#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx2 s SER 2 N 0.00 6.40 0.87 7.83 1.04 -1.26 -5.07 113.70 123.50 3hx2 s SER 2 Ca 0.00 0.37 -0.12 0.00 0.48 0.00 0.00 55.95 56.68 3hx2 s SER 2 Cb 0.00 -2.00 0.09 0.00 0.10 0.00 0.00 66.02 64.21 3hx2 s SER 2 CO 0.00 0.08 0.98 -0.24 0.98 0.00 0.00 173.24 175.04 3hx2 n SER 3 N -0.05 0.01 0.22 7.02 2.88 -1.26 -4.92 113.62 117.52 3hx2 n SER 3 Ca -0.04 0.48 0.06 0.00 -1.33 0.00 0.00 58.87 58.03 3hx2 n SER 3 Cb 0.52 -1.42 0.51 0.00 -0.75 0.00 0.00 64.21 63.07 3hx2 n SER 3 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3hx2 h GLN 4 N -1.34 0.00 0.00 -1.46 4.15 -1.98 -3.11 115.11 111.37 3hx2 h GLN 4 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 3hx2 h GLN 4 Cb 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 3hx2 h GLN 4 CO 0.42 0.19 -0.92 0.44 -1.93 0.00 0.00 178.83 177.03 3hx2 n ILE 5 N -4.23 0.00 -1.70 2.39 -5.35 -1.26 -5.02 119.36 104.19 3hx2 n ILE 5 Ca -0.02 -0.17 -0.43 0.00 -0.27 0.00 0.00 62.75 61.86 3hx2 n ILE 5 Cb 0.26 0.85 -0.01 0.00 -1.74 0.00 0.00 39.64 39.00 3hx2 n ILE 5 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3hx2 n ARG 6 N -1.49 2.15 -3.29 6.28 0.63 -1.18 -4.82 116.66 114.93 3hx2 n ARG 6 Ca 0.02 0.75 0.03 0.00 -0.92 0.00 0.00 57.85 57.73 3hx2 n ARG 6 Cb 0.28 -2.35 -0.03 0.00 0.45 0.00 0.00 32.46 30.81 3hx2 n ARG 6 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3hx2 s GLN 7 N -1.67 0.30 -1.28 -0.14 0.74 -1.26 -4.94 119.66 111.40 3hx2 s GLN 7 Ca 0.57 0.66 0.00 0.00 0.05 0.00 0.00 55.36 56.64 3hx2 s GLN 7 Cb -0.57 0.39 0.00 0.00 1.10 0.00 0.00 33.01 33.92 3hx2 s GLN 7 CO 0.60 -0.20 0.00 -1.71 -0.55 0.00 0.00 175.29 173.43 3hx2 n ASN 8 N 5.21 -4.39 -4.11 6.67 5.15 -1.26 -4.97 115.26 117.55 3hx2 n ASN 8 Ca -0.07 0.14 -0.36 0.00 -0.60 0.00 0.00 54.58 53.69 3hx2 n ASN 8 Cb 0.53 -3.35 -0.11 0.00 -0.53 0.00 0.00 39.78 36.32 3hx2 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx2 s TYR 9 N -2.60 3.55 0.38 1.20 5.04 -1.26 -4.80 117.35 118.86 3hx2 s TYR 9 Ca 0.00 -2.49 -0.27 0.00 -2.44 0.00 0.00 57.07 51.87 3hx2 s TYR 9 Cb 0.00 -3.22 -0.09 0.00 0.35 0.00 0.00 41.96 39.00 3hx2 s TYR 9 CO 0.00 -0.94 1.30 -1.54 -1.34 0.00 0.00 175.55 173.03 3hx2 s SER 10 N 1.56 6.44 0.49 4.32 1.04 -1.26 -4.90 113.70 121.38 3hx2 s SER 10 Ca 0.10 2.66 0.33 0.00 0.48 0.00 0.00 55.95 59.52 3hx2 s SER 10 Cb -0.22 -2.64 1.67 0.00 0.10 0.00 0.00 66.02 64.93 3hx2 s SER 10 CO -0.04 -0.76 2.00 0.71 0.98 0.00 0.00 173.24 176.13 3hx2 h THR 11 N 2.62 0.00 -0.02 2.02 1.35 -1.99 -1.23 112.91 115.66 3hx2 h THR 11 Ca -0.49 -0.12 -0.20 0.00 -0.55 0.00 0.00 66.41 65.05 3hx2 h THR 11 Cb 1.24 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3hx2 h THR 11 CO 0.63 0.00 -0.85 0.44 -0.25 0.00 0.00 175.52 175.49 3hx2 h ASP 12 N 0.00 0.41 0.02 5.36 3.45 -2.00 -2.55 116.42 121.11 3hx2 h ASP 12 Ca 0.00 -0.31 -0.00 0.00 0.43 0.00 0.00 57.03 57.15 3hx2 h ASP 12 Cb 0.14 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 3hx2 h ASP 12 CO 0.00 1.09 -0.01 0.58 -1.57 0.00 0.00 179.24 179.33 3hx2 h VAL 13 N 0.20 1.41 -0.85 -1.35 2.07 -1.62 -2.71 116.25 113.41 3hx2 h VAL 13 Ca -0.05 -1.41 0.21 0.00 0.82 0.00 0.00 66.70 66.27 3hx2 h VAL 13 Cb 1.47 2.35 -0.13 0.00 -1.52 0.00 0.00 31.29 33.46 3hx2 h VAL 13 CO 0.14 0.36 0.26 -0.08 0.02 0.00 0.00 177.57 178.27 3hx2 h GLU 14 N -0.65 0.27 -0.22 1.57 4.81 -1.43 0.14 114.58 119.08 3hx2 h GLU 14 Ca -0.00 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.03 3hx2 h GLU 14 Cb 0.61 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 3hx2 h GLU 14 CO 0.00 0.18 -0.58 