35 -0.76 0.16 115.58 124.23 1hi2 h ASN 32 Ca 0.18 -0.01 -0.30 0.00 -0.55 0.00 0.00 56.30 55.62 1hi2 h ASN 32 Cb 0.41 -0.01 0.03 0.00 0.05 0.00 0.00 38.32 38.80 1hi2 h ASN 32 CO 0.01 0.40 -1.28 1.88 -1.65 0.00 0.00 177.43 176.79 1hi2 h TYR 33 N 0.03 0.98 0.00 1.19 0.05 -1.04 -3.31 116.97 114.87 1hi2 h TYR 33 Ca 0.00 -0.65 0.00 0.00 0.05 0.00 0.00 58.73 58.13 1hi2 h TYR 33 Cb 0.66 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.34 1hi2 h TYR 33 CO 0.00 1.49 -0.12 1.96 -1.05 0.00 0.00 178.16 180.44 1hi2 h GLN 34 N 0.20 0.00 -4.24 4.88 4.20 -0.97 -3.43 115.11 115.75 1hi2 h GLN 34 Ca -0.20 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.20 1hi2 h GLN 34 Cb 1.96 0.00 0.08 0.00 0.30 0.00 0.00 27.48 29.82 1hi2 h GLN 34 CO 0.24 0.00 -0.50 0.54 -0.67 0.00 0.00 178.83 178.44 1hi2 n ARG 35 N -2.40 -5.18 -3.58 1.46 5.12 0.56 -4.99 116.66 107.65 1hi2 n ARG 35 Ca 0.05 0.66 -0.05 0.00 -1.93 0.00 0.00 57.85 56.58 1hi2 n ARG 35 Cb 0.45 -5.11 -0.02 0.00 -1.16 0.00 0.00 32.46 26.62 1hi2 n ARG 35 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1hi2 s ARG 36 N -5.77 0.41 -0.38 5.56 1.70 -1.10 -5.06 118.95 114.31 1hi2 s ARG 36 Ca 0.36 -0.14 -0.21 0.00 -0.47 0.00 0.00 55.73 55.28 1hi2 s ARG 36 Cb -0.16 0.19 0.01 0.00 -0.57 0.00 0.00 34.95 34.42 1hi2 s ARG 36 CO 0.45 -0.18 0.65 0.00 -1.08 0.00 0.00 175.30 175.14 1hi2 s LYS 38 N 2.79 4.17 0.21 0.00 2.20 -1.26 -4.91 119.74 122.94 1hi2 s LYS 38 Ca 0.25 2.49 -0.04 0.00 -0.36 0.00 0.00 55.97 58.31 1hi2 s LYS 38 Cb -0.14 -3.05 0.19 0.00 -1.51 0.00 0.00 37.83 33.31 1hi2 s LYS 38 CO 0.16 -0.57 1.61 -0.97 -0.36 0.00 0.00 175.35 175.23 1hi2 h ASN 39 N 4.97 0.74 -4.99 1.43 -0.73 -1.95 -3.41 115.58 111.63 1hi2 h ASN 39 Ca -0.47 -0.29 -0.10 0.00 1.87 0.00 0.00 56.30 57.32 1hi2 h ASN 39 Cb 1.22 -0.20 -0.20 0.00 0.27 0.00 0.00 38.32 39.41 1hi2 h ASN 39 CO 0.79 0.98 -0.16 0.00 -0.37 0.00 0.00 177.43 178.67 1hi2 s GLN 40 N -4.49 0.77 -0.27 6.67 -2.07 -1.26 -0.57 119.66 118.44 1hi2 s GLN 40 Ca -0.09 -0.10 -0.22 0.00 -1.82 0.00 0.00 55.36 53.13 1hi2 s GLN 40 Cb 0.13 0.35 0.07 0.00 -1.09 0.00 0.00 33.01 32.47 1hi2 s GLN 40 CO 0.83 -0.22 0.72 1.21 -1.32 0.00 0.00 175.29 176.51 1hi2 s ASN 41 N -1.33 -0.81 -0.16 12.60 2.47 -0.44 -5.00 114.94 122.27 1hi2 s ASN 41 Ca -0.13 1.46 -0.05 0.00 0.42 0.00 0.00 52.86 54.56 1hi2 s ASN 41 Cb -0.04 1.43 -0.03 0.00 -1.45 0.00 0.00 41.25 41.16 1hi2 s ASN 41 CO 0.05 -0.24 -0.00 -0.89 -3.72 0.00 0.00 177.10 172.30 1hi2 s THR 42 N 0.81 4.22 -0.21 -5.21 2.01 -1.26 -0.29 115.64 115.72 1hi2 s THR 42 Ca -0.03 -0.24 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 1hi2 s THR 42 Cb -0.05 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 1hi2 s THR 42 CO -0.06 0.49 0.01 -0.36 -0.69 0.00 0.00 174.62 174.01 1hi2 s PHE 43 N 0.29 3.05 -0.15 4.92 0.08 0.17 -4.44 117.98 121.91 1hi2 s PHE 43 Ca -0.01 -0.43 -0.23 0.00 0.12 0.00 0.00 56.93 56.38 1hi2 s PHE 43 Cb -0.13 -2.10 -0.03 0.00 -0.57 0.00 0.00 43.02 40.19 1hi2 s PHE 43 CO 0.02 -0.24 0.72 -0.51 -0.10 0.00 0.00 175.22 175.11 1hi2 s LEU 44 N 1.05 4.21 -1.39 -0.37 1.43 0.59 -1.38 118.68 122.81 1hi2 s LEU 44 Ca 0.02 1.06 -0.09 0.00 -1.03 0.00 0.00 54.13 54.09 1hi2 s LEU 44 Cb -0.14 -3.06 0.08 0.00 0.03 0.00 0.00 46.19 43.09 1hi2 s LEU 44 CO 0.02 -0.26 2.32 0.18 0.23 0.00 0.00 176.35 178.83 1hi2 n LEU 45 