#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hd4 s HIS 65 N 0.00 3.22 -0.26 6.00 3.76 -1.26 -5.08 115.29 121.68 3hd4 s HIS 65 Ca 0.00 -1.48 -0.20 0.00 -0.15 0.00 0.00 55.06 53.23 3hd4 s HIS 65 Cb 0.00 -2.21 -0.02 0.00 1.11 0.00 0.00 32.58 31.46 3hd4 s HIS 65 CO 0.00 -0.73 0.59 0.71 -0.85 0.00 0.00 174.74 174.47 3hd4 s TYR 66 N 1.37 3.28 0.36 1.40 2.02 -1.26 -5.01 117.35 119.51 3hd4 s TYR 66 Ca -0.02 0.76 -0.21 0.00 -0.37 0.00 0.00 57.07 57.23 3hd4 s TYR 66 Cb -0.19 -2.81 -0.10 0.00 -0.40 0.00 0.00 41.96 38.46 3hd4 s TYR 66 CO 0.01 -0.32 0.87 0.45 -1.57 0.00 0.00 175.55 175.00 3hd4 s SER 67 N 1.50 7.00 0.16 2.29 0.15 -1.26 -4.06 113.70 119.48 3hd4 s SER 67 Ca 0.25 1.59 0.22 0.00 0.70 0.00 0.00 55.95 58.71 3hd4 s SER 67 Cb -0.16 -2.50 0.88 0.00 -1.71 0.00 0.00 66.02 62.54 3hd4 s SER 67 CO 0.09 -0.22 1.66 0.79 1.20 0.00 0.00 173.24 176.77 3hd4 n TRP 68 N -0.16 0.54 -4.25 3.44 7.02 -1.26 -4.63 117.44 118.14 3hd4 n TRP 68 Ca 0.04 0.20 -0.16 0.00 -1.02 0.00 0.00 57.50 56.56 3hd4 n TRP 68 Cb 0.53 -0.83 -0.10 0.00 -2.42 0.00 0.00 31.31 28.49 3hd4 n TRP 68 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 3hd4 s PHE 69 N -3.18 1.33 0.75 -5.99 0.08 -1.26 -0.53 117.98 109.18 3hd4 s PHE 69 Ca 0.06 -0.66 -0.14 0.00 0.12 0.00 0.00 56.93 56.31 3hd4 s PHE 69 Cb 0.10 -0.68 0.05 0.00 -0.57 0.00 0.00 43.02 41.93 3hd4 s PHE 69 CO 0.39 0.12 1.19 -1.54 -0.10 0.00 0.00 175.22 175.28 3hd4 s SER 70 N -2.88 4.07 0.71 1.36 1.04 -0.81 -4.77 113.70 112.42 3hd4 s SER 70 Ca 0.13 2.31 -0.08 0.00 0.48 0.00 0.00 55.95 58.79 3hd4 s SER 70 Cb -0.01 -2.58 0.05 0.00 0.10 0.00 0.00 66.02 63.58 3hd4 s SER 70 CO 0.02 -2.34 1.05 -0.83 0.98 0.00 0.00 173.24 172.11 3hd4 s GLY 71 N -2.17 1.64 -0.19 7.32 0.00 -1.26 -4.62 107.32 108.04 3hd4 s GLY 71 Ca 0.73 -0.75 -0.02 0.00 0.00 0.00 0.00 44.72 44.68 3hd4 s GLY 71 CO 0.47 -0.35 -0.09 -0.42 0.00 0.00 0.00 173.10 172.71 3hd4 s ILE 72 N -3.30 3.07 -0.13 0.90 1.01 0.22 -0.72 121.20 122.25 3hd4 s ILE 72 Ca 0.59 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 3hd4 s ILE 72 Cb -0.11 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 3hd4 s ILE 72 CO 0.47 0.47 0.13 -0.89 0.00 0.00 0.00 174.94 175.12 3hd4 s THR 73 N 1.13 5.43 -0.08 2.92 2.01 0.54 -0.22 115.64 127.37 3hd4 s THR 73 Ca 0.01 0.18 -0.25 0.00 0.31 0.00 0.00 61.69 61.95 3hd4 s THR 73 Cb -0.14 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 3hd4 s THR 73 CO -0.02 0.60 0.77 -1.58 -0.69 0.00 0.00 174.62 173.69 3hd4 s GLN 74 N -0.87 4.43 -0.00 4.92 0.74 -0.18 -0.55 119.66 128.13 3hd4 s GLN 74 Ca 0.14 0.98 0.05 0.00 0.05 0.00 0.00 55.36 56.58 3hd4 s GLN 74 Cb -0.12 -3.48 -0.07 0.00 1.10 0.00 0.00 33.01 30.45 3hd4 s GLN 74 CO 0.03 -0.03 0.15 1.97 -0.55 0.00 0.00 175.29 176.86 3hd4 n PHE 75 N 4.10 0.00 -4.00 1.67 1.16 0.37 -4.58 117.46 116.17 3hd4 n PHE 75 Ca 0.01 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.25 3hd4 n PHE 75 Cb 0.51 -0.06 -0.15 0.00 -1.61 0.00 0.00 39.48 38.17 3hd4 n PHE 75 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 3hd4 s GLN 76 N -1.93 2.56 0.49 3.97 0.74 -0.69 -5.04 119.66 119.74 3hd4 s GLN 76 Ca -0.00 -1.16 -0.24 0.00 0.05 0.00 0.00 55.36 54.02 3hd4 s GLN 76 Cb 0.03 -2.96 -0.07 0.00 1.10 0.00 0.00 33.01 31.11 3hd4 s GLN 76 CO 0.20 -0.49 1.31 1.63 -0.55 0.00 0.00 175.29 177.39 3hd4 n LYS 77 N 4.58 1.82 -0.50 1.67 5.02 -1.26 -3.49 118.16 126.00 3hd4 n LYS 77 Ca -0.15 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 3hd4 n LYS 77 Cb 0.45 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 3hd4 n LYS 77 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hd4 n GLY 78 N 0.79 0.75 3.76 0.72 0.00 -1.26 -5.04 105.19 104.91 3hd4 n GLY 78 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3hd4 n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hd4 s LYS 79 N -0.50 4.11 0.01 1.61 -0.14 -1.23 -5.06 119.74 118.53 3hd4 s LYS 79 Ca 0.00 0.13 -0.26 0.00 -1.36 0.00 0.00 55.97 54.49 3hd4 s LYS 79 Cb 0.00 -3.36 -0.05 0.00 -1.68 0.00 0.00 37.83 32.74 3hd4 s LYS 79 CO 0.00 0.38 0.80 -2.00 -0.76 0.00 0.00 175.35 173.76 3hd4 s GLU 80 N 0.04 4.50 -0.22 1.68 2.56 -1.26 -5.00 118.70 121.00 3hd4 s GLU 80 Ca 0.18 1.10 -0.29 0.00 0.00 0.00 0.00 54.97 55.96 3hd4 s GLU 80 Cb -0.14 -3.40 -0.01 0.00 2.00 0.00 0.00 34.13 32.58 3hd4 s GLU 80 CO 0.06 0.16 1.35 0.12 -0.56 0.00 0.00 175.26 176.38 3hd4 s PHE 81 N 0.37 2.64 0.06 5.30 5.36 -1.26 -4.78 117.98 125.66 