0.00 -0.73 0.00 0.00 179.01 177.89 3hx2 h ALA 15 N 1.72 0.57 -0.40 2.92 0.00 -1.50 -2.60 119.26 119.97 3hx2 h ALA 15 Ca 0.52 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3hx2 h ALA 15 Cb 0.99 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3hx2 h ALA 15 CO -0.58 0.69 -0.04 0.00 0.00 0.00 0.00 179.25 179.32 3hx2 h ALA 16 N 0.82 1.18 0.73 0.00 0.00 -0.50 -2.04 119.26 119.46 3hx2 h ALA 16 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3hx2 h ALA 16 Cb 1.16 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.79 3hx2 h ALA 16 CO 0.12 0.53 -0.35 0.28 0.00 0.00 0.00 179.25 179.82 3hx2 h VAL 17 N 0.62 0.14 -0.03 0.00 2.07 -0.76 0.15 116.25 118.45 3hx2 h VAL 17 Ca 0.12 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3hx2 h VAL 17 Cb 0.45 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3hx2 h VAL 17 CO 0.02 0.01 0.17 0.78 0.02 0.00 0.00 177.57 178.58 3hx2 h ASN 18 N -1.16 0.00 0.64 0.57 2.35 -1.40 0.42 115.58 117.00 3hx2 h ASN 18 Ca -0.10 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.38 3hx2 h ASN 18 Cb 0.78 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 3hx2 h ASN 18 CO 0.17 0.00 -1.30 -1.28 -1.65 0.00 0.00 177.43 173.36 3hx2 h SER 19 N 0.00 0.31 -0.18 5.81 0.87 -0.90 -2.96 113.55 116.51 3hx2 h SER 19 Ca 0.02 -0.37 -0.07 0.00 -1.23 0.00 0.00 61.79 60.14 3hx2 h SER 19 Cb 0.36 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3hx2 h SER 19 CO -0.00 1.30 -0.15 0.25 -0.53 0.00 0.00 176.83 177.69 3hx2 h LEU 20 N 0.05 0.44 -0.65 2.23 5.85 0.18 -2.02 115.31 121.38 3hx2 h LEU 20 Ca -0.15 -0.46 0.11 0.00 0.84 0.00 0.00 57.88 58.22 3hx2 h LEU 20 Cb 1.95 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 42.77 3hx2 h LEU 20 CO 0.17 0.81 0.23 0.58 -0.34 0.00 0.00 178.44 179.89 3hx2 h VAL 21 N 0.07 0.71 -0.70 1.05 2.07 -0.99 0.28 116.25 118.74 3hx2 h VAL 21 Ca 0.03 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3hx2 h VAL 21 Cb 0.68 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3hx2 h VAL 21 CO 0.04 0.07 0.26 -1.13 0.02 0.00 0.00 177.57 176.83 3hx2 h ASN 22 N 0.39 0.99 -0.43 0.57 -0.73 -1.43 -0.02 115.58 114.92 3hx2 h ASN 22 Ca 0.34 -0.18 -0.05 0.00 1.87 0.00 0.00 56.30 58.27 3hx2 h ASN 22 Cb 0.47 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 3hx2 h ASN 22 CO -0.36 0.90 0.09 0.25 -0.37 0.00 0.00 177.43 177.95 3hx2 h LEU 23 N 1.01 0.72 -0.12 0.34 5.85 0.01 -1.50 115.31 121.62 3hx2 h LEU 23 Ca 0.23 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3hx2 h LEU 23 Cb 0.24 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3hx2 h LEU 23 CO -0.02 0.73 -0.14 1.88 -0.34 0.00 0.00 178.44 180.56 3hx2 h TYR 24 N 0.74 0.37 -0.52 1.25 -1.99 -0.27 -1.77 116.97 114.77 3hx2 h TYR 24 Ca 0.16 -0.12 0.15 0.00 2.00 0.00 0.00 58.73 60.92 3hx2 h TYR 24 Cb 0.32 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 3hx2 h TYR 24 CO 0.02 0.73 0.38 -0.07 -0.00 0.00 0.00 178.16 179.21 3hx2 h LEU 25 N -0.09 0.00 0.18 3.88 3.38 -0.65 0.18 115.31 122.20 3hx2 h LEU 25 Ca 0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.67 3hx2 h LEU 25 Cb 0.67 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.44 3hx2 h LEU 25 CO 0.03 0.00 -1.49 -0.61 0.09 0.00 0.00 178.44 176.46 3hx2 h GLN 26 N 0.00 0.39 -0.37 1.13 4.15 -1.11 -2.91 115.11 116.39 3hx2 h GLN 26 Ca 0.25 -0.67 -0.02 0.00 0.77 0.00 0.00 58.65 58.98 3hx2 h GLN 26 Cb 1.01 0.25 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 3hx2 h GLN 26 CO -0.00 1.30 0.16 0.00 -1.93 0.00 0.00 178.83 178.35 3hx2 h ALA 27 N 0.32 0.47 -0.11 3.38 0.00 -0.15 -1.33 119.26 121.84 3hx2 h