N 4.69 7.56 -4.20 1.79 4.77 0.31 -4.64 117.00 127.29 1hi2 n LEU 45 Ca 0.01 -4.58 -0.16 0.00 -0.03 0.00 0.00 56.01 51.24 1hi2 n LEU 45 Cb 0.50 -1.49 -0.07 0.00 -2.33 0.00 0.00 43.42 40.03 1hi2 n LEU 45 CO 0.46 1.69 -0.04 0.28 -1.33 0.00 0.00 177.39 178.45 1hi2 s THR 46 N 0.73 0.00 0.31 -5.08 -1.32 -1.26 -4.56 115.64 104.46 1hi2 s THR 46 Ca 0.51 -1.85 0.00 0.00 -1.21 0.00 0.00 61.69 59.15 1hi2 s THR 46 Cb 0.15 -2.53 -0.04 0.00 -1.51 0.00 0.00 72.50 68.57 1hi2 s THR 46 CO -0.06 0.00 0.51 0.42 -2.21 0.00 0.00 174.62 173.29 1hi2 s THR 47 N -3.47 5.12 0.22 5.08 -4.23 -1.26 -4.96 115.64 112.15 1hi2 s THR 47 Ca 0.36 -0.45 -0.09 0.00 -1.18 0.00 0.00 61.69 60.33 1hi2 s THR 47 Cb 0.02 -3.83 0.17 0.00 1.34 0.00 0.00 72.50 70.20 1hi2 s THR 47 CO 0.22 -0.47 1.85 0.15 -0.54 0.00 0.00 174.62 175.83 1hi2 h PHE 48 N 1.03 1.08 -0.90 3.99 3.57 -1.98 -2.22 116.94 121.51 1hi2 h PHE 48 Ca -0.50 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1hi2 h PHE 48 Cb 1.21 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 1hi2 h PHE 48 CO 0.52 0.73 0.58 0.00 -2.23 0.00 0.00 178.31 177.91 1hi2 h ALA 49 N 1.26 1.32 -0.60 2.41 0.00 -1.99 -1.38 119.26 120.27 1hi2 h ALA 49 Ca 0.29 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1hi2 h ALA 49 Cb -0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 1hi2 h ALA 49 CO -0.05 0.61 0.19 -0.91 0.00 0.00 0.00 179.25 179.09 1hi2 h ASN 50 N 1.23 0.83 -0.44 0.00 2.35 -1.81 -1.84 115.58 115.91 1hi2 h ASN 50 Ca 0.33 -0.13 -0.15 0.00 -0.55 0.00 0.00 56.30 55.80 1hi2 h ASN 50 Cb -0.11 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 1hi2 h ASN 50 CO -0.07 0.78 -0.29 0.58 -1.65 0.00 0.00 177.43 176.78 1hi2 h VAL 51 N 0.87 1.27 -0.87 2.81 2.07 -0.95 -2.58 116.25 118.87 1hi2 h VAL 51 Ca 0.20 -1.46 0.04 0.00 0.82 0.00 0.00 66.70 66.29 1hi2 h VAL 51 Cb 0.25 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1hi2 h VAL 51 CO -0.01 0.50 0.57 0.58 0.02 0.00 0.00 177.57 179.23 1hi2 h VAL 52 N 0.83 1.13 -0.31 2.57 2.07 -0.93 -0.40 116.25 121.21 1hi2 h VAL 52 Ca 0.09 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1hi2 h VAL 52 Cb 0.88 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1hi2 h VAL 52 CO 0.08 0.20 -0.07 0.78 0.02 0.00 0.00 177.57 178.58 1hi2 h ASN 53 N 1.07 0.47 0.22 0.57 2.35 -1.03 -1.76 115.58 117.47 1hi2 h ASN 53 Ca 0.35 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 1hi2 h ASN 53 Cb 0.05 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1hi2 h ASN 53 CO -0.11 0.59 -0.16 0.58 -1.65 0.00 0.00 177.43 176.68 1hi2 h VAL 54 N 0.47 0.97 0.00 2.81 2.07 -0.70 -0.00 116.25 121.86 1hi2 h VAL 54 Ca 0.09 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1hi2 h VAL 54 Cb 0.41 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1hi2 h VAL 54 CO 0.02 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.77 1hi2 n GLY 56 N -0.92 -1.45 3.75 0.00 0.00 -0.02 -4.89 105.19 101.67 1hi2 n GLY 56 Ca -0.02 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1hi2 n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hi2 s ASN 57 N -3.24 3.75 0.47 1.61 0.01 -0.43 -4.96 114.94 112.15 1hi2 s ASN 57 Ca 0.12 1.38 -0.23 0.00 -0.71 0.00 0.00 52.86 53.43 1hi2 s ASN 57 Cb 0.18 -2.08 -0.09 0.00 0.41 0.00 0.00 41.25 39.67 1hi2 s ASN 57 CO 0.60 -2.45 0.96 -2.65 -1.51 0.00 0.00 177.10 172.05 