#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx7 s SER 2 N 0.00 5.98 0.43 7.83 1.04 -1.26 -5.05 113.70 122.68 3hx7 s SER 2 Ca 0.00 0.80 -0.25 0.00 0.48 0.00 0.00 55.95 56.98 3hx7 s SER 2 Cb 0.00 -2.00 -0.08 0.00 0.10 0.00 0.00 66.02 64.04 3hx7 s SER 2 CO 0.00 -0.77 1.35 -0.55 0.98 0.00 0.00 173.24 174.25 3hx7 s SER 3 N -4.19 6.10 0.25 7.02 0.15 -1.26 -4.92 113.70 116.85 3hx7 s SER 3 Ca 0.50 2.74 0.16 0.00 0.70 0.00 0.00 55.95 60.05 3hx7 s SER 3 Cb -0.10 -2.64 0.89 0.00 -1.71 0.00 0.00 66.02 62.45 3hx7 s SER 3 CO 0.44 -1.01 1.49 0.00 1.20 0.00 0.00 173.24 175.37 3hx7 n GLN 4 N -0.07 0.11 -0.00 5.44 10.64 -1.26 -1.59 117.38 130.65 3hx7 n GLN 4 Ca 0.05 0.60 0.05 0.00 -1.83 0.00 0.00 57.00 55.87 3hx7 n GLN 4 Cb 0.43 -1.87 -0.07 0.00 -0.86 0.00 0.00 30.24 27.87 3hx7 n GLN 4 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3hx7 n ILE 5 N -2.07 0.00 -1.75 -0.39 -5.35 -1.26 -5.02 119.36 103.51 3hx7 n ILE 5 Ca -0.01 -0.25 -0.42 0.00 -0.27 0.00 0.00 62.75 61.80 3hx7 n ILE 5 Cb 0.05 0.75 -0.03 0.00 -1.74 0.00 0.00 39.64 38.67 3hx7 n ILE 5 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3hx7 s ARG 6 N -2.27 4.13 -0.30 6.28 3.52 -0.62 -4.84 118.95 124.85 3hx7 s ARG 6 Ca 0.01 2.59 -0.12 0.00 -0.13 0.00 0.00 55.73 58.09 3hx7 s ARG 6 Cb 0.08 -3.06 0.12 0.00 -1.56 0.00 0.00 34.95 30.53 3hx7 s ARG 6 CO 0.45 -0.72 0.70 -1.14 -0.81 0.00 0.00 175.30 173.78 3hx7 s GLN 7 N 0.75 0.58 -1.52 5.12 0.74 -1.26 -4.94 119.66 119.13 3hx7 s GLN 7 Ca 0.72 1.33 -0.06 0.00 0.05 0.00 0.00 55.36 57.40 3hx7 s GLN 7 Cb -0.49 0.66 0.01 0.00 1.10 0.00 0.00 33.01 34.29 3hx7 s GLN 7 CO 0.36 -0.18 0.74 -1.71 -0.55 0.00 0.00 175.29 173.95 3hx7 n ASN 8 N 5.12 -6.15 -3.85 6.67 5.15 -1.26 -4.98 115.26 115.96 3hx7 n ASN 8 Ca -0.14 -0.35 -0.30 0.00 -0.60 0.00 0.00 54.58 53.19 3hx7 n ASN 8 Cb 0.52 -4.94 -0.14 0.00 -0.53 0.00 0.00 39.78 34.69 3hx7 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx7 s TYR 9 N -3.21 2.67 0.63 1.20 5.04 -1.26 -4.81 117.35 117.61 3hx7 s TYR 9 Ca 0.37 -2.64 -0.18 0.00 -2.44 0.00 0.00 57.07 52.18 3hx7 s TYR 9 Cb -0.17 -2.35 -0.02 0.00 0.35 0.00 0.00 41.96 39.77 3hx7 s TYR 9 CO 0.46 -0.83 1.25 -1.54 -1.34 0.00 0.00 175.55 173.56 3hx7 s SER 10 N 0.52 4.82 0.03 4.32 1.04 -1.26 -4.88 113.70 118.29 3hx7 s SER 10 Ca 0.15 2.51 0.21 0.00 0.48 0.00 0.00 55.95 59.29 3hx7 s SER 10 Cb -0.22 -2.61 0.86 0.00 0.10 0.00 0.00 66.02 64.15 3hx7 s SER 10 CO -0.06 -1.85 1.65 0.35 0.98 0.00 0.00 173.24 174.31 3hx7 n THR 11 N -1.83 0.65 0.50 2.02 -2.24 -1.26 -2.03 114.28 110.09 3hx7 n THR 11 Ca 0.15 0.14 -0.20 0.00 -2.27 0.00 0.00 64.05 61.87 3hx7 n THR 11 Cb 0.49 -0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 67.79 3hx7 n THR 11 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hx7 h ASP 12 N 0.00 -1.07 -0.40 3.42 5.19 -1.99 -0.27 116.42 121.30 3hx7 h ASP 12 Ca 0.00 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3hx7 h ASP 12 Cb 0.36 0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 3hx7 h ASP 12 CO 0.00 -0.75 0.24 0.58 -3.12 0.00 0.00 179.24 176.19 3hx7 h VAL 13 N -1.30 1.13 -0.44 -1.35 2.07 -1.90 0.88 116.25 115.34 3hx7 h VAL 13 Ca -0.13 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.16 3hx7 h VAL 13 Cb 0.97 0.62 -0.10 0.00 -1.52 0.00 0.00 31.29 31.27 3hx7 h VAL 13 CO 0.21 0.14 -0.36 -0.08 0.02 0.00 0.00 177.57 177.50 3hx7 h GLU 14 N 0.53 -0.25 0.00 1.57 4.81 -1.30 0.46 114.58 120.40 3hx7 h GLU 14 Ca 0.14 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3hx7 h GLU 14 Cb 0.01 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3hx7 h GLU 14 CO -0.03 -0.16 -0.35 0.00 -0.73 0.00 0.00 179.01 177.74 3hx7 h ALA 15 N 0.71 1.41 -0.23 2.92 0.00 -0.71 -2.01 119.26 121.36 3hx7 h ALA 15 Ca 0.17 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 3hx7 h ALA 15 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hx7 h ALA 15 CO -0.58 0.44 -0.36 0.00 0.00 0.00 0.00 179.25 178.76 3hx7 h ALA 16 N 1.65 0.94 0.24 0.00 0.00 0.19 -2.00 119.26 120.27 3hx7 h ALA 16 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3hx7 h ALA 16 Cb 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hx7 h ALA 16 CO 0.05 0.62 -0.11 0.28 0.00 0.00 0.00 179.25 180.08 3hx7 h VAL 17 N 0.43 0.77 -1.02 0.00 2.07 0.33 -1.11 116.25 117.72 3hx7 h VAL 17 Ca 0.05 -0.83 0.25 0.00 0.82 0.00 0.00 66.70 66.98 3hx7 h VAL 17 Cb 0.83 1.19 -0.10 0.00 -1.52 0.00 0.00 31.29 31.69 3hx7 h VAL 17 CO 0.07 0.16 0.64 0.78 0.02 0.00 0.00 177.57 179.24 3hx7 h ASN 18 N -0.79 0.52 0.11 0.57 2.35 -1.37 0.31 115.58 117.29 3hx7 h ASN 18 Ca -0.03 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3hx7 h ASN 18 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3hx7 h ASN 18 CO 0.05 0.12 -0.05 -1.28 -1.65 0.00 0.00 177.43 174.62 3hx7 h SER 19 N 0.47 -0.13 -0.96 5.81 0.87 -1.24 -2.48 113.55 115.90 3hx7 h SER 19 Ca 0.59 -0.20 0.07 0.00 -1.23 0.00 0.00 61.79 61.01 3hx7 h SER 19 Cb 1.34 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 63.27 3hx7 h SER 19 CO -0.32 0.13 0.61 0.25 -0.53 0.00 0.00 176.83 176.97 3hx7 h LEU 20 N -0.40 0.96 -0.50 2.23 5.85 0.58 -0.90 115.31 123.14 3hx7 h LEU 20 Ca -0.02 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3hx7 h LEU 20 Cb 0.32 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3hx7 h LEU 20 CO 0.03 0.61 0.23 0.58 -0.34 0.00 0.00 178.44 179.54 3hx7 h VAL 21 N 1.09 0.92 -0.35 1.05 2.07 -0.36 0.22 116.25 120.90 3hx7 h VAL 21 Ca 0.42 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.70 3hx7 h VAL 21 Cb 0.20 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3hx7 h VAL 21 CO -0.18 0.08 -0.12 -1.13 0.02 0.00 0.00 177.57 176.24 3hx7 h ASN 22 N 0.45 0.60 -0.53 0.57 -0.73 -0.83 0.11 115.58 115.21 3hx7 h ASN 22 Ca 0.22 -0.17 -0.09 0.00 1.87 0.00 0.00 56.30 58.14 3hx7 h ASN 22 Cb 0.17 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 3hx7 h ASN 22 CO -0.18 0.75 0.00 0.25 -0.37 0.00 0.00 177.43 177.89 3hx7 h LEU 23 N 0.56 0.94 -0.19 0.34 5.85 -0.12 -1.23 115.31 121.47 3hx7 h LEU 23 Ca 0.10 -0.25 -0.22 0.00 0.84 0.00 0.00 57.88 58.35 3hx7 h LEU 23 Cb 0.54 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.33 3hx7 h LEU 23 CO 0.03 1.00 -0.76 1.88 -0.34 0.00 0.00 178.44 180.25 3hx7 h TYR 24 N 0.89 1.03 -0.44 1.25 -1.99 -0.21 -1.93 116.97 115.58 3hx7 h TYR 24 Ca 0.16 -0.45 0.01 0.00 2.00 0.00 0.00 58.73 60.45 3hx7 h TYR 24 Cb 0.52 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 39.07 3hx7 h TYR 24 CO 0.03 1.28 0.29 -0.07 -0.00 0.00 0.00 178.16 179.70 3hx7 h LEU 25 N 0.53 0.48 0.66 3.88 3.38 -0.64 -0.85 115.31 122.74 3hx7 h LEU 25 Ca -0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3hx7 h LEU 25 Cb 1.39 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 42.03 3hx7 h LEU 25 CO 0.16 0.34 -0.32 -0.61 0.09 0.00 0.00 178.44 178.10 3hx7 h GLN 26 N 0.56 -0.85 -0.67 1.13 5.75 -0.92 -2.38 115.11 117.74 3hx7 h GLN 26 Ca 0.17 0.06 0.13 0.00 -0.15 0.00 0.00 58.65 58.86 3hx7 h GLN 26 Cb -0.01 0.19 -0.10 0.00 1.07 0.00 0.00 27.48 28.63 3hx7 h GLN 26 CO -0.04 -0.53 0.15 0.00 -2.65 0.00 0.00 178.83 175.77 3hx7 h ALA 27 N -0.83 0.82 -0.38 3.38 0.00 -0.86 0.61 119.26 122.01 3hx7 h ALA 27 Ca -0.09 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3hx7 h ALA 27 Cb 0.71 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 3hx7 h ALA 27 CO 0.15 -0.31 -0.10 1.03 0.00 0.00 0.00 179.25 180.01 3hx7 h SER 28 N 0.27 -0.38 -0.61 0.00 0.87 -1.10 -0.10 113.55 112.50 3hx7 h SER 28 Ca 0.36 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 61.01 3hx7 h SER 28 Cb 0.57 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 3hx7 h SER 28 CO -0.45 -0.13 0.30 0.22 -0.53 0.00 0.00 176.83 176.23 3hx7 h TYR 29 N -0.01 0.90 0.13 2.24 3.20 -0.41 0.19 116.97 123.20 3hx7 h TYR 29 Ca 0.18 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 3hx7 h TYR 29 Cb 0.29 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3hx7 h TYR 29 CO -0.35 0.66 -0.06 1.15 -1.64 0.00 0.00 178.16 177.93 3hx7 h THR 30 N 0.90 0.95 -0.96 1.81 2.02 0.15 -1.94 112.91 115.85 3hx7 h THR 30 Ca 0.22 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3hx7 h THR 30 Cb 0.11 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 3hx7 h THR 30 CO -0.03 0.08 0.60 1.88 0.37 0.00 0.00 175.52 178.42 3hx7 h TYR 31 N -0.32 1.23 -0.94 3.16 0.05 -0.69 0.21 116.97 119.67 3hx7 h TYR 31 Ca -0.02 0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.84 3hx7 h TYR 31 Cb 0.26 -0.41 -0.06 0.00 1.01 0.00 0.00 36.73 37.53 3hx7 h TYR 31 CO -0.02 0.80 0.61 1.25 -1.05 0.00 0.00 178.16 179.74 3hx7 h LEU 32 N 1.31 0.95 -0.11 3.88 5.85 -0.44 0.65 115.31 127.40 3hx7 h LEU 32 Ca 0.35 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 3hx7 h LEU 32 Cb -0.10 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.73 3hx7 h LEU 32 CO -0.07 0.61 -0.24 -1.28 -0.34 0.00 0.00 178.44 177.12 3hx7 h SER 33 N 1.08 0.41 -0.97 1.25 0.87 -0.33 -2.70 113.55 113.16 3hx7 h SER 33 Ca 0.40 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 3hx7 h SER 33 Cb 0.18 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 61.98 3hx7 h SER 33 CO -0.15 0.90 0.61 -0.07 -0.53 0.00 0.00 176.83 177.58 3hx7 h LEU 34 N -0.06 1.14 0.76 2.23 3.38 0.06 -1.65 115.31 121.17 3hx7 h LEU 34 Ca 0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3hx7 h LEU 34 Cb 0.84 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hx7 h LEU 34 CO 0.05 0.86 -0.42 1.23 0.09 0.00 0.00 178.44 180.25 3hx7 h GLY 35 N 1.33 -1.21 2.00 0.83 0.00 0.31 -2.80 103.07 103.52 3hx7 h GLY 35 Ca 0.35 0.48 0.00 0.00 0.00 0.00 0.00 47.33 48.16 3hx7 h GLY 35 CO -0.07 -0.42 0.00 0.74 0.00 0.00 0.00 176.54 176.79 3hx7 h PHE 36 N -1.10 0.00 -0.28 5.60 -1.00 -1.43 -2.58 116.94 116.15 3hx7 h PHE 36 Ca -0.10 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.62 3hx7 h PHE 36 Cb 0.86 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.41 3hx7 h PHE 36 CO -0.03 0.00 -0.04 -0.92 -1.61 0.00 0.00 178.31 175.70 3hx7 h TYR 37 N 0.00 0.59 0.00 -0.55 3.20 -1.03 -2.53 116.97 116.64 3hx7 h TYR 37 Ca 0.00 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.75 3hx7 h TYR 37 Cb 0.21 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.33 3hx7 h TYR 37 CO 0.00 0.71 0.00 1.19 -1.64 0.00 0.00 178.16 178.42 3hx7 n PHE 38 N -4.53 0.00 1.40 -3.82 3.72 -0.98 -2.17 117.46 111.08 3hx7 n PHE 38 Ca -0.03 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.51 3hx7 n PHE 38 Cb 0.29 -0.28 0.51 0.00 -0.94 0.00 0.00 39.48 39.06 3hx7 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx7 n ASP 39 N -1.28 0.99 -4.76 4.37 4.64 -0.96 -1.36 116.55 118.18 3hx7 n ASP 39 Ca 0.11 -1.01 -0.40 0.00 -1.38 0.00 0.00 54.79 52.11 3hx7 n ASP 39 Cb 0.19 0.04 -0.03 0.00 -1.04 0.00 0.00 41.12 40.28 3hx7 n ASP 39 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3hx7 s ARG 40 N -2.31 4.49 0.63 -0.67 0.52 -0.92 -4.75 118.95 115.94 3hx7 s ARG 40 Ca 0.31 1.94 0.40 0.00 -0.52 0.00 0.00 55.73 57.85 3hx7 s ARG 40 Cb 0.20 -3.10 2.13 0.00 0.52 0.00 0.00 34.95 34.71 3hx7 s ARG 40 CO 0.44 0.03 2.29 0.38 0.02 0.00 0.00 175.30 178.47 3hx7 h ASP 41 N 3.56 0.00 0.09 0.23 2.03 -1.90 1.63 116.42 122.05 3hx7 h ASP 41 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 