ALA 27 Ca -0.24 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.59 3hx2 h ALA 27 Cb 2.08 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.67 3hx2 h ALA 27 CO 0.22 0.06 -0.29 1.03 0.00 0.00 0.00 179.25 180.27 3hx2 h SER 28 N 0.45 -0.90 -0.52 0.00 0.87 -0.82 -0.33 113.55 112.29 3hx2 h SER 28 Ca 0.12 0.13 0.07 0.00 -1.23 0.00 0.00 61.79 60.89 3hx2 h SER 28 Cb 0.16 0.39 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 3hx2 h SER 28 CO -0.01 -0.34 0.35 0.22 -0.53 0.00 0.00 176.83 176.52 3hx2 h TYR 29 N -0.38 0.43 -0.31 2.24 3.20 -1.30 0.32 116.97 121.18 3hx2 h TYR 29 Ca 0.09 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 3hx2 h TYR 29 Cb 0.52 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3hx2 h TYR 29 CO -0.38 0.22 -0.26 1.15 -1.64 0.00 0.00 178.16 177.26 3hx2 h THR 30 N 0.42 1.30 -0.37 1.81 2.02 0.06 -2.39 112.91 115.75 3hx2 h THR 30 Ca 0.23 -1.42 -0.06 0.00 0.77 0.00 0.00 66.41 65.94 3hx2 h THR 30 Cb 0.37 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3hx2 h THR 30 CO -0.06 0.46 0.01 1.88 0.37 0.00 0.00 175.52 178.18 3hx2 h TYR 31 N 0.47 0.70 -0.67 3.16 0.05 -0.15 -1.62 116.97 118.91 3hx2 h TYR 31 Ca 0.05 -0.12 0.10 0.00 0.05 0.00 0.00 58.73 58.82 3hx2 h TYR 31 Cb 0.82 -0.18 -0.08 0.00 1.01 0.00 0.00 36.73 38.30 3hx2 h TYR 31 CO 0.07 0.73 0.28 1.25 -1.05 0.00 0.00 178.16 179.44 3hx2 h LEU 32 N 0.47 0.30 -0.64 3.88 5.85 -0.92 0.32 115.31 124.57 3hx2 h LEU 32 Ca 0.11 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 3hx2 h LEU 32 Cb 0.45 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3hx2 h LEU 32 CO 0.02 0.16 0.19 -1.28 -0.34 0.00 0.00 178.44 177.19 3hx2 h SER 33 N 0.47 0.94 -0.71 1.25 0.87 -1.17 -2.62 113.55 112.57 3hx2 h SER 33 Ca 0.34 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3hx2 h SER 33 Cb 0.43 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 3hx2 h SER 33 CO -0.32 0.90 0.39 -0.07 -0.53 0.00 0.00 176.83 177.20 3hx2 h LEU 34 N 0.92 0.89 0.26 2.23 3.38 -0.09 -1.85 115.31 121.06 3hx2 h LEU 34 Ca 0.20 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hx2 h LEU 34 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hx2 h LEU 34 CO -0.00 0.73 -0.27 1.23 0.09 0.00 0.00 178.44 180.21 3hx2 h GLY 35 N 0.98 -1.00 2.00 0.83 0.00 -0.08 -2.30 103.07 103.48 3hx2 h GLY 35 Ca 0.25 0.46 0.00 0.00 0.00 0.00 0.00 47.33 48.04 3hx2 h GLY 35 CO -0.04 -0.32 0.00 0.74 0.00 0.00 0.00 176.54 176.92 3hx2 h PHE 36 N -0.53 0.00 -0.35 5.60 -1.00 -1.48 -1.64 116.94 117.54 3hx2 h PHE 36 Ca -0.03 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.67 3hx2 h PHE 36 Cb 0.46 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 3hx2 h PHE 36 CO -0.17 0.00 -0.07 -0.92 -1.61 0.00 0.00 178.31 175.53 3hx2 h TYR 37 N 0.00 0.75 0.00 -0.55 3.20 -0.76 -2.46 116.97 117.15 3hx2 h TYR 37 Ca 0.00 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.71 3hx2 h TYR 37 Cb 0.14 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.22 3hx2 h TYR 37 CO 0.00 0.82 0.00 1.19 -1.64 0.00 0.00 178.16 178.53 3hx2 n PHE 38 N -4.42 0.00 0.60 -3.82 3.72 -0.63 -2.61 117.46 110.30 3hx2 n PHE 38 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 3hx2 n PHE 38 Cb 0.33 -0.44 0.25 0.00 -0.94 0.00 0.00 39.48 38.68 3hx2 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx2 n ASP 39 N -1.44 0.73 -4.75 4.37 -0.08 -0.94 -1.83 116.55 112.60 3hx2 n ASP 39 Ca 0.08 0.26 -0.42 0.00 -1.51 0.00 0.00 54.79 53.21 3hx2 n ASP 39 Cb 0.28 -0.14 -0.00 0.00 2.34 0.00 0.00 41.12 43.60 3hx2 n ASP 39 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3hx2 n ARG 40 