3hd4 s PHE 81 Ca 0.41 0.85 -0.27 0.00 -0.96 0.00 0.00 56.93 56.96 3hd4 s PHE 81 Cb -0.20 -3.75 0.09 0.00 -0.34 0.00 0.00 43.02 38.82 3hd4 s PHE 81 CO 0.23 -1.99 0.83 1.14 -1.46 0.00 0.00 175.22 173.97 3hd4 s GLN 82 N 3.95 1.00 0.12 10.12 1.03 -1.26 -5.00 119.66 129.63 3hd4 s GLN 82 Ca 0.58 -0.40 0.04 0.00 0.04 0.00 0.00 55.36 55.62 3hd4 s GLN 82 Cb -0.21 0.44 -0.04 0.00 0.03 0.00 0.00 33.01 33.23 3hd4 s GLN 82 CO 0.21 -0.44 -0.09 -0.06 -2.54 0.00 0.00 175.29 172.36 3hd4 s PHE 83 N -3.30 1.12 0.58 9.60 0.08 -1.26 -3.99 117.98 120.81 3hd4 s PHE 83 Ca 0.05 -0.77 -0.19 0.00 0.12 0.00 0.00 56.93 56.14 3hd4 s PHE 83 Cb -0.01 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.80 3hd4 s PHE 83 CO -0.08 0.00 1.16 0.00 -0.10 0.00 0.00 175.22 176.20 3hd4 s ALA 84 N -3.19 2.59 0.24 5.36 0.00 -1.26 -4.91 121.76 120.60 3hd4 s ALA 84 Ca 0.13 0.87 -0.31 0.00 0.00 0.00 0.00 51.96 52.64 3hd4 s ALA 84 Cb 0.02 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.63 3hd4 s ALA 84 CO -0.01 -1.02 1.68 -1.91 0.00 0.00 0.00 175.76 174.50 3hd4 n GLU 85 N -1.59 2.77 0.00 0.00 2.13 -1.26 -0.81 120.64 121.88 3hd4 n GLU 85 Ca 0.12 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.94 3hd4 n GLU 85 Cb 0.51 -2.82 0.00 0.00 0.27 0.00 0.00 31.44 29.40 3hd4 n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hd4 n GLY 86 N 3.27 2.22 3.68 8.31 0.00 -1.19 -5.04 105.19 116.43 3hd4 n GLY 86 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 3hd4 n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hd4 s GLN 87 N -0.86 2.19 0.00 1.61 -0.21 0.01 -4.30 119.66 118.10 3hd4 s GLN 87 Ca 0.00 -1.70 0.00 0.00 0.02 0.00 0.00 55.36 53.68 3hd4 s GLN 87 Cb 0.00 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 32.00 3hd4 s GLN 87 CO 0.00 0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.67 3hd4 n GLY 88 N -1.06 0.59 3.69 3.09 0.00 -1.26 -4.36 105.19 105.88 3hd4 n GLY 88 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3hd4 n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hd4 s VAL 89 N -2.00 5.04 0.38 1.61 1.01 -1.26 -4.98 120.40 120.21 3hd4 s VAL 89 Ca 0.00 1.29 -0.26 0.00 0.00 0.00 0.00 61.98 63.00 3hd4 s VAL 89 Cb 0.00 -3.98 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 3hd4 s VAL 89 CO 0.00 0.19 1.17 -2.65 0.00 0.00 0.00 175.10 173.80 3hd4 n PRO 90 N 4.40 1.74 -3.55 2.72 -0.02 -1.26 -4.70 135.00 134.33 3hd4 n PRO 90 Ca -0.02 0.62 -0.37 0.00 -2.02 0.00 0.00 63.50 61.71 3hd4 n PRO 90 Cb 0.50 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 3hd4 n PRO 90 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3hd4 s ILE 91 N -1.18 5.09 -0.06 4.25 -4.36 0.07 -4.99 121.20 120.02 3hd4 s ILE 91 Ca 0.60 0.72 -0.06 0.00 -0.26 0.00 0.00 60.65 61.65 3hd4 s ILE 91 Cb -0.56 -3.67 0.02 0.00 1.25 0.00 0.00 42.46 39.50 3hd4 s ILE 91 CO 0.59 0.54 0.18 0.00 0.24 0.00 0.00 174.94 176.49 3hd4 s ALA 92 N -1.12 -0.43 0.27 2.27 0.00 -1.26 -4.51 121.76 116.97 3hd4 s ALA 92 Ca 0.24 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 3hd4 s ALA 92 Cb -0.16 -0.28 -0.13 0.00 0.00 0.00 0.00 23.12 22.55 3hd4 s ALA 92 CO 0.13 -0.09 1.32 0.09 0.00 0.00 0.00 175.76 177.22 3hd4 n ASN 93 N 2.96 2.53 0.00 0.00 3.02 -1.26 -2.20 115.26 120.31 3hd4 n ASN 93 Ca -0.13 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 3hd4 n ASN 93 Cb 0.59 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 3hd4 n ASN 93 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hd4 n GLY 94 N 1.66 1.06 3.29 7.41 0.00 -1.26 -5.02 105.19 112.33 3hd4 n GLY 94 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3hd4 n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hd4 s ILE 95 N -2.38 3.57 0.68 -0.61 -1.09 -0.93 -5.10 121.20 115.34 3hd4 s ILE 95 Ca 0.00 -0.86 -0.14 0.00 -2.23 0.00 0.00 60.65 57.43 3hd4 s ILE 95 Cb 0.00 -2.86 0.01 0.00 -1.58 0.00 0.00 42.46 38.03 3hd4 s ILE 95 CO 0.00 0.09 1.09 -2.16 -1.23 0.00 0.00 174.94 172.73 3hd4 s PRO 96 N 1.43 2.74 0.52 2.79 0.04 -1.26 -4.72 135.00 136.54 3hd4 s PRO 96 Ca 0.01 1.27 0.27 0.00 0.04 0.00 0.00 61.00 62.60 3hd4 s PRO 96 Cb -0.17 -1.95 1.40 0.00 0.04 0.00 0.00 34.50 33.81 3hd4 s PRO 96 CO 0.00 -1.28 1.94 0.00 0.04 0.00 0.00 177.00 177.70 3hd4 h ALA 97 N -0.27 2.62 0.00 8.56 0.00 -1.97 -0.57 119.26 127.63 3hd4 h ALA 97 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hd4 h ALA 97 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hd4 h ALA 97 CO 0.54 -0.83 0.00 