3hx7 h ASP 41 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3hx7 h ASP 41 CO 0.66 0.01 -0.13 -0.90 -1.03 0.00 0.00 179.24 177.85 3hx7 n ASP 42 N -3.25 1.43 -0.02 4.15 3.85 -1.26 -4.26 116.55 117.19 3hx7 n ASP 42 Ca -0.02 -1.29 -0.04 0.00 -0.71 0.00 0.00 54.79 52.73 3hx7 n ASP 42 Cb 0.11 0.08 -0.01 0.00 -1.35 0.00 0.00 41.12 39.95 3hx7 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx7 n VAL 43 N -0.09 0.22 -3.60 2.12 0.31 0.14 -5.08 118.33 112.35 3hx7 n VAL 43 Ca 0.15 -0.06 -0.23 0.00 -0.01 0.00 0.00 64.34 64.20 3hx7 n VAL 43 Cb 0.37 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 3hx7 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx7 n ALA 44 N -3.17 -2.28 -3.47 3.52 0.00 0.53 -4.94 120.51 110.70 3hx7 n ALA 44 Ca -0.08 -0.27 -0.26 0.00 0.00 0.00 0.00 53.44 52.83 3hx7 n ALA 44 Cb 0.56 -0.85 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 3hx7 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hx7 n LEU 45 N -2.57 2.00 -0.37 0.00 4.77 -0.46 -4.96 117.00 115.40 3hx7 n LEU 45 Ca -0.20 -5.03 0.29 0.00 -0.03 0.00 0.00 56.01 51.05 3hx7 n LEU 45 Cb 0.48 -0.16 0.57 0.00 -2.33 0.00 0.00 43.42 41.98 3hx7 n LEU 45 CO 0.49 1.96 1.22 -0.08 -1.33 0.00 0.00 177.39 179.64 3hx7 h GLU 46 N 4.65 0.24 -0.07 3.23 4.81 -1.92 -0.53 114.58 124.99 3hx7 h GLU 46 Ca 0.17 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3hx7 h GLU 46 Cb 0.78 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 3hx7 h GLU 46 CO 0.64 0.16 0.03 0.78 -0.73 0.00 0.00 179.01 179.89 3hx7 h GLY 47 N 0.25 0.11 0.97 1.92 0.00 -1.94 -2.26 103.07 102.12 3hx7 h GLY 47 Ca 0.70 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.88 3hx7 h GLY 47 CO -0.37 0.06 -0.13 -2.08 0.00 0.00 0.00 176.54 174.01 3hx7 h VAL 48 N -0.05 1.28 -0.69 4.60 2.07 -1.55 -2.33 116.25 119.58 3hx7 h VAL 48 Ca 0.02 -1.24 0.09 0.00 0.82 0.00 0.00 66.70 66.40 3hx7 h VAL 48 Cb 0.17 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 3hx7 h VAL 48 CO -0.00 0.41 0.34 -1.28 0.02 0.00 0.00 177.57 177.06 3hx7 h SER 49 N 0.53 0.45 -0.63 0.57 0.87 -1.15 -0.98 113.55 113.20 3hx7 h SER 49 Ca 0.09 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 3hx7 h SER 49 Cb 0.66 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 3hx7 h SER 49 CO 0.05 0.26 0.04 -0.74 -0.53 0.00 0.00 176.83 175.90 3hx7 h HIS 50 N 0.59 1.17 -0.37 2.24 6.17 -1.30 -1.93 115.15 121.72 3hx7 h HIS 50 Ca 0.34 -0.19 0.06 0.00 0.71 0.00 0.00 60.37 61.29 3hx7 h HIS 50 Cb 0.34 -0.31 -0.06 0.00 2.52 0.00 0.00 27.41 29.90 3hx7 h HIS 50 CO -0.11 1.01 0.03 0.35 0.71 0.00 0.00 177.93 179.92 3hx7 h PHE 51 N 0.99 0.03 -0.08 5.26 3.57 -0.63 -1.05 116.94 125.03 3hx7 h PHE 51 Ca 0.18 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.51 3hx7 h PHE 51 Cb 0.52 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 3hx7 h PHE 51 CO 0.04 -0.04 -0.76 0.74 -2.23 0.00 0.00 178.31 176.06 3hx7 h PHE 52 N 0.13 0.64 -0.16 0.41 0.05 -1.32 -2.49 116.94 114.20 3hx7 h PHE 52 Ca 0.18 -0.29 -0.02 0.00 3.82 0.00 0.00 57.97 61.66 3hx7 h PHE 52 Cb 0.23 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 38.08 3hx7 h PHE 52 CO -0.23 1.07 0.00 0.00 -0.18 0.00 0.00 178.31 178.97 3hx7 h ARG 53 N 0.32 0.23 0.06 1.51 3.08 -1.01 0.48 114.38 119.04 3hx7 h ARG 53 Ca -0.04 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3hx7 h ARG 53 Cb 1.35 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3hx7 h ARG 53 CO 0.14 0.25 -0.03 0.93 -1.07 0.00 0.00 179.97 180.19 3hx7 h GLU 54 N 0.23 -0.07 -0.99 0.04 5.08 -1.09 -2.48 114.58 115.29 3hx7 h GLU 54 Ca 0.05 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.51 3hx7 h GLU 54 Cb 0.16 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 3hx7 h GLU 54 CO 0.00 0.36 0.63 -0.07 -1.00 0.00 0.00 179.01 178.93 3hx7 h LEU 55 N -0.52 0.98 -1.53 1.33 3.38 -0.84 0.14 115.31 118.23 3hx7 h LEU 55 Ca -0.01 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3hx7 h LEU 55 Cb 0.46 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3hx7 h LEU 55 CO 0.01 0.58 0.34 0.00 0.09 0.00 0.00 178.44 179.47 3hx7 h ALA 56 N 1.48 1.71 0.03 1.53 0.00 0.01 -1.35 119.26 122.67 3hx7 h ALA 56 Ca 0.45 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 55.11 3hx7 h ALA 56 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hx7 h ALA 56 CO -0.21 0.24 -1.07 1.49 0.00 0.00 0.00 179.25 179.70 3hx7 h GLU 57 N 0.62 0.07 -0.47 0.00 4.57 -0.37 -2.96 114.58 116.04 3hx7 h GLU 57 Ca 0.20 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3hx7 h GLU 57 Cb 0.04 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 3hx7 h GLU 57 CO -0.05 1.05 0.09 0.93 -1.18 0.00 0.00 179.01 179.84 3hx7 h GLU 58 N 0.02 0.76 -0.37 1.92 5.08 0.15 -2.52 114.58 119.63 3hx7 h GLU 58 Ca -0.04 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 3hx7 h GLU 58 Cb 1.82 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 3hx7 h GLU 58 CO 0.15 0.77 -0.10 0.87 -1.00 0.00 0.00 179.01 179.70 3hx7 h LYS 59 N 0.63 0.63 -0.59 2.33 1.79 -1.35 -1.11 116.57 118.91 3hx7 h LYS 59 Ca 0.14 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 3hx7 h LYS 59 Cb 0.37 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 3hx7 h LYS 59 CO 0.01 0.72 0.32 -0.09 -1.08 0.00 0.00 179.45 179.33 3hx7 h ARG 60 N 0.58 0.81 -0.19 3.15 2.43 -1.33 -0.46 114.38 119.38 3hx7 h ARG 60 Ca 0.11 -0.09 -0.19 0.00 -0.81 0.00 0.00 59.98 59.00 3hx7 h ARG 60 Cb 0.52 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3hx7 h ARG 60 CO 0.03 0.60 -0.65 0.93 -1.51 0.00 0.00 179.97 179.37 3hx7 h GLU 61 N 0.82 0.71 -0.24 0.20 5.08 -0.98 -2.45 