N -2.15 2.56 0.23 -0.67 1.74 -1.07 -4.70 116.66 112.59 3hx2 n ARG 40 Ca 0.04 0.90 0.16 0.00 -0.77 0.00 0.00 57.85 58.18 3hx2 n ARG 40 Cb 0.43 -2.61 0.83 0.00 -1.02 0.00 0.00 32.46 30.10 3hx2 n ARG 40 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3hx2 h ASP 41 N 3.15 0.00 -0.41 0.55 2.03 -1.90 0.21 116.42 120.05 3hx2 h ASP 41 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 3hx2 h ASP 41 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 3hx2 h ASP 41 CO 0.66 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.97 3hx2 n ASP 42 N -3.92 2.68 0.01 4.15 3.85 -1.26 -4.20 116.55 117.85 3hx2 n ASP 42 Ca 0.00 -1.93 -0.03 0.00 -0.71 0.00 0.00 54.79 52.12 3hx2 n ASP 42 Cb 0.25 -0.27 -0.01 0.00 -1.35 0.00 0.00 41.12 39.73 3hx2 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx2 n VAL 43 N 0.97 0.97 -3.69 2.12 0.31 -0.46 -5.09 118.33 113.47 3hx2 n VAL 43 Ca 0.18 0.23 -0.26 0.00 -0.01 0.00 0.00 64.34 64.48 3hx2 n VAL 43 Cb 0.45 -1.67 0.01 0.00 -0.91 0.00 0.00 33.84 31.72 3hx2 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx2 n ALA 44 N -3.52 -2.70 -3.18 3.52 0.00 0.63 -4.97 120.51 110.29 3hx2 n ALA 44 Ca -0.04 -0.12 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 3hx2 n ALA 44 Cb 0.23 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 3hx2 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hx2 n LEU 45 N -2.08 1.11 -0.59 0.00 4.77 -0.76 -4.96 117.00 114.49 3hx2 n LEU 45 Ca -0.25 -4.99 0.47 0.00 -0.03 0.00 0.00 56.01 51.21 3hx2 n LEU 45 Cb 0.68 0.49 0.79 0.00 -2.33 0.00 0.00 43.42 43.05 3hx2 n LEU 45 CO 0.61 2.20 1.43 -0.08 -1.33 0.00 0.00 177.39 180.23 3hx2 h GLU 46 N 3.42 0.01 0.09 3.23 4.81 -1.94 0.32 114.58 124.52 3hx2 h GLU 46 Ca 0.10 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3hx2 h GLU 46 Cb 0.88 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3hx2 h GLU 46 CO 0.54 0.01 -0.04 0.78 -0.73 0.00 0.00 179.01 179.56 3hx2 h GLY 47 N 0.01 -0.12 0.80 1.92 0.00 -1.95 -0.54 103.07 103.19 3hx2 h GLY 47 Ca 0.83 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 48.20 3hx2 h GLY 47 CO -0.04 -0.05 -0.05 -2.08 0.00 0.00 0.00 176.54 174.33 3hx2 h VAL 48 N -0.33 1.02 -0.43 4.60 2.07 -0.85 -2.35 116.25 119.98 3hx2 h VAL 48 Ca -0.01 -0.44 0.09 0.00 0.82 0.00 0.00 66.70 67.15 3hx2 h VAL 48 Cb 0.28 1.31 -0.09 0.00 -1.52 0.00 0.00 31.29 31.27 3hx2 h VAL 48 CO 0.02 0.11 -0.23 -1.28 0.02 0.00 0.00 177.57 176.21 3hx2 h SER 49 N -0.33 -0.78 -0.97 0.57 0.87 -1.11 0.15 113.55 111.94 3hx2 h SER 49 Ca -0.01 0.17 0.08 0.00 -1.23 0.00 0.00 61.79 60.80 3hx2 h SER 49 Cb 0.28 0.41 -0.07 0.00 -0.44 0.00 0.00 62.40 62.58 3hx2 h SER 49 CO 0.02 -0.25 0.62 -0.74 -0.53 0.00 0.00 176.83 175.94 3hx2 h HIS 50 N -0.15 1.14 -0.33 2.24 6.17 -0.98 -1.42 115.15 121.82 3hx2 h HIS 50 Ca 0.20 0.03 0.06 0.00 0.71 0.00 0.00 60.37 61.37 3hx2 h HIS 50 Cb 0.47 -0.37 -0.05 0.00 2.52 0.00 0.00 27.41 29.98 3hx2 h HIS 50 CO -0.48 0.54 0.01 0.35 0.71 0.00 0.00 177.93 179.06 3hx2 h PHE 51 N 1.07 -0.00 -0.18 5.26 3.57 -0.15 -1.63 116.94 124.88 3hx2 h PHE 51 Ca 0.44 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.80 3hx2 h PHE 51 Cb 0.27 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 3hx2 h PHE 51 CO -0.01 -0.05 -0.58 0.74 -2.23 0.00 0.00 178.31 176.18 3hx2 h PHE 52 N 0.10 0.72 0.00 0.41 0.05 -1.03 -2.68 116.94 114.51 3hx2 h PHE 52 Ca 0.16 -0.26 -0.00 0.00 3.82 0.00 0.00 57.97 61.68 3hx2 h PHE 52 Cb 0.21 -0.13 -0.00 0.00 2.00 0.00 0.00 35.95 38.03 3hx2 h PHE 52 CO -0.23 1.01 -0.01 0.00 -0.18 0.00 0.00 178.31 178.90 3hx2 h ARG 53 N 0.43 0.00 0.10 1.51 