1hi2 n PRO 58 N -3.75 1.20 -2.37 -0.60 -0.02 -1.26 -4.92 135.00 123.27 1hi2 n PRO 58 Ca 0.07 0.44 -0.40 0.00 -2.02 0.00 0.00 63.50 61.58 1hi2 n PRO 58 Cb 0.56 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.97 1hi2 n PRO 58 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1hi2 s ASN 59 N -0.87 7.12 0.10 2.55 -0.87 -1.26 -4.51 114.94 117.20 1hi2 s ASN 59 Ca 0.66 2.39 -0.01 0.00 -1.57 0.00 0.00 52.86 54.33 1hi2 s ASN 59 Cb -0.52 -2.63 -0.04 0.00 -0.02 0.00 0.00 41.25 38.04 1hi2 s ASN 59 CO 0.55 -0.26 0.02 0.00 -2.57 0.00 0.00 177.10 174.83 1hi2 s MET 60 N -1.56 0.80 0.24 -0.60 0.23 0.41 -4.99 119.30 113.83 1hi2 s MET 60 Ca 0.46 -1.35 -0.30 0.00 -1.03 0.00 0.00 55.69 53.47 1hi2 s MET 60 Cb -0.34 0.20 -0.09 0.00 -1.53 0.00 0.00 34.83 33.06 1hi2 s MET 60 CO 0.44 -0.19 1.30 0.99 -2.03 0.00 0.00 175.02 175.54 1hi2 s THR 61 N -3.97 3.07 -0.18 3.16 2.01 -1.26 -2.75 115.64 115.72 1hi2 s THR 61 Ca 0.17 0.94 -0.29 0.00 0.31 0.00 0.00 61.69 62.82 1hi2 s THR 61 Cb 0.08 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 1hi2 s THR 61 CO -0.03 0.17 1.31 0.00 -0.69 0.00 0.00 174.62 175.38 1hi2 h PRO 63 N 8.57 0.00 0.01 0.00 0.11 -1.91 -2.53 132.00 136.25 1hi2 h PRO 63 Ca -0.28 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 1hi2 h PRO 63 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1hi2 h PRO 63 CO 0.98 0.00 -0.19 0.66 -0.21 0.00 0.00 178.00 179.24 1hi2 h SER 64 N 0.00 0.16 -4.30 -2.05 4.64 -1.90 -3.40 113.55 106.69 1hi2 h SER 64 Ca 0.11 -0.82 -0.64 0.00 -0.47 0.00 0.00 61.79 59.96 1hi2 h SER 64 Cb 0.54 -0.05 -0.41 0.00 -0.31 0.00 0.00 62.40 62.17 1hi2 h SER 64 CO -0.00 0.96 -0.64 0.21 -0.87 0.00 0.00 176.83 176.49 1hi2 s ASN 65 N -6.27 4.37 0.00 4.97 3.84 -0.96 -4.96 114.94 115.93 1hi2 s ASN 65 Ca -0.17 -2.92 0.00 0.00 0.21 0.00 0.00 52.86 49.98 1hi2 s ASN 65 Cb -0.00 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 39.06 1hi2 s ASN 65 CO 0.73 -0.25 0.68 2.29 -2.79 0.00 0.00 177.10 177.76 1hi2 n LYS 66 N 3.23 0.00 0.00 0.43 2.85 -1.16 0.23 118.16 123.75 1hi2 n LYS 66 Ca 0.05 0.23 0.11 0.00 -1.05 0.00 0.00 58.31 57.65 1hi2 n LYS 66 Cb 0.33 -1.61 0.06 0.00 -0.65 0.00 0.00 35.03 33.16 1hi2 n LYS 66 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1hi2 n THR 67 N -1.18 0.00 -4.14 0.58 -2.24 -1.26 -4.88 114.28 101.16 1hi2 n THR 67 Ca 0.00 -0.15 -0.35 0.00 -2.27 0.00 0.00 64.05 61.27 1hi2 n THR 67 Cb 0.11 0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 69.22 1hi2 n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1hi2 s ARG 68 N -2.65 3.17 -0.16 -0.78 1.81 0.14 -5.01 118.95 115.48 1hi2 s ARG 68 Ca 0.17 -0.31 0.14 0.00 -1.72 0.00 0.00 55.73 54.01 1hi2 s ARG 68 Cb 0.18 -2.96 0.40 0.00 -0.45 0.00 0.00 34.95 32.12 1hi2 s ARG 68 CO 0.64 0.72 1.20 1.17 -0.68 0.00 0.00 175.30 178.35 1hi2 n LYS 69 N 1.91 1.21 -0.85 3.54 3.00 -1.26 -1.34 118.16 124.36 1hi2 n LYS 69 Ca -0.18 -2.93 -0.05 0.00 -0.00 0.00 0.00 58.31 55.14 1hi2 n LYS 69 Cb 0.54 -1.26 0.23 0.00 0.00 0.00 0.00 35.03 34.54 1hi2 n LYS 69 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1hi2 n ASN 70 N -0.79 3.49 -4.94 3.14 6.94 -1.26 -4.26 115.26 117.57 1hi2 n ASN 70 Ca 0.16 -3.48 -0.25 0.00 -0.02 0.00 0.00 54.58 50.99 1hi2 n ASN 70 Cb 0.78 -0.68 -0.03 0.00 -2.36 0.00 0.00 39.78 37.49 1hi2 n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hi2 