114.58 117.73 3hx7 h GLU 61 Ca 0.21 -0.51 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3hx7 h GLU 61 Cb 0.03 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3hx7 h GLU 61 CO -0.03 1.13 0.15 0.78 -1.00 0.00 0.00 179.01 180.04 3hx7 h GLY 62 N 0.82 0.33 2.00 -3.84 0.00 0.05 0.91 103.07 103.34 3hx7 h GLY 62 Ca -0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 3hx7 h GLY 62 CO 0.13 0.11 -0.44 0.10 0.00 0.00 0.00 176.54 176.43 3hx7 h TYR 63 N 0.30 0.00 -0.11 5.60 -0.00 -1.15 -2.19 116.97 119.42 3hx7 h TYR 63 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.64 3hx7 h TYR 63 Cb -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.71 3hx7 h TYR 63 CO -0.07 0.44 -0.68 0.93 -0.00 0.00 0.00 178.16 178.78 3hx7 h GLU 64 N 0.00 0.48 -0.47 0.10 5.08 -1.02 -0.37 114.58 118.37 3hx7 h GLU 64 Ca -0.00 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 57.92 3hx7 h GLU 64 Cb 0.93 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3hx7 h GLU 64 CO 0.06 0.98 0.01 -0.09 -1.00 0.00 0.00 179.01 178.97 3hx7 h ARG 65 N 0.34 0.83 -0.07 2.33 2.43 -0.60 -0.73 114.38 118.90 3hx7 h ARG 65 Ca -0.02 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 3hx7 h ARG 65 Cb 1.24 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3hx7 h ARG 65 CO 0.12 0.88 0.02 -0.07 -1.51 0.00 0.00 179.97 179.40 3hx7 h LEU 66 N 0.68 0.11 -1.85 3.80 3.38 -1.22 -0.96 115.31 119.24 3hx7 h LEU 66 Ca 0.13 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.94 3hx7 h LEU 66 Cb 0.50 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3hx7 h LEU 66 CO 0.02 0.31 0.24 -0.07 0.09 0.00 0.00 178.44 179.04 3hx7 h LEU 67 N -0.10 0.16 0.01 1.67 3.38 -0.97 0.17 115.31 119.63 3hx7 h LEU 67 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hx7 h LEU 67 Cb 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hx7 h LEU 67 CO 0.00 0.10 -0.01 0.50 0.09 0.00 0.00 178.44 179.13 3hx7 h LYS 68 N 0.18 -0.02 0.00 1.13 1.63 -0.70 -2.98 116.57 115.81 3hx7 h LYS 68 Ca 0.16 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.91 3hx7 h LYS 68 Cb 0.40 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 3hx7 h LYS 68 CO -0.03 0.44 -0.25 1.98 -3.45 0.00 0.00 179.45 178.14 3hx7 h MET 69 N -0.48 0.00 0.64 1.90 4.05 -0.38 -1.93 114.93 118.72 3hx7 h MET 69 Ca -0.00 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 3hx7 h MET 69 Cb 0.46 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.27 3hx7 h MET 69 CO 0.00 0.25 -0.31 0.37 0.23 0.00 0.00 176.91 177.46 3hx7 h GLN 70 N 0.00 -0.82 -0.42 0.39 5.75 -0.66 -1.59 115.11 117.75 3hx7 h GLN 70 Ca -0.00 0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.59 3hx7 h GLN 70 Cb 0.48 0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 3hx7 h GLN 70 CO 0.03 -0.53 0.28 -0.91 -2.65 0.00 0.00 178.83 175.05 3hx7 h ASN 71 N -0.92 0.37 -0.25 -0.69 4.21 -1.35 -1.42 115.58 115.54 3hx7 h ASN 71 Ca -0.09 -0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.42 3hx7 h ASN 71 Cb 0.68 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.78 3hx7 h ASN 71 CO 0.14 0.26 0.15 1.56 -1.29 0.00 0.00 177.43 178.25 3hx7 h GLN 72 N 0.43 0.34 0.00 0.81 1.08 -1.06 -3.03 115.11 113.67 3hx7 h GLN 72 Ca 0.17 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.25 3hx7 h GLN 72 Cb 0.15 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 3hx7 h GLN 72 CO -0.04 0.26 -0.45 0.00 -0.95 0.00 0.00 178.83 177.65 3hx7 h ARG 73 N 0.31 0.00 0.00 1.46 2.47 -0.28 -3.48 114.38 114.87 3hx7 h ARG 73 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 3hx7 h ARG 73 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3hx7 h ARG 73 CO -0.02 0.45 0.00 0.41 0.56 0.00 0.00 179.97 181.37 3hx7 n GLY 74 N 0.01 1.08 3.46 0.04 0.00 -0.74 -3.93 105.19 105.11 3hx7 n GLY 74 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3hx7 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx7 n GLY 75 N 0.00 -1.67 3.39 -0.02 0.00 -1.08 -4.71 105.19 101.10 3hx7 n GLY 75 Ca 0.00 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 3hx7 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx7 s ARG 76 N -3.96 2.27 0.16 1.61 1.81 -1.26 -4.11 118.95 115.46 3hx7 s ARG 76 Ca 0.61 -0.84 -0.27 0.00 -1.72 0.00 0.00 55.73 53.51 3hx7 s ARG 76 Cb -0.21 -2.19 -0.08 0.00 -0.45 0.00 0.00 34.95 32.03 3hx7 s ARG 76 CO 0.64 0.59 0.85 0.00 -0.68 0.00 0.00 175.30 176.70 3hx7 s ALA 77 N -0.68 3.38 -0.12 2.13 0.00 -1.26 -4.96 121.76 120.24 3hx7 s ALA 77 Ca 0.11 0.45 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 3hx7 s ALA 77 Cb -0.10 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 19.98 3hx7 s ALA 77 CO 0.00 0.19 0.02 -0.51 0.00 0.00 0.00 175.76 175.45 3hx7 s LEU 78 N -0.82 0.82 0.06 0.00 1.43 -1.26 -5.14 118.68 113.77 3hx7 s LEU 78 Ca 0.39 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 53.02 3hx7 s LEU 78 Cb -0.24 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.43 3hx7 s LEU 78 CO 0.28 -0.24 0.34 -0.36 0.23 0.00 0.00 176.35 176.60 3hx7 s PHE 79 N 1.93 3.56 0.29 0.29 0.08 -1.26 -4.86 117.98 118.01 3hx7 s PHE 79 Ca 0.03 0.65 0.09 0.00 0.12 0.00 0.00 56.93 57.81 3hx7 s PHE 79 Cb -0.14 -2.05 -0.06 0.00 -0.57 0.00 0.00 43.02 40.20 3hx7 s PHE 79 CO -0.07 0.54 -0.12 -0.65 -0.10 0.00 0.00 175.22 174.83 3hx7 s GLN 80 N -2.00 1.66 0.56 0.44 -1.52 -1.26 -5.11 119.66 112.43 3hx7 s GLN 80 Ca 0.32 -1.81 -0.19 0.00 -1.95 0.00 0.00 55.36 51.73 3hx7 s GLN 80 Cb -0.13 -1.52 -0.07 0.00 -0.22 0.00 0.00 33.01 31.06 3hx7 s GLN 80 CO 0.19 0.17 0.75 -0.25 -0.25 0.00 0.00 175.29 175.91 3hx7 n ASP 81 N -0.65 -0.06 -4.53 5.90 10.43 -1.26 -4.94 116.55 121.44 