3.08 -0.76 0.29 114.38 119.02 3hx2 h ARG 53 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 3hx2 h ARG 53 Cb 1.14 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.22 3hx2 h ARG 53 CO 0.11 0.01 -1.16 0.93 -1.07 0.00 0.00 179.97 178.79 3hx2 h GLU 54 N 0.00 0.61 -0.79 0.04 5.08 -1.08 -3.19 114.58 115.26 3hx2 h GLU 54 Ca -0.00 -0.79 -0.05 0.00 -1.00 0.00 0.00 59.36 57.52 3hx2 h GLU 54 Cb 0.03 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3hx2 h GLU 54 CO 0.00 1.35 0.31 -0.07 -1.00 0.00 0.00 179.01 179.61 3hx2 h LEU 55 N 0.23 1.09 -1.62 1.33 3.38 -0.66 0.83 115.31 119.89 3hx2 h LEU 55 Ca -0.17 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 57.74 3hx2 h LEU 55 Cb 1.84 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 42.27 3hx2 h LEU 55 CO 0.22 0.97 0.44 0.00 0.09 0.00 0.00 178.44 180.16 3hx2 h ALA 56 N 1.16 2.05 0.09 1.53 0.00 -0.58 0.48 119.26 124.01 3hx2 h ALA 56 Ca 0.26 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.87 3hx2 h ALA 56 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3hx2 h ALA 56 CO -0.02 -0.21 -1.47 1.49 0.00 0.00 0.00 179.25 179.04 3hx2 h GLU 57 N 0.41 0.20 -0.50 0.00 4.57 -1.28 -2.85 114.58 115.13 3hx2 h GLU 57 Ca 0.31 -0.34 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 3hx2 h GLU 57 Cb 0.65 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 3hx2 h GLU 57 CO -0.09 1.05 0.15 0.93 -1.18 0.00 0.00 179.01 179.88 3hx2 h GLU 58 N 0.05 0.73 -0.05 1.92 5.08 0.51 0.22 114.58 123.04 3hx2 h GLU 58 Ca -0.21 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 57.98 3hx2 h GLU 58 Cb 1.98 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.11 3hx2 h GLU 58 CO 0.15 0.64 -0.14 0.87 -1.00 0.00 0.00 179.01 179.53 3hx2 h LYS 59 N 0.72 0.19 -1.00 2.33 1.79 -1.04 -2.16 116.57 117.41 3hx2 h LYS 59 Ca 0.17 -0.13 0.10 0.00 -2.18 0.00 0.00 60.65 58.61 3hx2 h LYS 59 Cb 0.22 0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 30.81 3hx2 h LYS 59 CO -0.01 0.74 0.64 -0.09 -1.08 0.00 0.00 179.45 179.65 3hx2 h ARG 60 N -0.33 1.02 -0.99 3.15 2.43 -1.27 0.42 114.38 118.81 3hx2 h ARG 60 Ca -0.00 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3hx2 h ARG 60 Cb 0.75 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 3hx2 h ARG 60 CO 0.03 0.67 0.65 1.49 -1.51 0.00 0.00 179.97 181.30 3hx2 h GLU 61 N 1.05 1.23 0.66 0.20 4.22 -0.85 -2.03 114.58 119.06 3hx2 h GLU 61 Ca 0.48 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.81 3hx2 h GLU 61 Cb 0.39 -0.28 0.01 0.00 0.50 0.00 0.00 28.75 29.37 3hx2 h GLU 61 CO -0.23 0.81 -0.32 0.78 -2.18 0.00 0.00 179.01 177.87 3hx2 h GLY 62 N 1.27 -0.93 1.72 1.92 0.00 0.46 -2.04 103.07 105.47 3hx2 h GLY 62 Ca 0.39 0.34 -0.00 0.00 0.00 0.00 0.00 47.33 48.06 3hx2 h GLY 62 CO -0.12 -0.34 0.16 0.10 0.00 0.00 0.00 176.54 176.35 3hx2 h TYR 63 N -1.05 0.35 -0.17 5.60 -0.00 -1.09 -0.49 116.97 120.12 3hx2 h TYR 63 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.53 3hx2 h TYR 63 Cb 0.72 -0.12 -0.01 0.00 0.00 0.00 0.00 36.73 37.32 3hx2 h TYR 63 CO -0.01 0.24 -0.37 0.93 -0.00 0.00 0.00 178.16 178.95 3hx2 h GLU 64 N 0.38 0.37 -0.29 0.10 5.08 -1.34 -0.15 114.58 118.73 3hx2 h GLU 64 Ca 0.10 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 3hx2 h GLU 64 Cb -0.