0.66 0.00 0.00 0.00 179.25 179.62 3hd4 h SER 98 N 0.05 0.00 -0.37 0.00 4.64 -1.91 -1.13 113.55 114.82 3hd4 h SER 98 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3hd4 h SER 98 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3hd4 h SER 98 CO -0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.32 3hd4 n GLU 99 N -3.00 2.40 -2.80 4.77 -0.58 -0.22 -4.27 120.64 116.94 3hd4 n GLU 99 Ca -0.01 -2.12 -0.43 0.00 -0.42 0.00 0.00 57.16 54.18 3hd4 n GLU 99 Cb 0.22 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.58 3hd4 n GLU 99 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3hd4 s GLN 100 N -1.52 3.93 -0.20 3.49 -0.21 -0.43 -4.86 119.66 119.86 3hd4 s GLN 100 Ca 0.38 -2.13 -0.16 0.00 0.02 0.00 0.00 55.36 53.46 3hd4 s GLN 100 Cb 0.22 -5.20 0.06 0.00 1.00 0.00 0.00 33.01 29.09 3hd4 s GLN 100 CO 0.31 -1.95 0.53 -1.59 -2.12 0.00 0.00 175.29 170.47 3hd4 s LYS 101 N 2.84 0.59 0.00 2.91 -2.85 -1.26 -0.72 119.74 121.25 3hd4 s LYS 101 Ca 0.44 0.81 0.00 0.00 -1.00 0.00 0.00 55.97 56.22 3hd4 s LYS 101 Cb -0.01 0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 3hd4 s LYS 101 CO -0.00 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.76 3hd4 n GLY 102 N 3.25 -0.54 3.16 0.59 0.00 -0.45 -0.80 105.19 110.40 3hd4 n GLY 102 Ca -0.16 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 3hd4 n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hd4 s TYR 103 N -3.19 0.05 -0.06 1.61 -0.85 -0.35 -1.26 117.35 113.30 3hd4 s TYR 103 Ca 0.00 -0.23 -0.14 0.00 -0.52 0.00 0.00 57.07 56.18 3hd4 s TYR 103 Cb 0.00 -0.04 -0.05 0.00 0.38 0.00 0.00 41.96 42.25 3hd4 s TYR 103 CO 0.00 -0.39 0.35 -1.58 -1.52 0.00 0.00 175.55 172.42 3hd4 s TRP 104 N -2.22 3.65 -0.11 -3.49 0.52 0.64 -0.93 118.94 117.00 3hd4 s TRP 104 Ca -0.08 0.85 0.03 0.00 0.02 0.00 0.00 56.10 56.92 3hd4 s TRP 104 Cb -0.03 -2.27 0.01 0.00 -1.15 0.00 0.00 33.47 30.03 3hd4 s TRP 104 CO -0.02 0.55 -0.20 -0.47 0.02 0.00 0.00 176.95 176.83 3hd4 s TYR 105 N -0.66 2.33 -0.23 -1.98 5.04 0.55 -0.74 117.35 121.66 3hd4 s TYR 105 Ca 0.21 -1.05 -0.22 0.00 -2.44 0.00 0.00 57.07 53.57 3hd4 s TYR 105 Cb -0.15 -1.60 -0.01 0.00 0.35 0.00 0.00 41.96 40.54 3hd4 s TYR 105 CO 0.10 -0.47 0.72 0.50 -1.34 0.00 0.00 175.55 175.06 3hd4 s ARG 106 N 0.67 4.17 -0.61 4.97 3.52 0.83 -0.95 118.95 131.55 3hd4 s ARG 106 Ca -0.12 0.75 -0.24 0.00 -0.13 0.00 0.00 55.73 55.99 3hd4 s ARG 106 Cb -0.16 -3.63 0.05 0.00 -1.56 0.00 0.00 34.95 29.65 3hd4 s ARG 106 CO 0.03 -0.41 1.01 -1.58 -0.81 0.00 0.00 175.30 173.53 3hd4 s HIS 107 N 2.49 2.67 0.50 5.12 5.65 0.78 -4.97 115.29 127.53 3hd4 s HIS 107 Ca 0.31 -0.16 0.07 0.00 0.25 0.00 0.00 55.06 55.53 3hd4 s HIS 107 Cb -0.16 -4.24 0.02 0.00 -1.18 0.00 0.00 32.58 27.02 3hd4 s HIS 107 CO 0.09 -1.56 0.48 1.21 -0.65 0.00 0.00 174.74 174.31 3hd4 s ASN 108 N 3.24 4.93 -1.56 9.88 2.47 -1.26 -2.55 114.94 130.09 3hd4 s ASN 108 Ca 0.29 -0.93 -0.01 0.00 0.42 0.00 0.00 52.86 52.62 3hd4 s ASN 108 Cb -0.13 -0.03 0.00 0.00 -1.45 0.00 0.00 41.25 39.64 3hd4 s ASN 108 CO 0.16 -0.97 0.13 0.54 -3.72 0.00 0.00 177.10 173.25 3hd4 n ARG 109 N -1.79 -2.46 -2.36 0.43 5.12 -1.26 -4.93 116.66 109.42 3hd4 n ARG 109 Ca 0.04 0.88 -0.36 0.00 -1.93 0.00 0.00 57.85 56.48 3hd4 n ARG 109 Cb 0.62 -5.57 -0.02 0.00 -1.16 0.00 0.00 32.46 26.34 3hd4 n ARG 109 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3hd4 s ARG 110 N -5.21 3.74 0.19 5.56 0.52 -1.26 -4.93 118.95 117.57 3hd4 s ARG 110 Ca 0.07 1.62 -0.12 0.00 -0.52 0.00 0.00 55.73 56.78 3hd4 s ARG 110 Cb -0.03 -2.28 0.00 0.00 0.52 0.00 0.00 34.95 33.16 3hd4 s ARG 110 CO 0.09 -0.53 0.40 -1.12 0.02 0.00 0.00 175.30 174.15 3hd4 s SER 111 N -1.60 -0.08 -0.02 0.23 0.01 -1.26 -1.15 113.70 109.83 3hd4 s SER 111 Ca 0.65 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 57.17 3hd4 s SER 111 Cb -0.24 0.51 0.01 0.00 0.21 0.00 0.00 66.02 66.51 3hd4 s SER 111 CO 0.29 -0.99 -0.04 0.12 0.41 0.00 0.00 173.24 173.03 3hd4 s PHE 112 N -3.95 0.53 -0.50 2.43 5.36 0.03 -4.89 117.98 116.99 3hd4 s PHE 112 Ca 0.16 -0.11 -0.22 0.00 -0.96 0.00 0.00 56.93 55.80 3hd4 s PHE 112 Cb 0.01 -0.44 0.04 0.00 -0.34 0.00 0.00 43.02 42.30 3hd4 s PHE 112 CO 0.01 -0.08 0.75 -1.59 -1.46 0.00 0.00 175.22 172.84 3hd4 s LYS 113 N 0.39 3.26 0.69 10.12 -2.85 -1.26 -1.02 119.74 129.07 3hd4 s LYS 113 Ca -0.04 -0.48 -0.15 0.00 -1.00 0.00 0.00 55.97 54.30 3hd4 s LYS 113 Cb -0.08 -4.03 0.02 0.00 -2.06 0.00 0.00 37.83 31.67 3hd4 s LYS 