3hx7 n ASP 81 Ca -0.05 0.80 -0.41 0.00 2.57 0.00 0.00 54.79 57.70 3hx7 n ASP 81 Cb 0.62 -1.28 -0.10 0.00 1.84 0.00 0.00 41.12 42.20 3hx7 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx7 s ILE 82 N -1.58 5.25 0.22 0.53 1.01 -1.26 -5.05 121.20 120.32 3hx7 s ILE 82 Ca 0.71 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.92 3hx7 s ILE 82 Cb -0.45 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.17 3hx7 s ILE 82 CO 0.52 -0.04 1.34 -0.75 0.00 0.00 0.00 174.94 176.00 3hx7 s LYS 83 N 1.82 4.36 0.89 2.79 2.20 -1.26 -5.00 119.74 125.54 3hx7 s LYS 83 Ca 0.08 2.13 -0.11 0.00 -0.36 0.00 0.00 55.97 57.71 3hx7 s LYS 83 Cb -0.17 -3.16 0.13 0.00 -1.51 0.00 0.00 37.83 33.11 3hx7 s LYS 83 CO 0.11 -0.28 1.12 0.36 -0.36 0.00 0.00 175.35 176.30 3hx7 n LYS 84 N 2.37 -0.29 -1.88 4.03 2.85 -1.26 -4.89 118.16 119.09 3hx7 n LYS 84 Ca 0.06 -0.01 -0.35 0.00 -1.05 0.00 0.00 58.31 56.96 3hx7 n LYS 84 Cb 0.42 -2.36 0.04 0.00 -0.65 0.00 0.00 35.03 32.48 3hx7 n LYS 84 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3hx7 s PRO 85 N -4.44 2.84 0.61 -1.58 0.02 -1.26 -4.91 135.00 126.28 3hx7 s PRO 85 Ca 0.68 1.65 0.35 0.00 0.02 0.00 0.00 61.00 63.69 3hx7 s PRO 85 Cb -0.25 -1.93 1.88 0.00 0.02 0.00 0.00 34.50 34.22 3hx7 s PRO 85 CO 0.57 -1.27 2.05 0.00 -0.33 0.00 0.00 177.00 178.02 3hx7 h ALA 86 N 0.49 1.14 -2.46 -1.55 0.00 -1.98 -3.44 119.26 111.46 3hx7 h ALA 86 Ca -0.49 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 3hx7 h ALA 86 Cb 1.28 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.92 3hx7 h ALA 86 CO 0.54 -0.14 -0.64 -1.21 0.00 0.00 0.00 179.25 177.80 3hx7 s GLU 87 N -4.01 1.00 -0.08 0.00 0.41 -1.26 -5.03 118.70 109.73 3hx7 s GLU 87 Ca -0.04 -1.49 0.11 0.00 -0.41 0.00 0.00 54.97 53.15 3hx7 s GLU 87 Cb 0.10 0.24 -0.17 0.00 -1.78 0.00 0.00 34.13 32.52 3hx7 s GLU 87 CO 0.31 -0.29 0.14 -0.25 -0.49 0.00 0.00 175.26 174.68 3hx7 n ASP 88 N -0.14 2.10 -4.00 -0.19 8.00 -1.26 -4.96 116.55 116.11 3hx7 n ASP 88 Ca -0.04 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.28 3hx7 n ASP 88 Cb 0.64 1.12 -0.15 0.00 -0.02 0.00 0.00 41.12 42.71 3hx7 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx7 s GLU 89 N -2.53 0.74 -0.13 -1.24 2.02 -1.26 -5.00 118.70 111.30 3hx7 s GLU 89 Ca -0.05 -0.28 0.15 0.00 0.02 0.00 0.00 54.97 54.80 3hx7 s GLU 89 Cb 0.05 -0.71 0.50 0.00 0.10 0.00 0.00 34.13 34.07 3hx7 s GLU 89 CO 0.50 0.15 1.41 0.91 0.02 0.00 0.00 175.26 178.24 3hx7 n TRP 90 N 3.04 0.90 -0.81 1.61 7.02 -1.26 -5.08 117.44 122.86 3hx7 n TRP 90 Ca -0.15 -0.76 0.00 0.00 -1.02 0.00 0.00 57.50 55.57 3hx7 n TRP 90 Cb 0.56 -0.25 0.00 0.00 -2.42 0.00 0.00 31.31 29.20 3hx7 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx7 n GLY 91 N -0.10 3.36 3.97 6.99 0.00 -1.26 -3.55 105.19 114.59 3hx7 n GLY 91 Ca 0.19 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 3hx7 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx7 s LYS 92 N 0.00 2.89 0.19 1.61 1.02 -1.26 -4.92 119.74 119.28 3hx7 s LYS 92 Ca 0.00 -0.66 -0.18 0.00 0.02 0.00 0.00 55.97 55.14 3hx7 s LYS 92 Cb 0.00 -2.57 0.16 0.00 -0.52 0.00 0.00 37.83 34.90 3hx7 s LYS 92 CO 0.00 -0.38 1.60 1.15 -0.92 0.00 0.00 175.35 176.80 3hx7 h THR 93 N 0.35 0.24 -0.72 2.17 2.02 -2.00 -1.56 112.91 113.42 3hx7 h THR 93 Ca -0.45 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.76 3hx7 h THR 93 Cb 1.27 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 3hx7 h THR 93 CO 0.55 0.00 0.47 -0.65 0.37 0.00 0.00 175.52 176.26 3hx7 h PRO 94 N -0.12 0.86 0.60 6.66 0.11 -1.95 -0.48 132.00 137.67 3hx7 h PRO 94 Ca 0.25 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 3hx7 h PRO 94 Cb 0.52 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.45 3hx7 h PRO 94 CO -0.65 0.57 -0.29 -0.44 -0.21 0.00 0.00 178.00 176.98 3hx7 h ASP 95 N 0.89 -0.68 -0.83 -2.05 3.45 -1.59 -1.45 116.42 114.15 3hx7 h ASP 95 Ca 0.28 -0.02 0.15 0.00 0.43 0.00 0.00 57.03 57.87 3hx7 h ASP 95 Cb 0.03 0.18 -0.09 0.00 -0.56 0.00 0.00 39.33 38.88 3hx7 h ASP 95 CO -0.08 -0.38 0.41 0.00 -1.57 0.00 0.00 179.24 177.62 3hx7 h ALA 96 N -0.66 1.25 -0.66 3.45 0.00 -1.08 -0.02 119.26 121.54 3hx7 h ALA 96 Ca -0.08 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hx7 h ALA 96 Cb 0.66 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3hx7 h ALA 96 CO 0.13 -0.12 0.33 1.98 0.00 0.00 0.00 179.25 181.57 3hx7 h MET 97 N 0.58 0.95 -0.68 0.00 -1.53 -0.94 -0.93 114.93 112.38 3hx7 h MET 97 Ca 0.46 -0.13 -0.01 0.00 -3.44 0.00 0.00 59.70 56.57 3hx7 h MET 97 Cb 0.66 -0.17 -0.03 0.00 -0.55 0.00 0.00 31.60 31.51 3hx7 h MET 97 CO -0.37 0.75 0.39 0.87 0.14 0.00 0.00 176.91 178.68 3hx7 h LYS 98 N 0.91 0.94 -0.51 0.39 1.57 0.06 0.11 116.57 120.04 3hx7 h LYS 98 Ca 0.23 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3hx7 h LYS 98 Cb 0.10 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3hx7 h LYS 98 CO -0.03 0.69 0.22 0.00 -0.57 0.00 0.00 179.45 179.76 3hx7 h ALA 99 N 1.20 0.67 -0.56 3.86 0.00 -0.81 -0.97 119.26 122.64 3hx7 h ALA 99 Ca 0.24 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3hx7 h ALA 99 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3hx7 h ALA 99 CO -0.04 0.26 0.10 0.00 0.00 0.00 0.00 179.25 179.57 3hx7 h ALA 100 N 1.07 0.74 -0.08 0.00 0.00 -0.74 -0.35 119.26 119.89 3hx7 h ALA 100 Ca 0.17 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3hx7 h ALA 100 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hx7 h ALA 100 CO -0.02 0.48 -0.19 1.98 0.00 0.00 0.00 179.25 181.50 3hx7 h MET 101 N 0.81 0.13 -0.07 0.00 -1.53 -0.52 -1.12 114.93 112.64 3hx7 h MET 101 Ca 0.17 -0.03 -0.14 