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3hx2 h GLU 64 CO -0.02 0.70 -0.43 -0.09 -1.00 0.00 0.00 179.01 178.17 3hx2 h ARG 65 N 0.32 0.74 0.74 2.33 2.43 -0.39 -1.60 114.38 118.95 3hx2 h ARG 65 Ca 0.03 -0.40 -0.04 0.00 -0.81 0.00 0.00 59.98 58.76 3hx2 h ARG 65 Cb 0.80 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.38 3hx2 h ARG 65 CO 0.06 1.02 -0.36 -0.07 -1.51 0.00 0.00 179.97 179.12 3hx2 h LEU 66 N 0.60 -0.85 -2.10 3.80 3.38 -0.66 -1.32 115.31 118.16 3hx2 h LEU 66 Ca 0.04 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3hx2 h LEU 66 Cb 0.99 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3hx2 h LEU 66 CO 0.09 -0.55 0.20 -0.07 0.09 0.00 0.00 178.44 178.20 3hx2 h LEU 67 N -1.09 0.00 -0.24 1.67 3.38 -1.05 0.33 115.31 118.31 3hx2 h LEU 67 Ca -0.10 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 3hx2 h LEU 67 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3hx2 h LEU 67 CO 0.17 0.00 -0.53 0.50 0.09 0.00 0.00 178.44 178.67 3hx2 h LYS 68 N 0.00 0.78 -0.17 1.13 1.63 -1.00 -2.82 116.57 116.12 3hx2 h LYS 68 Ca 0.11 -0.52 -0.13 0.00 -0.85 0.00 0.00 60.65 59.26 3hx2 h LYS 68 Cb 0.50 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 3hx2 h LYS 68 CO -0.00 1.15 -0.46 1.98 -3.45 0.00 0.00 179.45 178.66 3hx2 h MET 69 N 0.52 0.42 0.20 1.90 4.05 0.32 -2.57 114.93 119.77 3hx2 h MET 69 Ca 0.00 -0.23 0.01 0.00 -0.28 0.00 0.00 59.70 59.20 3hx2 h MET 69 Cb 1.14 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.93 3hx2 h MET 69 CO 0.12 0.80 -0.26 0.37 0.23 0.00 0.00 176.91 178.17 3hx2 h GLN 70 N 0.34 -0.49 0.00 0.39 5.75 -0.38 -1.57 115.11 119.15 3hx2 h GLN 70 Ca 0.02 0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 3hx2 h GLN 70 Cb 0.95 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.60 3hx2 h GLN 70 CO 0.08 -0.33 -0.12 -0.91 -2.65 0.00 0.00 178.83 174.90 3hx2 h ASN 71 N -0.51 0.00 0.03 -0.69 4.21 -1.42 -1.35 115.58 115.84 3hx2 h ASN 71 Ca 0.01 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.40 3hx2 h ASN 71 Cb 0.50 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 3hx2 h ASN 71 CO -0.09 0.12 -0.39 1.56 -1.29 0.00 0.00 177.43 177.35 3hx2 h GLN 72 N 0.00 0.47 0.00 0.81 4.20 -0.92 -2.89 115.11 116.78 3hx2 h GLN 72 Ca -0.00 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3hx2 h GLN 72 Cb 0.23 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3hx2 h GLN 72 CO 0.02 0.79 -0.24 0.00 -0.67 0.00 0.00 178.83 178.72 3hx2 h ARG 73 N 0.39 0.00 0.00 1.46 2.47 -0.84 -3.47 114.38 114.39 3hx2 h ARG 73 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 3hx2 h ARG 73 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 3hx2 h ARG 73 CO 0.07 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.01 3hx2 n GLY 74 N 1.21 0.99 3.16 0.04 0.00 -0.96 -3.84 105.19 105.78 3hx2 n GLY 74 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 3hx2 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx2 n GLY 75 N -1.20 -3.40 2.90 -0.02 0.00 -0.55 -4.61 105.19 98.30 3hx2 n GLY 75 Ca 0.00 -1.41 -0.18 0.00 0.00 0.00 0.00 46.02 44.42 3hx2 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx2 s ARG 76 N -4.55 0.63 0.07 1.61 1.81 -1.26 -4.40 118.95 112.85 3hx2 s ARG 76 Ca 0.57 -0.11 -0.31 0.00 -1.72 0.00 0.00 55.73 54.17 3hx2 s ARG 76 Cb -0.11 -0.66 -0.06 0.00 -0.45 0.00 0.00 34.95 33.67 3hx2 s ARG 76 CO 0.49 -0.02 1.31 0.00 -0.68 0.00 0.00 175.30 176.40 3hx2 s ALA 77 N 0.61 3.51 -0.09 2.13 0.00 -1.26 -4.95 121.76 121.71 3hx2 s ALA 77 Ca -0.07 0.95 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 3hx2 s ALA 77 Cb -0.11 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.53 3hx2 s ALA 77 CO -0.00 -0.61 -0.02 -0.51 0.00 0.00 0.00 175.76 174.62 3hx2 s LEU 78 N 1.38 0.81 -0.01 0.00 1.43 -1.26 -5.14 118.68 115.89 3hx2 s LEU 78 Ca 0.62 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.52 3hx2 s LEU 78 Cb -0.33 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 