113 CO -0.00 -1.25 1.14 0.95 0.10 0.00 0.00 175.35 176.29 3hd4 s THR 114 N 3.17 2.95 0.52 3.79 -4.23 -0.86 -4.89 115.64 116.09 3hd4 s THR 114 Ca 0.23 0.44 0.35 0.00 -1.18 0.00 0.00 61.69 61.53 3hd4 s THR 114 Cb -0.15 -2.95 0.54 0.00 1.34 0.00 0.00 72.50 71.27 3hd4 s THR 114 CO 0.17 -0.28 1.78 -0.65 -0.54 0.00 0.00 174.62 175.11 3hd4 h PRO 115 N -0.16 0.06 0.00 3.99 0.11 -1.96 -3.02 132.00 131.01 3hd4 h PRO 115 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hd4 h PRO 115 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hd4 h PRO 115 CO 0.52 0.04 -0.16 0.38 -0.21 0.00 0.00 178.00 178.58 3hd4 h ASP 116 N 0.06 0.00 0.00 -2.05 3.04 -2.03 -3.49 116.42 111.95 3hd4 h ASP 116 Ca 0.60 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.39 3hd4 h ASP 116 Cb 2.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.54 3hd4 h ASP 116 CO -0.06 0.37 0.00 0.61 -2.04 0.00 0.00 179.24 178.12 3hd4 n GLY 117 N 1.77 0.00 3.68 7.15 0.00 -1.14 -5.11 105.19 111.53 3hd4 n GLY 117 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3hd4 n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hd4 s GLN 118 N 0.00 4.20 -0.59 1.61 -0.21 -1.26 -4.86 119.66 118.55 3hd4 s GLN 118 Ca 0.00 2.25 -0.27 0.00 0.02 0.00 0.00 55.36 57.36 3hd4 s GLN 118 Cb 0.00 -3.73 0.03 0.00 1.00 0.00 0.00 33.01 30.31 3hd4 s GLN 118 CO 0.00 -0.75 1.16 -1.14 -2.12 0.00 0.00 175.29 172.43 3hd4 s GLN 119 N 3.09 3.45 -0.31 2.91 0.74 -1.26 -2.02 119.66 126.26 3hd4 s GLN 119 Ca 0.73 0.11 -0.22 0.00 0.05 0.00 0.00 55.36 56.03 3hd4 s GLN 119 Cb -0.37 -4.04 -0.00 0.00 1.10 0.00 0.00 33.01 29.70 3hd4 s GLN 119 CO 0.31 -1.69 0.70 0.21 -0.55 0.00 0.00 175.29 174.27 3hd4 s LYS 120 N 4.85 3.89 0.15 1.67 2.20 -0.19 -4.93 119.74 127.39 3hd4 s LYS 120 Ca 0.40 0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 56.10 3hd4 s LYS 120 Cb -0.08 -3.74 -0.07 0.00 -1.51 0.00 0.00 37.83 32.43 3hd4 s LYS 120 CO 0.23 -0.65 0.98 -0.65 -0.36 0.00 0.00 175.35 174.90 3hd4 s GLN 121 N 2.79 4.72 0.15 4.03 -0.21 -1.26 -0.79 119.66 129.09 3hd4 s GLN 121 Ca 0.28 1.51 0.08 0.00 0.02 0.00 0.00 55.36 57.25 3hd4 s GLN 121 Cb -0.14 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 3hd4 s GLN 121 CO 0.13 0.26 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.95 3hd4 s LEU 122 N -0.36 2.98 0.67 2.90 1.43 -0.30 -4.94 118.68 121.06 3hd4 s LEU 122 Ca 0.46 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 3hd4 s LEU 122 Cb -0.25 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 3hd4 s LEU 122 CO 0.31 0.13 1.06 -0.76 0.23 0.00 0.00 176.35 177.33 3hd4 s LEU 123 N -2.59 3.06 0.70 1.79 1.43 -1.26 -3.98 118.68 117.83 3hd4 s LEU 123 Ca 0.23 1.35 -0.16 0.00 -1.03 0.00 0.00 54.13 54.52 3hd4 s LEU 123 Cb -0.10 -4.26 0.02 0.00 0.03 0.00 0.00 46.19 41.89 3hd4 s LEU 123 CO 0.14 -1.20 1.25 -2.84 0.23 0.00 0.00 176.35 173.94 3hd4 s PRO 124 N -5.21 2.28 -0.02 1.29 0.02 -1.26 -4.74 135.00 127.35 3hd4 s PRO 124 Ca 0.57 1.93 0.05 0.00 0.02 0.00 0.00 61.00 63.57 3hd4 s PRO 124 Cb -0.12 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 3hd4 s PRO 124 CO 0.53 -1.77 -0.16 0.50 -0.33 0.00 0.00 177.00 175.77 3hd4 s ARG 125 N -3.65 1.45 -0.07 5.54 3.52 -1.06 -1.02 118.95 123.68 3hd4 s ARG 125 Ca 0.79 -0.59 0.01 0.00 -0.13 0.00 0.00 55.73 55.81 3hd4 s ARG 125 Cb -0.34 -1.36 -0.03 0.00 -1.56 0.00 0.00 34.95 31.67 3hd4 s ARG 125 CO 0.43 0.32 -0.09 -1.58 -0.81 0.00 0.00 175.30 173.57 3hd4 s TRP 126 N -0.25 2.88 0.07 5.12 0.52 0.69 -0.15 118.94 127.81 3hd4 s TRP 126 Ca 0.03 -0.04 0.08 0.00 0.02 0.00 0.00 56.10 56.19 3hd4 s TRP 126 Cb -0.08 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 3hd4 s TRP 126 CO 0.00 0.28 -0.20 0.71 0.02 0.00 0.00 176.95 177.76 3hd4 s TYR 127 N -0.75 1.77 -0.06 -1.98 2.02 -0.12 -0.61 117.35 117.62 3hd4 s TYR 127 Ca 0.11 -0.39 -0.15 0.00 -0.37 0.00 0.00 57.07 56.27 3hd4 s TYR 127 Cb -0.11 -1.02 -0.05 0.00 -0.40 0.00 0.00 41.96 40.38 3hd4 s TYR 127 CO 0.01 0.13 0.39 0.12 -1.57 0.00 0.00 175.55 174.64 3hd4 s PHE 128 N -0.95 3.63 -0.02 2.71 5.36 -1.26 -0.33 117.98 127.11 3hd4 s PHE 128 Ca 0.07 0.88 0.04 0.00 -0.96 0.00 0.00 56.93 56.96 3hd4 s PHE 128 Cb -0.09 -2.34 -0.00 0.00 -0.34 0.00 0.00 43.02 40.25 3hd4 s PHE 128 CO 0.03 0.48 -0.13 0.71 -1.46 0.00 0.00 175.22 174.84 3hd4 s TYR 129 N -0.45 1.26 0.59 10.12 2.02 -0.11 -4.30 117.35 126.49 3hd4 s TYR 129 Ca 0.23 -0.30 -0.19 0.00 -0.37 0.00 0.00 57.07 56.44 3hd4 s TYR 129 Cb -0.15 -0.85 -0.04 0.00 -0.40 0.00 0.00 41.96 40.52 3hd4 s TYR 129 CO 0.11 -0.08 1.22 0.71 -1.57 0.00 0.00 175.55 175.93 3hd4 s TYR 130 N -0.06 2.39 0.07 2.71 2.02 -1.26 -1.22 117.35 122.00 3hd4 s TYR 130 Ca 0.00 1.51 -0.35 0.00 -0.37 0.00 0.00 57.07 57.86 3hd4 s TYR 130 Cb -0.08 -3.51 -0.14 0.00 -0.40 0.00 0.00 41.96 37.84 3hd4 s TYR 130 CO 0.00 -2.26 1.62 -0.11 -1.57 0.00 0.00 175.55 173.24 3hd4 n LEU 131 N -1.52 2.94 0.00 -1.29 7.94 0.02 -1.32 117.00 123.77 3hd4 n LEU 131 Ca 0.13 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 56.09 3hd4 n LEU 131 Cb 0.49 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.08 3hd4 n LEU 131 CO 0.45 -0.35 0.00 0.61 -1.11 0.00 0.00 177.39 176.99 3hd4 n GLY 132 N 3.56 0.69 3.45 -3.96 0.00 -1.26 -0.15 105.19 107.52 3hd4 n GLY 132 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 3hd4 n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hd4 s THR 133 N -2.12 1.35 0.00 2.61 -4.23 -0.43 -4.71 115.64 108.11 3hd4 s THR 133 Ca 0.00 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 3hd4 s THR 133 Cb 0.00 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3hd4 s THR 133 CO 0.00 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 3hd4 n GLY 134 N -0.66 -1.89 0.35 3.99 0.00 -1.26 -3.26 105.19 102.45 3hd4 n GLY 134 Ca -0.03 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.59 3hd4 n GLY 134 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hd4 h PRO 135 N 0.00 0.30 -0.91 1.61 0.11 -1.99 -0.97 132.00 130.16 3hd4 h PRO 135 Ca 0.00 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.52 3hd4 h PRO 135 Cb 0.00 -0.07 -0.41 0.00 0.11 0.00 0.00 31.00 30.63 3hd4 h PRO 135 CO 0.00 0.20 -0.59 0.72 -0.21 0.00 0.00 178.00 178.12 3hd4 n HIS 136 N -4.46 2.90 0.30 0.65 8.25 -1.26 -4.79 115.22 116.81 3hd4 n HIS 136 Ca 0.08 -2.43 0.19 0.00 -0.26 0.00 0.00 57.72 55.30 3hd4 n HIS 136 Cb 0.37 -0.44 1.02 0.00 1.12 0.00 0.00 29.99 32.06 3hd4 n HIS 136 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hd4 h ALA 137 N 2.23 1.31 -0.01 -1.41 0.00 -1.15 -0.94 119.26 119.29 3hd4 h ALA 137 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3hd4 h ALA 137 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3hd4 h ALA 137 CO 0.88 -0.12 -0.33 0.41 0.00 0.00 0.00 179.25 180.08 3hd4 n GLY 138 N -1.21 -0.59 3.82 0.00 0.00 -1.26 -4.08 105.19 101.86 3hd4 n GLY 138 Ca -0.02 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 3hd4 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hd4 s ALA 139 N -2.56 3.00 0.23 4.61 0.00 -0.36 -5.06 121.76 121.62 3hd4 s ALA 139 Ca 0.22 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.50 3hd4 s ALA 139 Cb 0.19 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 20.06 3hd4 s ALA 139 CO 0.56 -0.00 0.57 -1.12 0.00 0.00 0.00 175.76 175.76 3hd4 s SER 140 N -2.21 6.66 0.02 0.00 0.01 -1.26 -4.67 113.70 112.25 3hd4 s SER 140 Ca 0.63 0.97 -0.36 0.00 1.31 0.00 0.00 55.95 58.50 3hd4 s SER 140 Cb -0.11 -2.25 -0.15 0.00 0.21 0.00 0.00 66.02 63.73 3hd4 s SER 140 CO 0.16 -0.07 1.55 0.00 0.41 0.00 0.00 173.24 175.29 3hd4 n TYR 141 N -0.08 1.93 0.00 2.43 9.36 -1.26 -1.30 117.16 128.24 3hd4 n TYR 141 Ca 0.00 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.65 3hd4 n TYR 141 Cb 0.52 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.77 3hd4 n TYR 141 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hd4 n GLY 142 N 3.32 1.07 3.62 2.98 0.00 -1.26 -5.04 105.19 109.87 3hd4 n GLY 142 Ca 0.20 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.75 3hd4 n GLY 142 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hd4 n ASP 143 N 0.00 1.93 -4.56 1.61 8.00 -0.42 -4.89 116.55 118.22 3hd4 n ASP 143 Ca 0.00 1.14 -0.43 0.00 0.71 0.00 0.00 54.79 56.21 3hd4 n ASP 143 Cb 0.00 -1.30 -0.05 0.00 -0.02 0.00 0.00 41.12 39.75 3hd4 n ASP 143 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hd4 s SER 144 N 0.14 6.46 -0.04 -2.24 0.15 -1.26 -5.00 113.70 111.91 3hd4 s SER 144 Ca 0.72 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.40 3hd4 s SER 144 Cb -0.77 -2.41 0.03 0.00 -1.71 0.00 0.00 66.02 61.15 3hd4 s SER 144 CO 0.51 -0.95 -0.01 -0.63 1.20 0.00 0.00 173.24 173.36 3hd4 s ILE 145 N 3.45 0.30 0.21 6.45 1.01 -1.26 -5.11 121.20 126.25 3hd4 s ILE 145 Ca 0.33 0.02 -0.32 0.00 0.00 0.00 0.00 60.65 60.68 3hd4 s ILE 145 Cb -0.11 -0.38 -0.13 0.00 0.01 0.00 0.00 42.46 41.84 3hd4 s ILE 145 CO 0.23 0.18 1.57 -0.62 0.00 0.00 0.00 