0.00 -3.44 0.00 0.00 59.70 56.26 3hx7 h MET 101 Cb 0.39 -0.02 0.01 0.00 -0.55 0.00 0.00 31.60 31.44 3hx7 h MET 101 CO 0.01 0.32 -0.51 0.00 0.14 0.00 0.00 176.91 176.87 3hx7 h ALA 102 N 1.69 0.15 -0.32 0.39 0.00 -0.73 -2.03 119.26 118.42 3hx7 h ALA 102 Ca 0.02 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3hx7 h ALA 102 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3hx7 h ALA 102 CO 0.03 0.35 0.10 1.25 0.00 0.00 0.00 179.25 180.98 3hx7 h LEU 103 N 0.02 0.41 0.23 0.00 5.85 -0.80 -0.47 115.31 120.55 3hx7 h LEU 103 Ca -0.05 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3hx7 h LEU 103 Cb 1.18 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3hx7 h LEU 103 CO 0.10 0.40 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.17 3hx7 h GLU 104 N 0.45 -0.29 -0.56 1.25 4.39 -1.18 -1.79 114.58 116.85 3hx7 h GLU 104 Ca 0.11 0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.99 3hx7 h GLU 104 Cb 0.14 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3hx7 h GLU 104 CO -0.01 0.08 0.41 0.87 -1.16 0.00 0.00 179.01 179.20 3hx7 h LYS 105 N -0.85 0.00 0.14 2.33 1.57 -1.18 0.52 116.57 119.10 3hx7 h LYS 105 Ca -0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3hx7 h LYS 105 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3hx7 h LYS 105 CO 0.05 0.00 -0.07 -0.22 -0.57 0.00 0.00 179.45 178.64 3hx7 h LYS 106 N 0.00 -0.18 -0.78 3.15 3.64 -0.98 -2.01 116.57 119.40 3hx7 h LYS 106 Ca 0.26 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 3hx7 h LYS 106 Cb 1.08 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 3hx7 h LYS 106 CO -0.00 0.14 0.35 -0.07 -2.27 0.00 0.00 179.45 177.60 3hx7 h LEU 107 N -0.52 1.05 -0.77 5.20 3.38 0.21 -1.96 115.31 121.90 3hx7 h LEU 107 Ca -0.02 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3hx7 h LEU 107 Cb 0.41 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3hx7 h LEU 107 CO 0.03 0.91 0.44 -1.13 0.09 0.00 0.00 178.44 178.78 3hx7 h ASN 108 N 1.12 0.64 0.34 -0.43 -1.24 -0.04 -0.68 115.58 115.29 3hx7 h ASN 108 Ca 0.27 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.30 3hx7 h ASN 108 Cb 0.16 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.12 3hx7 h ASN 108 CO -0.03 0.39 -0.16 -0.61 -1.29 0.00 0.00 177.43 175.73 3hx7 h GLN 109 N 0.77 -0.44 -0.98 6.67 5.75 -0.73 0.62 115.11 126.76 3hx7 h GLN 109 Ca 0.36 0.03 0.17 0.00 -0.15 0.00 0.00 58.65 59.06 3hx7 h GLN 109 Cb 0.28 0.10 -0.10 0.00 1.07 0.00 0.00 27.48 28.83 3hx7 h GLN 109 CO -0.22 -0.28 0.59 0.00 -2.65 0.00 0.00 178.83 176.27 3hx7 h ALA 110 N 0.19 1.59 0.10 3.38 0.00 -0.65 0.26 119.26 124.13 3hx7 h ALA 110 Ca -0.05 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hx7 h ALA 110 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hx7 h ALA 110 CO 0.08 -0.01 -0.05 -0.07 0.00 0.00 0.00 179.25 179.20 3hx7 h LEU 111 N 0.78 -0.12 -1.57 0.00 3.38 -0.61 -0.77 115.31 116.40 3hx7 h LEU 111 Ca 0.55 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.38 3hx7 h LEU 111 Cb 0.79 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3hx7 h LEU 111 CO -0.36 0.15 0.39 -0.07 0.09 0.00 0.00 178.44 178.64 3hx7 h LEU 112 N -0.39 0.45 -0.33 1.67 3.38 0.48 0.13 115.31 120.70 3hx7 h LEU 112 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3hx7 h LEU 112 Cb 0.32 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hx7 h LEU 112 CO 0.02 0.29 -0.35 0.44 0.09 0.00 0.00 178.44 178.93 3hx7 h ASP 113 N 0.51 0.88 0.39 -0.43 3.45 -0.24 -1.37 116.42 119.61 3hx7 h ASP 113 Ca 0.26 -0.47 -0.09 0.00 0.43 0.00 0.00 57.03 57.15 3hx7 h ASP 113 Cb 0.35 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 3hx7 h ASP 113 CO -0.07 1.18 -0.43 0.25 -1.57 0.00 0.00 179.24 178.59 3hx7 h LEU 114 N 0.60 0.06 -0.07 1.55 5.85 -0.05 -0.21 115.31 123.04 3hx7 h LEU 114 Ca 0.05 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3hx7 h LEU 114 Cb 0.93 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 3hx7 h LEU 114 CO 0.09 0.48 -0.03 -0.74 -0.34 0.00 0.00 178.44 177.89 3hx7 h HIS 115 N 0.05 0.17 -0.45 1.25 2.76 -0.51 -1.60 115.15 116.82 3hx7 h HIS 115 Ca 0.00 -0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.18 3hx7 h HIS 115 Cb 0.78 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.66 3hx7 h HIS 115 CO 0.00 0.51 0.19 0.00 -1.30 0.00 0.00 177.93 177.34 3hx7 h ALA 116 N 0.63 0.55 -0.70 5.26 0.00 -1.04 -0.43 119.26 123.54 3hx7 h ALA 116 Ca 0.02 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3hx7 h ALA 116 Cb 0.47 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 3hx7 h ALA 116 CO 0.01 -0.18 0.36 1.25 0.00 0.00 0.00 179.25 180.69 3hx7 h LEU 117 N 0.39 0.48 -0.80 0.00 5.85 -0.96 -0.56 115.31 119.71 3hx7 h LEU 117 Ca 0.20 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 3hx7 h LEU 117 Cb 0.15 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3hx7 h LEU 117 CO -0.17 0.29 0.20 1.23 -0.34 0.00 0.00 178.44 179.65 3hx7 h GLY 118 N 0.62 1.18 1.90 3.75 0.00 -0.26 -0.64 103.07 109.61 3hx7 h GLY 118 Ca 0.33 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 3hx7 h GLY 118 CO -0.24 0.66 -0.29 1.76 0.00 0.00 0.00 176.54 178.42 3hx7 h SER 119 N 1.05 0.12 -0.19 0.19 0.02 -0.27 0.13 113.55 114.60 3hx7 h SER 119 Ca 0.23 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.03 3hx7 h SER 119 Cb 0.32 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 3hx7 h SER 119 CO -0.00 0.41 -0.31 0.00 -1.14 0.00 0.00 176.83 175.79 3hx7 h ALA 120 N 1.60 0.30 -0.08 3.77 0.00 -0.43 -3.00 119.26 121.41 3hx7 h ALA 120 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hx7 h ALA 120 Cb 