3hx2 s LEU 78 CO 0.29 -0.17 0.11 -0.36 0.23 0.00 0.00 176.35 176.45 3hx2 s PHE 79 N 1.88 3.37 0.27 0.29 0.08 -1.26 -4.88 117.98 117.74 3hx2 s PHE 79 Ca 0.05 0.26 0.08 0.00 0.12 0.00 0.00 56.93 57.44 3hx2 s PHE 79 Cb -0.12 -1.77 -0.06 0.00 -0.57 0.00 0.00 43.02 40.50 3hx2 s PHE 79 CO -0.06 0.59 -0.10 -0.65 -0.10 0.00 0.00 175.22 174.89 3hx2 s GLN 80 N -1.79 1.56 0.71 0.44 -1.52 -1.26 -5.12 119.66 112.68 3hx2 s GLN 80 Ca 0.24 -1.77 -0.16 0.00 -1.95 0.00 0.00 55.36 51.72 3hx2 s GLN 80 Cb -0.12 -1.31 -0.01 0.00 -0.22 0.00 0.00 33.01 31.36 3hx2 s GLN 80 CO 0.15 0.12 0.90 -0.25 -0.25 0.00 0.00 175.29 175.96 3hx2 n ASP 81 N -0.58 0.26 -4.44 5.90 10.43 -1.26 -4.96 116.55 121.90 3hx2 n ASP 81 Ca -0.06 0.67 -0.38 0.00 2.57 0.00 0.00 54.79 57.59 3hx2 n ASP 81 Cb 0.62 -1.38 -0.12 0.00 1.84 0.00 0.00 41.12 42.09 3hx2 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx2 s ILE 82 N -1.80 4.50 0.23 0.53 1.01 -1.26 -5.07 121.20 119.34 3hx2 s ILE 82 Ca 0.72 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.71 3hx2 s ILE 82 Cb -0.35 -3.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.78 3hx2 s ILE 82 CO 0.51 0.15 1.49 -0.54 0.00 0.00 0.00 174.94 176.55 3hx2 s LYS 83 N 1.61 4.24 0.75 2.79 1.02 -1.26 -4.98 119.74 123.91 3hx2 s LYS 83 Ca 0.05 2.35 -0.14 0.00 0.02 0.00 0.00 55.97 58.25 3hx2 s LYS 83 Cb -0.17 -3.11 0.05 0.00 -0.52 0.00 0.00 37.83 34.09 3hx2 s LYS 83 CO 0.05 -0.49 1.21 -1.59 -0.92 0.00 0.00 175.35 173.61 3hx2 s LYS 84 N 0.01 1.98 0.52 1.68 -2.85 -1.26 -4.90 119.74 114.92 3hx2 s LYS 84 Ca 0.63 1.76 -0.22 0.00 -1.00 0.00 0.00 55.97 57.14 3hx2 s LYS 84 Cb -0.43 -1.82 -0.07 0.00 -2.06 0.00 0.00 37.83 33.46 3hx2 s LYS 84 CO 0.41 -1.95 1.13 -2.30 0.10 0.00 0.00 175.35 172.74 3hx2 n PRO 85 N -2.90 1.38 -0.23 1.78 -0.02 -1.26 -4.90 135.00 128.86 3hx2 n PRO 85 Ca 0.13 0.51 0.24 0.00 -2.02 0.00 0.00 63.50 62.36 3hx2 n PRO 85 Cb 0.50 -2.29 0.60 0.00 -0.02 0.00 0.00 33.50 32.29 3hx2 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx2 h ALA 86 N 1.24 2.47 -1.99 3.55 0.00 -1.97 -3.43 119.26 119.13 3hx2 h ALA 86 Ca -0.48 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 53.96 3hx2 h ALA 86 Cb 1.33 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 3hx2 h ALA 86 CO 0.55 -0.76 -0.59 -1.21 0.00 0.00 0.00 179.25 177.24 3hx2 s GLU 87 N -5.25 1.67 -0.16 0.00 0.41 -1.26 -5.06 118.70 109.05 3hx2 s GLU 87 Ca -0.07 -1.95 -0.02 0.00 -0.41 0.00 0.00 54.97 52.53 3hx2 s GLU 87 Cb 0.23 -0.75 -0.09 0.00 -1.78 0.00 0.00 34.13 31.74 3hx2 s GLU 87 CO 0.78 -0.25 -0.16 -0.25 -0.49 0.00 0.00 175.26 174.89 3hx2 n ASP 88 N -0.77 2.25 -4.28 -0.19 8.00 -1.26 -4.97 116.55 115.33 3hx2 n ASP 88 Ca -0.03 0.01 -0.32 0.00 0.71 0.00 0.00 54.79 55.17 3hx2 n ASP 88 Cb 0.66 -0.32 -0.16 0.00 -0.02 0.00 0.00 41.12 41.28 3hx2 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx2 s GLU 89 N -2.30 2.89 -0.32 -1.24 2.02 -1.26 -4.98 118.70 113.51 3hx2 s GLU 89 Ca -0.21 -0.84 0.10 0.00 0.02 0.00 0.00 54.97 54.04 3hx2 s GLU 89 Cb 0.06 -2.32 0.71 0.00 0.10 0.00 0.00 34.13 32.69 3hx2 s GLU 89 CO 0.33 0.29 1.76 0.91 0.02 0.00 0.00 175.26 178.57 3hx2 n TRP 90 N 3.23 2.27 -1.38 1.61 7.02 -1.26 -5.06 117.44 123.88 3hx2 n TRP 90 Ca -0.18 -1.24 0.00 0.00 -1.02 0.00 0.00 57.50 55.06 3hx2 n TRP 90 Cb 0.52 -0.66 0.00 0.00 -2.42 0.00 0.00 31.31 28.76 3hx2 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx2 n GLY 91 N -0.30 3.08 3.97 6.99 0.00 -1.26 -3.56 105.19 114.12 3hx2 n GLY 91 Ca 0.40 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 3hx2 