174.94 176.31 3hd4 n GLU 146 N 4.19 2.34 -0.64 2.79 1.02 -1.26 -1.71 120.64 127.37 3hd4 n GLU 146 Ca -0.24 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 3hd4 n GLU 146 Cb 0.50 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 3hd4 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hd4 n GLY 147 N 3.05 0.65 3.02 0.62 0.00 -1.26 -4.93 105.19 106.35 3hd4 n GLY 147 Ca 0.14 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 3hd4 n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hd4 s VAL 148 N -2.00 1.29 -0.13 1.61 1.01 -0.70 -0.12 120.40 121.36 3hd4 s VAL 148 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3hd4 s VAL 148 Cb 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.21 3hd4 s VAL 148 CO 0.00 0.40 -0.12 0.12 0.00 0.00 0.00 175.10 175.50 3hd4 s PHE 149 N 0.98 1.88 0.07 5.22 5.36 0.08 -4.71 117.98 126.86 3hd4 s PHE 149 Ca -0.08 -1.01 -0.23 0.00 -0.96 0.00 0.00 56.93 54.66 3hd4 s PHE 149 Cb -0.15 -1.44 -0.06 0.00 -0.34 0.00 0.00 43.02 41.03 3hd4 s PHE 149 CO -0.01 -0.60 0.69 -1.58 -1.46 0.00 0.00 175.22 172.26 3hd4 s TRP 150 N 1.55 3.79 0.02 10.12 0.52 -1.26 -0.26 118.94 133.42 3hd4 s TRP 150 Ca 0.04 1.41 0.01 0.00 0.02 0.00 0.00 56.10 57.58 3hd4 s TRP 150 Cb -0.13 -2.69 -0.02 0.00 -1.15 0.00 0.00 33.47 29.49 3hd4 s TRP 150 CO -0.09 0.43 -0.04 0.14 0.02 0.00 0.00 176.95 177.41 3hd4 s VAL 151 N -0.61 0.20 -0.17 4.03 -7.23 -0.39 -4.96 120.40 111.26 3hd4 s VAL 151 Ca 0.34 -0.76 -0.28 0.00 -1.81 0.00 0.00 61.98 59.47 3hd4 s VAL 151 Cb -0.20 -0.29 0.08 0.00 0.56 0.00 0.00 36.38 36.52 3hd4 s VAL 151 CO 0.22 -0.36 0.75 0.00 -0.31 0.00 0.00 175.10 175.40 3hd4 s ALA 152 N -1.13 -1.80 0.59 1.32 0.00 -1.26 -1.34 121.76 118.13 3hd4 s ALA 152 Ca -0.11 1.68 -0.17 0.00 0.00 0.00 0.00 51.96 53.36 3hd4 s ALA 152 Cb -0.08 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 3hd4 s ALA 152 CO -0.01 -0.34 1.10 1.21 0.00 0.00 0.00 175.76 177.73 3hd4 s ASN 153 N -0.41 5.58 0.58 0.00 3.84 0.10 -3.19 114.94 121.43 3hd4 s ASN 153 Ca -0.05 2.03 0.34 0.00 0.21 0.00 0.00 52.86 55.40 3hd4 s ASN 153 Cb -0.03 -2.56 1.75 0.00 -0.55 0.00 0.00 41.25 39.86 3hd4 s ASN 153 CO 0.04 -1.31 2.15 0.77 -2.79 0.00 0.00 177.10 175.96 3hd4 h SER 154 N 0.69 0.00 0.31 -4.21 4.64 -1.90 -2.04 113.55 111.05 3hd4 h SER 154 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3hd4 h SER 154 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3hd4 h SER 154 CO 0.56 0.05 -0.08 0.00 -0.87 0.00 0.00 176.83 176.49 3hd4 n GLN 155 N -3.35 0.77 -3.34 4.77 1.13 -1.26 -4.87 117.38 111.22 3hd4 n GLN 155 Ca -0.02 -0.24 -0.35 0.00 -1.94 0.00 0.00 57.00 54.46 3hd4 n GLN 155 Cb 0.20 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.99 3hd4 n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hd4 s ALA 156 N -2.40 3.56 -0.55 -1.58 0.00 -0.77 -4.44 121.76 115.58 3hd4 s ALA 156 Ca 0.32 -0.12 -0.18 0.00 0.00 0.00 0.00 51.96 51.98 3hd4 s ALA 156 Cb 0.20 -2.54 0.10 0.00 0.00 0.00 0.00 23.12 20.88 3hd4 s ALA 156 CO 0.45 0.45 0.58 0.34 0.00 0.00 0.00 175.76 177.58 3hd4 s ASP 157 N -1.80 6.19 0.00 0.00 -1.08 -1.26 -4.91 116.67 113.80 3hd4 s ASP 157 Ca 0.40 -1.45 0.20 0.00 -0.52 0.00 0.00 52.55 51.17 3hd4 s ASP 157 Cb -0.15 -2.25 1.17 0.00 -1.46 0.00 0.00 42.92 40.23 3hd4 s ASP 157 CO 0.19 -0.94 1.59 0.35 0.52 0.00 0.00 175.17 176.89 3hd4 n THR 158 N 5.41 0.00 1.07 1.71 -2.24 -1.26 -2.76 114.28 116.22 3hd4 n THR 158 Ca -0.11 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.80 3hd4 n THR 158 Cb 0.42 -0.56 0.41 0.00 -2.10 0.00 0.00 70.33 68.49 3hd4 n THR 158 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hd4 n ASN 159 N -0.92 0.41 -4.26 3.42 3.02 -1.26 -4.38 115.26 111.28 3hd4 n ASN 159 Ca 0.15 -0.15 -0.24 0.00 -0.03 0.00 0.00 54.58 54.31 3hd4 n ASN 159 Cb 0.07 -0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.10 3hd4 n ASN 159 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hd4 s THR 160 N -2.89 1.64 0.81 3.41 -4.23 -1.11 -5.06 115.64 108.21 3hd4 s THR 160 Ca 0.15 -1.36 -0.11 0.00 -1.18 0.00 0.00 61.69 59.19 3hd4 s THR 160 Cb 0.18 -1.46 0.08 0.00 1.34 0.00 0.00 72.50 72.64 3hd4 s THR 160 CO 0.61 0.05 1.13 0.00 -0.54 0.00 0.00 174.62 175.87 3hd4 s ARG 161 N -1.55 1.82 0.51 3.99 1.70 -1.26 -4.94 118.95 119.21 3hd4 s ARG 161 Ca 0.06 1.42 -0.22 0.00 -0.47 0.00 0.00 55.73 56.52 3hd4 s ARG 161 Cb -0.09 -1.83 -0.06 0.00 -0.57 0.00 0.00 34.95 32.40 3hd4 s ARG 161 CO 0.03 -2.01 1.22 