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hx7 h ALA 120 CO 0.04 0.32 0.00 0.54 0.00 0.00 0.00 179.25 180.15 3hx7 n ARG 121 N -4.34 1.35 -3.65 0.00 5.12 -0.31 -4.94 116.66 109.90 3hx7 n ARG 121 Ca -0.06 -0.53 -0.29 0.00 -1.93 0.00 0.00 57.85 55.05 3hx7 n ARG 121 Cb 0.48 -1.33 0.04 0.00 -1.16 0.00 0.00 32.46 30.48 3hx7 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx7 n THR 122 N -0.25 -5.96 -3.87 0.55 -2.24 -0.13 -4.96 114.28 97.42 3hx7 n THR 122 Ca 0.15 -0.83 -0.29 0.00 -2.27 0.00 0.00 64.05 60.80 3hx7 n THR 122 Cb 0.19 -4.41 -0.11 0.00 -2.10 0.00 0.00 70.33 63.89 3hx7 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx7 s ASP 123 N -3.39 4.99 0.57 3.42 2.15 -0.23 -4.95 116.67 119.23 3hx7 s ASP 123 Ca 0.40 -3.85 0.25 0.00 0.43 0.00 0.00 52.55 49.79 3hx7 s ASP 123 Cb -0.14 -1.67 1.63 0.00 -0.30 0.00 0.00 42.92 42.43 3hx7 s ASP 123 CO 0.86 -0.10 2.21 1.55 -0.17 0.00 0.00 175.17 179.52 3hx7 h PRO 124 N 5.47 0.00 0.65 4.34 0.13 -1.93 -2.34 132.00 138.32 3hx7 h PRO 124 Ca 0.15 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 3hx7 h PRO 124 Cb 0.76 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.90 3hx7 h PRO 124 CO 0.74 0.00 -0.31 1.25 -0.23 0.00 0.00 178.00 179.45 3hx7 h HIS 125 N 0.00 -0.81 -0.94 1.56 2.76 -1.97 -0.99 115.15 114.76 3hx7 h HIS 125 Ca 0.01 -0.02 0.22 0.00 -2.20 0.00 0.00 60.37 58.38 3hx7 h HIS 125 Cb 0.05 0.27 -0.07 0.00 1.55 0.00 0.00 27.41 29.20 3hx7 h HIS 125 CO 0.00 -0.50 0.62 1.25 -1.30 0.00 0.00 177.93 178.00 3hx7 h LEU 126 N -1.09 0.42 -0.36 0.26 5.85 -1.91 0.32 115.31 118.79 3hx7 h LEU 126 Ca -0.09 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 3hx7 h LEU 126 Cb 0.67 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3hx7 h LEU 126 CO 0.15 0.15 -0.11 0.00 -0.34 0.00 0.00 178.44 178.29 3hx7 h ASP 128 N 0.51 0.39 -0.85 0.00 3.58 0.42 -2.17 116.42 118.30 3hx7 h ASP 128 Ca 0.09 -0.32 0.17 0.00 0.42 0.00 0.00 57.03 57.40 3hx7 h ASP 128 Cb 0.63 -0.11 -0.10 0.00 1.72 0.00 0.00 39.33 41.47 3hx7 h ASP 128 CO 0.04 0.61 0.40 0.15 -2.88 0.00 0.00 179.24 177.57 3hx7 h PHE 129 N 0.16 0.69 0.03 0.28 3.04 -0.41 -0.70 116.94 120.04 3hx7 h PHE 129 Ca 0.06 0.04 -0.25 0.00 3.98 0.00 0.00 57.97 61.80 3hx7 h PHE 129 Cb 0.42 -0.18 0.02 0.00 2.56 0.00 0.00 35.95 38.77 3hx7 h PHE 129 CO 0.04 0.09 -1.01 -0.07 -2.02 0.00 0.00 178.31 175.33 3hx7 h LEU 130 N 0.52 0.84 -1.03 0.59 3.38 -1.37 -2.21 115.31 116.03 3hx7 h LEU 130 Ca 0.49 -0.76 0.06 0.00 0.09 0.00 0.00 57.88 57.76 3hx7 h LEU 130 Cb 0.79 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 3hx7 h LEU 130 CO -0.43 1.50 0.64 -0.33 0.09 0.00 0.00 178.44 179.92 3hx7 h GLU 131 N 0.28 1.15 0.05 1.13 5.08 -0.69 0.30 114.58 121.89 3hx7 h GLU 131 Ca -0.13 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3hx7 h GLU 131 Cb 1.68 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.67 3hx7 h GLU 131 CO 0.20 0.76 -0.03 1.15 -1.00 0.00 0.00 179.01 180.09 3hx7 h THR 132 N 1.18 0.70 0.00 1.13 2.02 -1.23 -3.36 112.91 113.34 3hx7 h THR 132 Ca 0.42 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 66.19 3hx7 h THR 132 Cb 0.12 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3hx7 h THR 132 CO -0.15 0.22 -0.94 1.41 0.37 0.00 0.00 175.52 176.43 3hx7 n HIS 133 N -4.78 0.36 0.00 3.16 8.25 -0.83 -4.78 115.22 116.59 3hx7 n HIS 133 Ca -0.05 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3hx7 n HIS 133 Cb 0.21 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 30.81 3hx7 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx7 n PHE 134 N -2.03 0.00 0.15 4.41 3.72 0.80 -4.69 117.46 119.83 3hx7 n PHE 134 Ca 0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.28 3hx7 n PHE 134 Cb 0.44 0.07 -0.07 0.00 -0.94 0.00 0.00 39.48 38.98 3hx7 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx7 h LEU 135 N 0.00 -1.06 -0.75 4.37 3.38 -0.97 -2.21 115.31 118.08 3hx7 h LEU 135 Ca 0.00 0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3hx7 h LEU 135 Cb 0.74 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3hx7 h LEU 135 CO 0.00 -0.47 -0.58 -0.78 0.09 0.00 0.00 178.44 176.69 3hx7 h ASP 136 N -0.66 0.16 -0.81 -0.43 -0.00 -1.82 -2.74 116.42 110.12 3hx7 h ASP 136 Ca 0.01 -0.09 0.02 0.00 -0.00 0.00 0.00 57.03 56.98 3hx7 h ASP 136 Cb 0.65 -0.05 -0.04 0.00 -0.00 0.00 0.00 39.33 39.89 3hx7 h ASP 136 CO -0.17 0.70 0.53 -0.33 -0.00 0.00 0.00 179.24 179.98 3hx7 h GLU 137 N 0.11 1.00 0.17 0.28 4.39 -1.80 -2.51 114.58 116.22 3hx7 h GLU 137 Ca -0.00 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3hx7 h GLU 137 Cb 1.06 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 3hx7 h GLU 137 CO 0.08 0.66 -0.08 0.93 -1.16 0.00 0.00 179.01 179.45 3hx7 h GLU 138 N 1.03 -0.21 -0.50 2.33 4.39 -1.22 -2.55 114.58 117.85 3hx7 h GLU 138 Ca 0.31 0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.12 3hx7 h GLU 138 Cb -0.02 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 28.57 3hx7 h GLU 138 CO -0.08 0.20 -0.34 0.28 -1.16 0.00 0.00 179.01 177.90 3hx7 h VAL 139 N -0.74 0.18 -0.61 3.13 2.07 -1.35 0.12 116.25 119.05 3hx7 h VAL 139 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.57 3hx7 h VAL 139 Cb 0.51 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 3hx7 h VAL 139 CO 0.04 0.00 0.29 0.11 0.02 0.00 0.00 177.57 178.03 3hx7 h LYS 140 N -0.21 0.52 -0.47 1.57 1.57 -1.51 0.21 116.57 118.25 3hx7 h LYS 140 Ca 0.20 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 3hx7 h LYS 140 Cb 0.55 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3hx7 h LYS 140 CO -0.62 0.35 -0.08 1.25 -0.57 0.00 0.00 179.45 179.77 3hx7 h