s HIS 72 N -1.84 -0.11 0.03 0.00 3.76 0.43 -0.45 115.29 117.11 1hi2 s HIS 72 Ca 0.36 0.27 -0.20 0.00 -0.15 0.00 0.00 55.06 55.34 1hi2 s HIS 72 Cb -0.11 0.03 -0.06 0.00 1.11 0.00 0.00 32.58 33.56 1hi2 s HIS 72 CO 0.29 -0.06 0.58 -1.58 -0.85 0.00 0.00 174.74 173.13 1hi2 s HIS 73 N 0.09 3.74 0.57 1.40 2.46 -1.26 -1.25 115.29 121.04 1hi2 s HIS 73 Ca -0.00 1.23 0.37 0.00 0.47 0.00 0.00 55.06 57.12 1hi2 s HIS 73 Cb -0.01 -2.56 2.04 0.00 -0.13 0.00 0.00 32.58 31.92 1hi2 s HIS 73 CO -0.00 0.46 2.27 0.66 -2.47 0.00 0.00 174.74 175.66 1hi2 h SER 74 N 5.15 0.00 0.00 9.88 4.64 -1.37 -3.47 113.55 128.38 1hi2 h SER 74 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1hi2 h SER 74 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1hi2 h SER 74 CO 0.67 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 1hi2 n GLY 75 N -1.05 1.84 3.37 -0.77 0.00 -1.26 -4.90 105.19 102.42 1hi2 n GLY 75 Ca -0.03 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 1hi2 n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hi2 s SER 76 N 0.00 2.27 0.44 1.61 1.04 -1.26 -5.11 113.70 112.69 1hi2 s SER 76 Ca 0.00 -1.20 -0.20 0.00 0.48 0.00 0.00 55.95 55.03 1hi2 s SER 76 Cb 0.00 -0.08 -0.10 0.00 0.10 0.00 0.00 66.02 65.94 1hi2 s SER 76 CO 0.00 -0.43 0.94 -1.10 0.98 0.00 0.00 173.24 173.63 1hi2 s GLN 77 N -3.80 4.17 0.06 4.02 -0.21 -1.26 -4.57 119.66 118.07 1hi2 s GLN 77 Ca 0.29 1.06 0.02 0.00 0.02 0.00 0.00 55.36 56.75 1hi2 s GLN 77 Cb 0.05 -2.19 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 1hi2 s GLN 77 CO 0.10 -0.06 -0.08 0.14 -2.12 0.00 0.00 175.29 173.27 1hi2 s VAL 78 N -2.24 0.64 0.41 1.09 -7.23 -0.11 -4.87 120.40 108.09 1hi2 s VAL 78 Ca 0.61 -1.31 -0.24 0.00 -1.81 0.00 0.00 61.98 59.23 1hi2 s VAL 78 Cb -0.09 -0.91 -0.09 0.00 0.56 0.00 0.00 36.38 35.85 1hi2 s VAL 78 CO 0.16 -0.48 1.09 -2.16 -0.31 0.00 0.00 175.10 173.41 1hi2 s PRO 79 N -2.13 4.08 0.18 4.82 0.04 -1.26 -1.95 135.00 138.78 1hi2 s PRO 79 Ca -0.04 1.63 -0.13 0.00 0.04 0.00 0.00 61.00 62.50 1hi2 s PRO 79 Cb -0.06 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 31.93 1hi2 s PRO 79 CO -0.01 -0.25 0.40 -0.48 0.04 0.00 0.00 177.00 176.71 1hi2 s LEU 80 N -2.66 0.53 -0.09 -3.56 0.05 0.36 -0.53 118.68 112.78 1hi2 s LEU 80 Ca 0.58 -0.70 0.01 0.00 0.05 0.00 0.00 54.13 54.08 1hi2 s LEU 80 Cb -0.25 1.66 0.02 0.00 -2.05 0.00 0.00 46.19 45.56 1hi2 s LEU 80 CO 0.31 -0.98 -0.09 -0.63 -0.55 0.00 0.00 176.35 174.41 1hi2 s ILE 81 N -3.93 1.04 -0.22 1.48 1.01 -0.48 -1.38 121.20 118.72 1hi2 s ILE 81 Ca 0.14 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.34 1hi2 s ILE 81 Cb 0.01 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1hi2 s ILE 81 CO -0.01 0.35 0.10 -2.28 0.00 0.00 0.00 174.94 173.11 1hi2 s HIS 82 N 1.21 3.24 -0.17 3.97 2.46 -0.34 -0.66 115.29 125.00 1hi2 s HIS 82 Ca -0.04 0.04 -0.07 0.00 0.47 0.00 0.00 55.06 55.46 1hi2 s HIS 82 Cb -0.14 -2.18 -0.04 0.00 -0.13 0.00 0.00 32.58 30.09 1hi2 s HIS 82 CO -0.03 0.02 0.06 0.00 -2.47 0.00 0.00 174.74 172.33 1hi2 s ASN 84 N 0.21 2.57 0.03 0.00 0.01 -0.85 -1.33 114.94 115.59 1hi2 s ASN 84 Ca 0.04 -0.46 -0.30 0.00 -0.71 0.00 0.00 52.86 51.43 1hi2 s ASN 84 Cb -0.12 -1.18 -0.07 0.00 0.41 0.00 0.00 41.25 40.28 1hi2 s ASN 84 CO 0.00 0.09 1.65 -0.22 -1.51 0.00 0.00 177.10 177.12 1hi2 s LEU 85 