0.45 -1.08 0.00 0.00 175.30 173.91 3hd4 s SER 162 N -2.85 5.74 0.00 -2.89 0.15 0.79 -4.93 113.70 109.70 3hd4 s SER 162 Ca 0.66 2.44 0.27 0.00 0.70 0.00 0.00 55.95 60.02 3hd4 s SER 162 Cb -0.21 -2.61 0.93 0.00 -1.71 0.00 0.00 66.02 62.42 3hd4 s SER 162 CO 0.54 -1.22 1.67 0.47 1.20 0.00 0.00 173.24 175.90 3hd4 n ASP 163 N -0.86 1.15 -4.67 5.45 8.00 -1.26 -4.86 116.55 119.50 3hd4 n ASP 163 Ca 0.09 -1.11 -0.42 0.00 0.71 0.00 0.00 54.79 54.07 3hd4 n ASP 163 Cb 0.48 0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.60 3hd4 n ASP 163 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hd4 s ILE 164 N -2.29 4.85 0.56 0.53 -1.09 -1.26 -5.03 121.20 117.47 3hd4 s ILE 164 Ca 0.31 1.68 -0.17 0.00 -2.23 0.00 0.00 60.65 60.24 3hd4 s ILE 164 Cb 0.20 -4.16 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 3hd4 s ILE 164 CO 0.44 -0.00 1.05 -0.69 -1.23 0.00 0.00 174.94 174.51 3hd4 s VAL 165 N 2.30 3.79 0.44 2.92 1.01 -1.26 -4.95 120.40 124.65 3hd4 s VAL 165 Ca 0.39 0.94 -0.26 0.00 0.00 0.00 0.00 61.98 63.05 3hd4 s VAL 165 Cb -0.16 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 3hd4 s VAL 165 CO 0.12 -0.41 1.40 -0.62 0.00 0.00 0.00 175.10 175.59 3hd4 n GLU 166 N -1.65 2.22 -1.87 2.72 1.02 -1.26 -4.91 120.64 116.90 3hd4 n GLU 166 Ca 0.09 0.79 -0.42 0.00 -0.02 0.00 0.00 57.16 57.60 3hd4 n GLU 166 Cb 0.53 -2.58 -0.03 0.00 -0.02 0.00 0.00 31.44 29.34 3hd4 n GLU 166 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3hd4 s ARG 167 N -2.36 4.19 -0.39 3.49 3.52 -1.26 -4.98 118.95 121.15 3hd4 s ARG 167 Ca 0.60 2.43 -0.16 0.00 -0.13 0.00 0.00 55.73 58.48 3hd4 s ARG 167 Cb -0.47 -3.21 0.01 0.00 -1.56 0.00 0.00 34.95 29.72 3hd4 s ARG 167 CO 0.58 -0.67 0.35 0.34 -0.81 0.00 0.00 175.30 175.09 3hd4 s ASP 168 N 1.40 6.14 0.57 -2.12 2.15 -1.26 -4.68 116.67 118.87 3hd4 s ASP 168 Ca 0.72 -0.66 0.28 0.00 0.43 0.00 0.00 52.55 53.33 3hd4 s ASP 168 Cb -0.45 -2.18 1.71 0.00 -0.30 0.00 0.00 42.92 41.69 3hd4 s ASP 168 CO 0.32 -0.45 2.21 -0.65 -0.17 0.00 0.00 175.17 176.42 3hd4 h PRO 169 N 8.62 0.00 0.00 4.34 0.11 -1.94 -0.09 132.00 143.03 3hd4 h PRO 169 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3hd4 h PRO 169 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hd4 h PRO 169 CO 0.73 0.03 0.00 0.66 -0.21 0.00 0.00 178.00 179.22 3hd4 h SER 170 N 0.00 0.00 0.00 -2.05 4.64 -2.03 -3.33 113.55 110.78 3hd4 h SER 170 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hd4 h SER 170 Cb 0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3hd4 h SER 170 CO 0.00 0.00 -1.19 -1.54 -0.87 0.00 0.00 176.83 173.23 3hd4 n SER 171 N -2.31 4.11 -3.79 4.97 3.41 -0.21 -5.03 113.62 114.77 3hd4 n SER 171 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 3hd4 n SER 171 Cb 0.35 1.06 -0.13 0.00 -0.26 0.00 0.00 64.21 65.23 3hd4 n SER 171 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3hd4 s HIS 172 N -2.23 -0.19 0.42 7.33 3.76 -0.26 -5.05 115.29 119.07 3hd4 s HIS 172 Ca -0.01 0.49 -0.11 0.00 -0.15 0.00 0.00 55.06 55.27 3hd4 s HIS 172 Cb 0.02 0.02 -0.07 0.00 1.11 0.00 0.00 32.58 33.66 3hd4 s HIS 172 CO 0.16 -0.13 0.81 -1.21 -0.85 0.00 0.00 174.74 173.52 3hd4 s GLU 173 N 0.54 3.80 0.76 1.40 2.02 -1.26 -4.14 118.70 121.82 3hd4 s GLU 173 Ca -0.04 0.55 -0.13 0.00 0.02 0.00 0.00 54.97 55.38 3hd4 s GLU 173 Cb -0.05 -2.35 0.05 0.00 0.10 0.00 0.00 34.13 31.88 3hd4 s GLU 173 CO -0.03 -0.08 1.13 0.00 0.02 0.00 0.00 175.26 176.31 3hd4 s ALA 174 N -2.42 2.13 0.27 5.21 0.00 -1.26 -5.00 121.76 120.69 3hd4 s ALA 174 Ca 0.52 0.55 0.11 0.00 0.00 0.00 0.00 51.96 53.15 3hd4 s ALA 174 Cb -0.10 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 3hd4 s ALA 174 CO 0.31 -1.85 -0.15 0.96 0.00 0.00 0.00 175.76 175.03 3hd4 s ILE 175 N -2.48 2.73 0.46 0.00 -4.36 0.31 -4.93 121.20 112.93 3hd4 s ILE 175 Ca 0.67 -2.26 -0.25 0.00 -0.26 0.00 0.00 60.65 58.55 3hd4 s ILE 175 Cb -0.22 -2.43 -0.08 0.00 1.25 0.00 0.00 42.46 40.98 3hd4 s ILE 175 CO 0.50 -0.38 1.43 -2.84 0.24 0.00 0.00 174.94 173.89 3hd4 s PRO 176 N -3.51 3.61 -0.15 0.37 0.02 -1.26 -1.93 135.00 132.15 3hd4 s PRO 176 Ca 0.30 2.42 -0.28 0.00 0.02 0.00 0.00 61.00 63.46 3hd4 s PRO 176 Cb -0.06 -2.61 -0.01 0.00 0.02 0.00 0.00 34.50 31.85 3hd4 s PRO 176 CO 0.16 -0.88 0.95 0.99 -0.33 0.00 0.00 177.00 177.89 3hd4 s THR 177 N -1.21 4.80 0.09 0.99 2.01 -1.26 -4.73 115.64 116.34 3hd4 s THR 177 Ca 0.62 1.89 0.02 0.00 0.31 0.00 0.00 61.69 64.53 3hd4 s THR 177 Cb -0.44 