LEU 141 N 0.54 0.82 -0.09 2.94 5.85 -0.88 -0.10 115.31 124.39 3hx7 h LEU 141 Ca 0.29 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3hx7 h LEU 141 Cb 0.25 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 3hx7 h LEU 141 CO -0.22 0.93 0.00 0.40 -0.34 0.00 0.00 178.44 179.21 3hx7 h ILE 142 N 0.75 1.24 0.00 4.05 2.04 0.34 0.14 117.51 126.08 3hx7 h ILE 142 Ca 0.13 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3hx7 h ILE 142 Cb 0.58 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3hx7 h ILE 142 CO 0.04 0.22 -0.06 0.50 0.00 0.00 0.00 178.15 178.84 3hx7 h LYS 143 N -0.12 0.00 0.11 2.37 1.63 -0.51 0.46 116.57 120.51 3hx7 h LYS 143 Ca 0.03 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 3hx7 h LYS 143 Cb 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 3hx7 h LYS 143 CO 0.00 0.06 -0.05 -0.22 -3.45 0.00 0.00 179.45 175.79 3hx7 h LYS 144 N 0.00 -0.14 -0.24 1.90 3.64 -0.46 -2.55 116.57 118.71 3hx7 h LYS 144 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3hx7 h LYS 144 Cb 0.13 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3hx7 h LYS 144 CO 0.01 0.30 0.16 0.52 -2.27 0.00 0.00 179.45 178.17 3hx7 h MET 145 N -0.67 0.32 -0.55 1.90 2.86 0.39 -1.68 114.93 117.50 3hx7 h MET 145 Ca -0.02 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 3hx7 h MET 145 Cb 0.52 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 3hx7 h MET 145 CO 0.03 0.21 -0.03 0.78 1.06 0.00 0.00 176.91 178.96 3hx7 h GLY 146 N 0.33 1.07 1.55 8.32 0.00 -0.09 -2.50 103.07 111.76 3hx7 h GLY 146 Ca 0.09 -0.81 -0.09 0.00 0.00 0.00 0.00 47.33 46.51 3hx7 h GLY 146 CO -0.02 0.75 -0.22 -0.55 0.00 0.00 0.00 176.54 176.50 3hx7 h ASP 147 N 0.87 0.52 -0.63 0.19 3.32 -0.89 -2.24 116.42 117.57 3hx7 h ASP 147 Ca 0.15 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3hx7 h ASP 147 Cb 0.58 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 3hx7 h ASP 147 CO 0.03 0.74 0.33 0.45 -1.72 0.00 0.00 179.24 179.08 3hx7 h HIS 148 N 0.47 0.88 0.02 4.55 3.86 -1.14 -1.76 115.15 122.03 3hx7 h HIS 148 Ca 0.07 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3hx7 h HIS 148 Cb 0.63 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.83 3hx7 h HIS 148 CO 0.02 0.64 -0.01 -0.07 0.86 0.00 0.00 177.93 179.38 3hx7 h LEU 149 N 0.86 -0.02 -2.34 2.43 3.38 -1.19 0.21 115.31 118.64 3hx7 h LEU 149 Ca 0.22 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3hx7 h LEU 149 Cb 0.07 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hx7 h LEU 149 CO -0.03 0.18 0.13 0.74 0.09 0.00 0.00 178.44 179.55 3hx7 h THR 150 N -0.23 0.45 0.02 0.22 2.02 -1.22 -0.88 112.91 113.29 3hx7 h THR 150 Ca -0.00 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.87 3hx7 h THR 150 Cb 0.22 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 3hx7 h THR 150 CO 0.00 0.00 -1.75 0.78 0.37 0.00 0.00 175.52 174.93 3hx7 h ASN 151 N 0.00 0.08 -0.26 4.18 2.35 -0.72 -3.00 115.58 118.20 3hx7 h ASN 151 Ca 0.05 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.50 3hx7 h ASN 151 Cb 0.31 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3hx7 h ASN 151 CO -0.00 1.15 -0.27 -0.07 -1.65 0.00 0.00 177.43 176.59 3hx7 h LEU 152 N 0.01 0.77 -0.35 1.61 3.38 0.42 -2.12 115.31 119.04 3hx7 h LEU 152 Ca -0.30 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.27 3hx7 h LEU 152 Cb 2.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 3hx7 h LEU 152 CO 0.08 1.00 -0.18 -0.74 0.09 0.00 0.00 178.44 178.69 3hx7 h HIS 153 N 0.65 0.87 0.00 1.13 2.76 -1.34 -2.91 115.15 116.31 3hx7 h HIS 153 Ca 0.08 -0.22 -0.01 0.00 -2.20 0.00 0.00 60.37 58.02 3hx7 h HIS 153 Cb 0.79 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.55 3hx7 h HIS 153 CO 0.04 0.95 -0.05 -0.09 -1.30 0.00 0.00 177.93 177.48 3hx7 h ARG 154 N 0.53 0.00 -1.98 5.26 2.43 -1.37 -3.19 114.38 116.07 3hx7 h ARG 154 Ca 0.08 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.94 3hx7 h ARG 154 Cb 0.73 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.16 3hx7 h ARG 154 CO 0.05 0.05 -0.04 1.28 -1.51 0.00 0.00 179.97 179.80 3hx7 n LEU 155 N -3.30 5.77 0.02 3.80 4.77 -0.81 -3.99 117.00 123.25 3hx7 n LEU 155 Ca -0.01 -3.50 0.00 0.00 -0.03 0.00 0.00 56.01 52.47 3hx7 n LEU 155 Cb 0.21 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 3hx7 n LEU 155 CO 0.26 1.67 -0.24 0.61 -1.33 0.00 0.00 177.39 178.36 3hx7 n GLY 156 N 1.75 -0.03 0.00 -0.72 0.00 -1.21 -5.04 105.19 99.94 3hx7 n GLY 156 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3hx7 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx7 n GLY 157 N 2.45 1.04 0.26 -0.02 0.00 -1.26 -5.02 105.19 102.65 3hx7 n GLY 157 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3hx7 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx7 h PRO 158 N 0.00 0.87 -2.04 1.61 0.13 -2.00 -3.33 132.00 127.24 3hx7 h PRO 158 Ca 0.00 -0.19 -0.41 0.00 -0.87 0.00 0.00 66.00 64.54 3hx7 h PRO 158 Cb 0.00 -0.13 -0.13 0.00 0.13 0.00 0.00 31.00 30.87 3hx7 h PRO 158 CO 0.00 0.79 0.27 0.39 -0.23 0.00 0.00 178.00 179.22 3hx7 n GLU 159 N -4.44 2.38 -0.22 0.86 1.02 -1.26 -4.70 120.64 114.27 3hx7 n GLU 159 Ca 0.03 -1.93 0.15 0.00 -0.02 0.00 0.00 57.16 55.39 3hx7 n GLU 159 Cb 0.20 -2.13 0.46 0.00 -0.02 0.00 0.00 31.44 29.95 3hx7 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hx7 h ALA 160 N 3.10 2.03 0.00 0.62 0.00 -1.71 -3.42 119.26 119.89 3hx7 h ALA 160 Ca 0.35 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3hx7 h ALA 160 Cb 0.97 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hx7 h ALA 160 CO 0.70 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.08