N 0.56 4.36 -0.06 0.60 2.96 0.27 -0.56 118.68 126.80 1hi2 s LEU 85 Ca -0.15 2.41 0.11 0.00 -0.22 0.00 0.00 54.13 56.28 1hi2 s LEU 85 Cb -0.17 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 42.80 1hi2 s LEU 85 CO 0.05 -0.89 0.16 0.35 -1.32 0.00 0.00 176.35 174.70 1hi2 n THR 86 N 4.96 0.37 -3.62 3.68 -2.24 0.05 -4.86 114.28 112.62 1hi2 n THR 86 Ca 0.16 -0.38 -0.29 0.00 -2.27 0.00 0.00 64.05 61.27 1hi2 n THR 86 Cb 0.41 -0.21 -0.13 0.00 -2.10 0.00 0.00 70.33 68.31 1hi2 n THR 86 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1hi2 s THR 87 N -2.59 0.98 0.37 4.28 2.01 -0.99 -4.98 115.64 114.72 1hi2 s THR 87 Ca -0.05 -2.32 -0.26 0.00 0.31 0.00 0.00 61.69 59.36 1hi2 s THR 87 Cb 0.06 -1.69 -0.09 0.00 0.01 0.00 0.00 72.50 70.79 1hi2 s THR 87 CO 0.50 -0.94 1.21 -2.16 -0.69 0.00 0.00 174.62 172.54 1hi2 s PRO 88 N 0.54 4.16 -0.45 4.92 0.04 -1.26 -2.70 135.00 140.25 1hi2 s PRO 88 Ca 0.19 1.96 0.06 0.00 0.04 0.00 0.00 61.00 63.25 1hi2 s PRO 88 Cb -0.22 -2.82 0.20 0.00 0.04 0.00 0.00 34.50 31.69 1hi2 s PRO 88 CO -0.01 -0.26 0.57 0.45 0.04 0.00 0.00 177.00 177.79 1hi2 n SER 89 N 0.35 -1.65 0.00 6.66 2.88 -1.26 -4.97 113.62 115.63 1hi2 n SER 89 Ca 0.03 -2.73 0.01 0.00 -1.33 0.00 0.00 58.87 54.85 1hi2 n SER 89 Cb 0.45 0.49 0.04 0.00 -0.75 0.00 0.00 64.21 64.44 1hi2 n SER 89 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1hi2 n PRO 90 N 2.46 0.02 -0.10 -1.46 -0.02 -1.26 -2.61 135.00 132.03 1hi2 n PRO 90 Ca 0.22 0.33 -0.11 0.00 -2.02 0.00 0.00 63.50 61.93 1hi2 n PRO 90 Cb 0.53 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.38 1hi2 n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hi2 n GLN 91 N -1.36 0.93 -3.46 -0.52 0.00 -1.26 -4.80 117.38 106.92 1hi2 n GLN 91 Ca 0.01 0.02 -0.29 0.00 0.00 0.00 0.00 57.00 56.74 1hi2 n GLN 91 Cb 0.02 -1.47 -0.12 0.00 0.00 0.00 0.00 30.24 28.67 1hi2 n GLN 91 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1hi2 s ASN 92 N -5.47 2.75 0.62 2.61 3.04 -1.07 -5.01 114.94 112.41 1hi2 s ASN 92 Ca -0.14 -2.35 0.38 0.00 0.04 0.00 0.00 52.86 50.78 1hi2 s ASN 92 Cb 0.06 -0.43 2.04 0.00 -1.54 0.00 0.00 41.25 41.38 1hi2 s ASN 92 CO 0.69 -0.28 2.15 0.16 -3.04 0.00 0.00 177.10 176.78 1hi2 h ILE 93 N 4.97 0.00 0.00 -5.21 3.07 -1.85 -1.04 117.51 117.46 1hi2 h ILE 93 Ca 0.09 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.50 1hi2 h ILE 93 Cb 0.96 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 38.34 1hi2 h ILE 93 CO 0.29 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.85 1hi2 n SER 94 N -2.90 0.00 -0.94 2.16 3.41 -1.26 -2.25 113.62 111.84 1hi2 n SER 94 Ca -0.03 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.69 1hi2 n SER 94 Cb 0.15 -0.28 0.14 0.00 -0.26 0.00 0.00 64.21 63.96 1hi2 n SER 94 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1hi2 n ASN 95 N -1.28 3.02 -4.77 4.04 3.02 -0.39 -4.97 115.26 113.94 1hi2 n ASN 95 Ca 0.09 -1.91 -0.39 0.00 -0.03 0.00 0.00 54.58 52.34 1hi2 n ASN 95 Cb 0.15 -0.11 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 1hi2 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hi2 s ARG 97 N -2.21 1.51 0.14 0.00 0.52 -1.10 -4.95 118.95 112.86 1hi2 s ARG 97 Ca 0.56 -1.13 0.07 0.00 -0.52 0.00 0.00 55.73 54.71 1hi2 s ARG 97 Cb -0.37 -1.76 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 1hi2 s ARG 97 CO 0.48 0.44 -0.17 0.71 0.02 0.00 0.00 175.30 176.78 1hi2 s TYR 98 N -0.91 1.64 0.24 -0.53 1.51 -1.26 -0.77 117.35 117.28 1hi2 s TYR 98 Ca 0.11 -0.49 0.05 0.00 -1.01 0.00 0.00 57.07 55.72 1hi2 s TYR 98 Cb -0.10 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 1hi2 s TYR 98 CO 0.03 0.23 0.37 0.00 -1.11 0.00 0.00 175.55 175.07 1hi2 s ALA 99 N -1.90 3.92 -0.01 3.71 0.00 0.27 -4.46 121.76 123.30 1hi2 s ALA 99 Ca 0.11 -1.22 0.03 0.00 0.00 0.00 0.00 51.96 50.88 1hi2 s ALA 99 Cb -0.06 -1.74 -0.01 0.00 0.00 0.00 0.00 23.12 21.31 1hi2 s ALA 99 CO 0.05 0.23 -0.11 1.14 0.00 0.00 0.00 175.76 177.07 1hi2 s GLN 100 N -3.99 0.88 -0.17 0.00 -2.07 -1.26 -2.00 119.66 111.05 1hi2 s GLN 100 Ca 0.34 -0.41 -0.01 0.00 -1.82 0.00 0.00 55.36 53.47 1hi2 s GLN 100 Cb -0.09 -0.85 0.04 0.00 -1.09 0.00 0.00 33.01 31.03 1hi2 s GLN 100 CO 0.29 0.23 -0.03 0.99 -1.32 0.00 0.00 175.29 175.45 1hi2 s THR 101 N -0.29 0.96 0.28 3.63 2.01 -0.37 -4.97 115.64 116.90 1hi2 s THR 101 Ca 0.04 -0.58 -0.22 0.00 0.31 0.00 0.00 61.69 61.24 1hi2 s THR 101 Cb -0.04 -1.20 -0.09 0.00 0.01 0.00 0.00 72.50 71.18 1hi2 s THR 101 CO -0.00 0.07 0.82 -2.16 -0.69 0.00 0.00 174.62 172.66 1hi2 s PRO 102 N 1.69 4.36 0.28 4.92 0.04 -1.26 -1.20 135.00 143.82 1hi2 s PRO 102 Ca 0.00 1.04 -0.21 0.00 0.04 0.00 0.00 61.00 61.88 1hi2 s PRO 102 Cb -0.15 -2.79 0.02 0.00 0.04 0.00 0.00 34.50 31.62 1hi2 s PRO 102 CO -0.07 0.32 0.74 0.00 0.04 0.00 0.00 177.00 178.02 1hi2 s ALA 103 N -1.62 -1.22 -0.23 8.56 0.00 -0.48 -4.98 121.76 121.80 1hi2 s ALA 103 Ca 0.47 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 1hi2 s ALA 103 Cb -0.17 0.83 0.07 0.00 0.00 0.00 0.00 23.12 23.85 1hi2 s ALA 103 CO 0.21 -1.04 0.01 -0.80 0.00 0.00 0.00 175.76 174.14 1hi2 s ASN 104 N -2.93 3.48 0.26 0.00 0.01 -1.26 -0.49 114.94 114.01 1hi2 s ASN 104 Ca 0.11 -1.10 -0.04 0.00 -0.71 0.00 0.00 52.86 51.13 1hi2 s ASN 104 Cb -0.06 -0.90 -0.02 0.00 0.41 0.00 0.00 41.25 40.69 1hi2 s ASN 104 CO 0.07 -0.29 0.32 -0.04 -1.51 0.00 0.00 177.10 175.65 1hi2 s MET 105 N 1.61 1.51 0.51 -0.60 -1.94 -0.82 -4.82 119.30 114.75 1hi2 s MET 105 Ca -0.02 -1.59 -0.05 0.00 -1.71 0.00 0.00 55.69 52.32 1hi2 s MET 105 Cb -0.18 0.37 -0.02 0.00 2.01 0.00 0.00 34.83 37.01 1hi2 s MET 105 CO -0.09 -0.58 0.81 -0.06 -0.01 0.00 0.00 175.02 175.09 1hi2 s PHE 106 N -3.81 3.47 0.04 -0.03 0.08 -1.26 -0.94 117.98 115.53 1hi2 s PHE 106 Ca 0.33 0.74 -0.01 0.00 0.12 0.00 0.00 56.93 58.11 1hi2 s PHE 106 Cb 0.03 -2.42 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 1hi2 s PHE 106 CO 0.15 -0.43 -0.03 1.52 -0.10 0.00 0.00 175.22 176.33 1hi2 s TYR 107 N -2.80 0.42 -0.12 0.36 1.13 -1.26 -1.44 117.35 113.64 1hi2 s TYR 107 Ca 0.49 -0.87 0.02 0.00 -1.41 0.00 0.00 57.07 55.30 1hi2 s TYR 107 Cb -0.10 -0.32 0.01 0.00 -1.10 0.00 0.00 41.96 40.46 1hi2 s TYR 107 CO 0.45 -0.32 -0.18 0.42 -2.51 0.00 0.00 175.55 173.41 1hi2 s ILE 108 N -3.05 1.72 0.09 -3.49 1.01 0.43 -0.90 121.20 117.01 1hi2 s ILE 108 Ca -0.01 -0.77 0.10 0.00 0.00 0.00 0.00 60.65 59.97 1hi2 s ILE 108 Cb 0.02 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1hi2 s ILE 108 CO -0.07 0.48 -0.25 0.54 0.00 0.00 0.00 174.94 175.64 1hi2 s VAL 109 N 0.98 2.31 -0.11 2.92 0.11 -0.38 -1.00 120.40 125.21 1hi2 s VAL 109 Ca -0.05 -1.56 -0.10 0.00 -2.93 0.00 0.00 61.98 57.33 1hi2 s VAL 109 Cb -0.15 -1.98 -0.05 0.00 -1.53 0.00 0.00 36.38 32.68 1hi2 s VAL 109 CO -0.03 0.21 0.23 0.00 -3.33 0.00 0.00 175.10 172.18 1hi2 s ALA 110 N -0.97 3.76 0.20 1.54 0.00 -0.14 -0.43 121.76 125.73 1hi2 s ALA 110 Ca 0.14 -0.52 0.08 0.00 0.00 0.00 0.00 51.96 51.65 1hi2 s ALA 110 Cb -0.10 -2.17 -0.05 0.00 0.00 0.00 0.00 23.12 20.81 1hi2 s ALA 110 CO 0.05 0.42 -0.15 0.00 0.00 0.00 0.00 175.76 176.08 1hi2 s ASP 112 N -3.19 0.13 0.51 0.00 2.15 -0.31 -4.86 116.67 111.08 1hi2 s ASP 112 Ca 0.21 -1.05 -0.21 0.00 0.43 0.00 0.00 52.55 51.93 1hi2 s ASP 112 Cb -0.02 0.66 -0.06 0.00 -0.30 0.00 0.00 42.92 43.20 1hi2 s ASP 112 CO 0.07 -1.27 1.18 0.20 -0.17 0.00 0.00 175.17 175.17 1hi2 s ASN 113 N -3.06 5.85 0.88 -0.34 0.01 -1.26 -0.67 114.94 116.34 1hi2 s ASN 113 Ca 0.22 2.33 -0.11 0.00 -0.71 0.00 0.00 52.86 54.60 1hi2 s ASN 113 Cb -0.02 -2.60 0.12 0.00 0.41 0.00 0.00 41.25 39.16 1hi2 s ASN 113 CO 0.12 -1.14 1.11 0.00 -1.51 0.00 0.00 177.10 175.68 1hi2 s ARG 114 N -2.94 1.37 -0.23 -0.60 1.70 -0.03 -4.77 118.95 113.44 1hi2 s ARG 114 Ca 0.68 1.29 -0.29 0.00 -0.47 0.00 0.00 55.73 56.94 1hi2 s ARG 114 Cb -0.29 -1.79 -0.02 0.00 -0.57 0.00 0.00 34.95 32.29 1hi2 s ARG 114 CO 0.34 -2.30 1.49 0.34 -1.08 0.00 0.00 175.30 174.09 1hi2 s ASP 115 N -3.01 6.53 0.21 -2.89 -1.08 -1.26 -4.90 116.67 110.28 1hi2 s ASP 115 Ca 0.64 1.53 -0.10 0.00 -0.52 0.00 0.00 52.55 54.11 1hi2 s ASP 115 Cb -0.20 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.04 1hi2 s ASP 115 CO 0.58 -1.15 1.69 -0.61 0.52 0.00 0.00 175.17 176.20 1hi2 h GLN 116 N 10.02 0.21 0.14 4.34 5.75 -1.91 -1.17 115.11 132.48 1hi2 h GLN 116 Ca -0.31 -0.01 -0.33 0.00 -0.15 0.00 0.00 58.65 57.85 1hi2 h GLN 116 Cb 1.13 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.63 1hi2 h GLN 116 CO 1.01 0.14 -1.66 -0.09 -2.65 0.00 0.00 178.83 175.58 1hi2 h ARG 117 N 0.22 0.29 0.00 1.69 1.12 -2.02 -3.42 114.38 112.26 1hi2 h ARG 117 Ca 0.33 -0.50 0.00 0.00 -1.11 0.00 0.00 59.98 58.70 1hi2 h ARG 117 Cb 0.52 0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.66 1hi2 h ARG 117 CO -0.45 1.17 -1.70 0.54 -3.11 0.00 0.00 179.97 176.41 1hi2 n ARG 118 N -3.48 0.54 -3.35 0.20 1.74 -1.20 -4.96 116.66 106.14 1hi2 n ARG 118 Ca -0.21 -0.14 -0.36 0.00 -0.77 0.00 0.00 57.85 56.37 1hi2 n ARG 118 Cb 1.06 -1.38 -0.06 0.00 -1.02 0.00 0.00 32.46 31.06 1hi2 n ARG 118 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1hi2 s ASP 119 N -3.82 6.89 0.48 0.55 1.01 -0.45 -5.01 116.67 116.32 1hi2 s ASP 119 Ca -0.05 1.11 -0.24 0.00 0.71 0.00 0.00 52.55 54.08 1hi2 s ASP 119 Cb 0.10 -2.30 -0.07 0.00 1.01 0.00 0.00 42.92 41.66 1hi2 s ASP 119 CO 0.68 0.18 1.31 -2.16 0.21 0.00 0.00 175.17 175.38 1hi2 s PRO 120 N -1.63 3.57 0.61 8.23 0.04 -1.26 -4.79 135.00 139.77 1hi2 s PRO 120 Ca 0.34 2.13 0.37 0.00 0.04 0.00 0.00 61.00 63.88 1hi2 s PRO 120 Cb -0.16 -2.47 2.02 0.00 0.04 0.00 0.00 34.50 33.92 1hi2 s PRO 120 CO 0.18 -0.81 2.25 -1.35 0.04 0.00 0.00 177.00 177.32 1hi2 h PRO 121 N 2.02 0.00 -1.01 0.56 0.11 -1.94 -3.21 132.00 128.53 1hi2 h PRO 121 Ca -0.50 0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.85 1hi2 h PRO 121 Cb 1.27 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.27 1hi2 h PRO 121 CO 0.60 0.02 0.62 0.37 -0.21 0.00 0.00 178.00 179.40 1hi2 h GLN 122 N 0.00 0.53 -4.16 1.05 4.15 -2.04 -3.32 115.11 111.32 1hi2 h GLN 122 Ca -0.00 -0.03 -0.66 0.00 0.77 0.00 0.00 58.65 58.73 1hi2 h GLN 122 Cb 0.12 -0.12 -0.40 0.00 0.21 0.00 0.00 27.48 27.29 1hi2 h GLN 122 CO 0.00 0.35 -0.65 0.71 -1.93 0.00 0.00 178.83 177.31 1hi2 s TYR 123 N -5.69 3.53 0.45 3.99 2.02 -1.21 -4.97 117.35 115.47 1hi2 s TYR 123 Ca -0.10 -2.99 0.13 0.00 -0.37 0.00 0.00 57.07 53.74 1hi2 s TYR 123 Cb 0.26 -2.94 1.00 0.00 -0.40 0.00 0.00 41.96 39.89 1hi2 s TYR 123 CO 0.80 -0.88 2.02 -1.00 -1.57 0.00 0.00 175.55 174.92 1hi2 h PRO 124 N 7.24 0.11 -5.31 -1.71 0.13 -1.85 -3.42 132.00 127.20 1hi2 h PRO 124 Ca -0.06 -0.02 -0.67 0.00 -0.87 0.00 0.00 66.00 64.38 1hi2 h PRO 124 Cb 0.97 -0.02 -0.31 0.00 0.13 0.00 0.00 31.00 31.77 1hi2 h PRO 124 CO 0.61 0.20 -0.85 0.08 -0.23 0.00 0.00 178.00 177.81 1hi2 s VAL 125 N -4.86 2.33 0.09 1.56 1.01 -1.26 -0.85 120.40 118.42 1hi2 s VAL 125 Ca -0.05 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1hi2 s VAL 125 Cb 0.16 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1hi2 s VAL 125 CO 0.70 0.55 -0.09 0.68 0.00 0.00 0.00 175.10 176.94 1hi2 s VAL 126 N 0.44 0.81 0.22 2.92 -7.23 0.15 -4.92 120.40 112.79 1hi2 s VAL 126 Ca -0.15 -1.58 -0.30 0.00 -1.81 0.00 0.00 61.98 58.15 1hi2 s VAL 126 Cb -0.17 -1.26 -0.08 0.00 0.56 0.00 0.00 36.38 35.42 1hi2 s VAL 126 CO 0.06 -0.58 1.10 -2.16 -0.31 0.00 0.00 175.10 173.21 1hi2 s PRO 127 N -2.74 4.62 0.00 4.82 0.04 -1.26 -1.16 135.00 139.32 1hi2 s PRO 127 Ca 0.03 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1hi2 s PRO 127 Cb -0.03 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1hi2 s PRO 127 CO -0.01 0.14 0.00 1.33 0.04 0.00 0.00 177.00 178.50 1hi2 n VAL 128 N 1.92 0.00 -3.71 -0.36 0.24 0.06 -4.16 118.33 112.33 1hi2 n VAL 128 Ca 0.01 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.34 61.96 1hi2 n VAL 128 Cb 0.46 0.75 -0.09 0.00 -1.47 0.00 0.00 33.84 33.49 1hi2 n VAL 128 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1hi2 s HIS 129 N -0.97 -0.53 -0.51 6.34 3.76 -1.17 -4.73 115.29 117.47 1hi2 s HIS 129 Ca 0.00 1.29 -0.19 0.00 -0.15 0.00 0.00 55.06 56.01 1hi2 s HIS 129 Cb 0.00 0.18 0.06 0.00 1.11 0.00 0.00 32.58 33.94 1hi2 s HIS 129 CO 0.00 -0.26 0.63 -1.17 -0.85 0.00 0.00 174.74 173.09 1hi2 s LEU 130 N 0.22 5.00 0.09 0.89 2.96 -1.26 -0.96 118.68 125.62 1hi2 s LEU 130 Ca -0.00 -0.96 -0.10 0.00 -0.22 0.00 0.00 54.13 52.85 1hi2 s LEU 130 Cb -0.03 -2.43 -0.20 0.00 0.50 0.00 0.00 46.19 44.03 1hi2 s LEU 130 CO 0.01 -0.91 1.21 -0.78 -1.32 0.00 0.00 176.35 174.56 1hi2 h ASP 131 N 9.01 0.76 -4.15 3.68 1.82 -1.41 -3.49 116.42 122.64 1hi2 h ASP 131 Ca -0.28 -0.63 0.20 0.00 -0.39 0.00 0.00 57.03 55.93 1hi2 h ASP 131 Cb 1.09 -0.23 -0.20 0.00 0.68 0.00 0.00 39.33 40.67 1hi2 h ASP 131 CO 0.97 1.43 0.73 -0.60 -1.61 0.00 0.00 179.24 180.16 1hi2 s ARG 132 N -3.21 0.42 -0.06 0.28 3.52 -1.08 -4.60 118.95 114.23 1hi2 s ARG 132 Ca -0.08 -0.09 0.06 0.00 -0.13 0.00 0.00 55.73 55.49 1hi2 s ARG 132 Cb 0.07 0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 33.65 1hi2 s ARG 132 CO 0.90 -0.17 -0.24 0.96 -0.81 0.00 0.00 175.30 175.95 1hi2 s ILE 133 N -2.14 1.96 0.00 4.11 -4.36 -1.26 -0.43 121.20 119.09 1hi2 s ILE 133 Ca 0.07 -1.02 0.00 0.00 -0.26 0.00 0.00 60.65 59.44 1hi2 s ILE 133 Cb -0.01 -1.66 0.00 0.00 1.25 0.00 0.00 42.46 42.04 1hi2 s ILE 133 CO -0.05 0.55 0.24 2.30 0.24 0.00 0.00 174.94 178.22