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 67.79 3hd4 s THR 177 CO 0.56 -0.02 -0.08 -0.13 -0.69 0.00 0.00 174.62 174.26 3hd4 s ARG 178 N 2.28 0.81 0.26 4.92 1.81 -1.26 -4.94 118.95 122.83 3hd4 s ARG 178 Ca 0.44 -1.22 0.05 0.00 -1.72 0.00 0.00 55.73 53.28 3hd4 s ARG 178 Cb -0.17 -0.32 -0.06 0.00 -0.45 0.00 0.00 34.95 33.96 3hd4 s ARG 178 CO 0.14 0.02 -0.04 -0.06 -0.68 0.00 0.00 175.30 174.68 3hd4 s PHE 179 N -3.00 1.80 0.33 -0.53 0.08 -1.26 -0.75 117.98 114.64 3hd4 s PHE 179 Ca 0.07 -0.78 -0.29 0.00 0.12 0.00 0.00 56.93 56.05 3hd4 s PHE 179 Cb 0.01 -1.03 -0.12 0.00 -0.57 0.00 0.00 43.02 41.31 3hd4 s PHE 179 CO -0.03 0.16 1.48 0.00 -0.10 0.00 0.00 175.22 176.74 3hd4 n ALA 180 N -0.52 2.12 -1.62 5.36 0.00 -1.26 -4.87 120.51 119.72 3hd4 n ALA 180 Ca -0.05 0.36 -0.48 0.00 0.00 0.00 0.00 53.44 53.27 3hd4 n ALA 180 Cb 0.64 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 3hd4 n ALA 180 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hd4 n PRO 181 N 1.22 1.51 0.00 0.00 -0.02 -1.26 -1.72 135.00 134.72 3hd4 n PRO 181 Ca 0.05 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3hd4 n PRO 181 Cb 0.37 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3hd4 n PRO 181 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hd4 n GLY 182 N 2.23 0.41 3.65 -1.23 0.00 -1.26 -5.05 105.19 103.94 3hd4 n GLY 182 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3hd4 n GLY 182 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hd4 s THR 183 N -2.00 4.25 -0.32 2.61 2.01 -0.70 -4.98 115.64 116.51 3hd4 s THR 183 Ca 0.00 1.48 -0.26 0.00 0.31 0.00 0.00 61.69 63.23 3hd4 s THR 183 Cb 0.00 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.45 3hd4 s THR 183 CO 0.00 -0.25 0.91 -0.69 -0.69 0.00 0.00 174.62 173.90 3hd4 s VAL 184 N 3.79 4.67 0.44 3.82 1.01 -1.26 -5.03 120.40 127.83 3hd4 s VAL 184 Ca 0.55 1.38 -0.21 0.00 0.00 0.00 0.00 61.98 63.70 3hd4 s VAL 184 Cb -0.20 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.81 3hd4 s VAL 184 CO 0.17 -0.37 0.97 -0.76 0.00 0.00 0.00 175.10 175.11 3hd4 s LEU 185 N 3.27 3.94 0.32 3.92 1.02 -1.26 -4.73 118.68 125.16 3hd4 s LEU 185 Ca 0.38 1.76 -0.29 0.00 0.02 0.00 0.00 54.13 56.00 3hd4 s LEU 185 Cb -0.13 -4.51 -0.10 0.00 0.02 0.00 0.00 46.19 41.46 3hd4 s LEU 185 CO 0.14 -0.45 1.38 -2.84 0.02 0.00 0.00 176.35 174.60 3hd4 s PRO 186 N -3.12 4.28 0.36 1.29 0.02 -1.26 -4.95 135.00 131.62 3hd4 s PRO 186 Ca 0.63 2.31 -0.27 0.00 0.02 0.00 0.00 61.00 63.68 3hd4 s PRO 186 Cb -0.11 -3.06 -0.09 0.00 0.02 0.00 0.00 34.50 31.25 3hd4 s PRO 186 CO 0.15 -0.32 1.25 -0.65 -0.33 0.00 0.00 177.00 177.11 3hd4 s GLN 187 N -1.49 4.21 0.00 5.54 -0.21 -1.26 -3.36 119.66 123.09 3hd4 s GLN 187 Ca 0.52 2.08 0.00 0.00 0.02 0.00 0.00 55.36 57.98 3hd4 s GLN 187 Cb -0.42 -2.91 0.00 0.00 1.00 0.00 0.00 33.01 30.68 3hd4 s GLN 187 CO 0.53 -0.26 0.00 0.41 -2.12 0.00 0.00 175.29 173.85 3hd4 n GLY 188 N 0.77 0.85 3.17 3.09 0.00 -1.26 -4.72 105.19 107.09 3hd4 n GLY 188 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 3hd4 n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hd4 s PHE 189 N -2.06 1.36 0.04 1.61 0.40 -1.21 -0.48 117.98 117.63 3hd4 s PHE 189 Ca 0.00 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.00 3hd4 s PHE 189 Cb 0.00 -0.80 -0.02 0.00 0.51 0.00 0.00 43.02 42.70 3hd4 s PHE 189 CO 0.00 0.05 -0.12 1.52 0.70 0.00 0.00 175.22 177.38 3hd4 s TYR 190 N -0.87 1.00 -0.20 0.36 -0.85 0.28 -4.92 117.35 112.16 3hd4 s TYR 190 Ca 0.03 -0.39 -0.24 0.00 -0.52 0.00 0.00 57.07 55.94 3hd4 s TYR 190 Cb -0.08 -0.59 -0.01 0.00 0.38 0.00 0.00 41.96 41.66 3hd4 s TYR 190 CO 0.01 0.01 0.79 0.08 -1.52 0.00 0.00 175.55 174.92 3hd4 s VAL 191 N -1.03 4.89 0.37 -3.49 1.01 -1.26 -0.34 120.40 120.55 3hd4 s VAL 191 Ca -0.02 1.52 -0.28 0.00 0.00 0.00 0.00 61.98 63.20 3hd4 s VAL 191 Cb -0.08 -4.09 -0.11 0.00 0.00 0.00 0.00 36.38 32.09 3hd4 s VAL 191 CO 0.01 0.01 1.47 -1.61 0.00 0.00 0.00 175.10 174.98 3hd4 s GLU 192 N 2.35 4.14 -0.15 2.72 0.41 0.10 -2.38 118.70 125.89 3hd4 s GLU 192 Ca 0.35 2.53 0.00 0.00 -0.41 0.00 0.00 54.97 57.44 3hd4 s GLU 192 Cb -0.16 -2.98 0.00 0.00 -1.78 0.00 0.00 34.13 29.21 3hd4 s GLU 192 CO 0.10 -0.50 0.00 0.41 -0.49 0.00 0.00 175.26 174.78 3hd4 n GLY 193 N 0.59 0.49 0.00 -1.39 0.00 -1.26 -4.55 105.19 99.07 3hd4 n GLY 193 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3hd4 n GLY 193 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06