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx2 s LYS 92 N 0.00 2.05 0.12 1.61 1.02 -1.26 -4.91 119.74 118.38 3hx2 s LYS 92 Ca 0.00 -0.77 -0.20 0.00 0.02 0.00 0.00 55.97 55.02 3hx2 s LYS 92 Cb 0.00 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 3hx2 s LYS 92 CO 0.00 -1.19 1.74 1.15 -0.92 0.00 0.00 175.35 176.13 3hx2 h THR 93 N -0.38 0.92 -0.96 2.17 2.02 -2.00 -1.86 112.91 112.81 3hx2 h THR 93 Ca -0.41 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 66.77 3hx2 h THR 93 Cb 1.29 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 68.43 3hx2 h THR 93 CO 0.49 0.02 0.63 -0.65 0.37 0.00 0.00 175.52 176.37 3hx2 h PRO 94 N 0.12 1.18 0.15 6.66 0.11 -1.95 -0.78 132.00 137.48 3hx2 h PRO 94 Ca 0.09 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.13 3hx2 h PRO 94 Cb 0.08 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 3hx2 h PRO 94 CO -0.11 0.78 -0.19 -0.44 -0.21 0.00 0.00 178.00 177.83 3hx2 h ASP 95 N 1.21 -0.50 -0.17 -2.05 3.45 -1.77 -0.37 116.42 116.22 3hx2 h ASP 95 Ca 0.38 0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.84 3hx2 h ASP 95 Cb 0.00 0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 3hx2 h ASP 95 CO -0.12 -0.27 -0.04 0.00 -1.57 0.00 0.00 179.24 177.23 3hx2 h ALA 96 N 0.41 1.37 -0.34 3.45 0.00 -1.07 -2.06 119.26 121.01 3hx2 h ALA 96 Ca 0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3hx2 h ALA 96 Cb 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hx2 h ALA 96 CO -0.07 0.43 -0.19 1.98 0.00 0.00 0.00 179.25 181.40 3hx2 h MET 97 N 0.45 0.74 -0.21 0.00 -1.53 -0.79 -1.87 114.93 111.72 3hx2 h MET 97 Ca 0.09 -0.33 0.02 0.00 -3.44 0.00 0.00 59.70 56.05 3hx2 h MET 97 Cb 0.36 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.37 3hx2 h MET 97 CO 0.02 0.95 0.05 0.87 0.14 0.00 0.00 176.91 178.93 3hx2 h LYS 98 N 0.52 0.13 -0.64 0.39 1.57 -0.81 0.84 116.57 118.57 3hx2 h LYS 98 Ca 0.07 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 3hx2 h LYS 98 Cb 0.74 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 3hx2 h LYS 98 CO 0.06 0.09 0.30 0.00 -0.57 0.00 0.00 179.45 179.33 3hx2 h ALA 99 N 1.14 0.86 -0.41 3.86 0.00 -1.26 -0.47 119.26 122.98 3hx2 h ALA 99 Ca 0.09 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3hx2 h ALA 99 Cb 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hx2 h ALA 99 CO -0.11 -0.08 -0.21 0.00 0.00 0.00 0.00 179.25 178.84 3hx2 h ALA 100 N 1.39 0.85 -0.76 0.00 0.00 -0.74 -1.44 119.26 118.55 3hx2 h ALA 100 Ca 0.31 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hx2 h ALA 100 Cb 0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3hx2 h ALA 100 CO -0.25 0.64 0.48 1.98 0.00 0.00 0.00 179.25 182.10 3hx2 h MET 101 N 0.71 0.93 0.37 0.00 -1.53 0.08 -0.85 114.93 114.65 3hx2 h MET 101 Ca 0.10 -0.06 -0.02 0.00 -3.44 0.00 0.00 59.70 56.29 3hx2 h MET 101 Cb 0.74 -0.21 0.00 0.00 -0.55 0.00 0.00 31.60 31.58 3hx2 h MET 101 CO 0.06 0.61 -0.18 0.00 0.14 0.00 0.00 176.91 177.54 3hx2 h ALA 102 N 1.31 -0.50 -0.48 0.39 0.00 -0.79 -1.17 119.26 118.02 3hx2 h ALA 102 Ca 0.30 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.20 3hx2 h ALA 102 Cb -0.01 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hx2 h ALA 102 CO -0.10 -0.72 0.36 1.25 0.00 0.00 0.00 179.25 180.04 3hx2 h LEU 103 N -0.63 0.00 0.06 0.00 5.85 -1.00 0.50 115.31 120.09 3hx2 h LEU 103 Ca -0.05 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.52 3hx2 h LEU 103 Cb 0.46 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.51 3hx2 h LEU 103 CO 0.08 0.00 -0.63 -0.33 -0.34 0.00 0.00 178.44 177.22 3hx2 h GLU 104 N 0.00 0.32 -0.62 1.25 4.39 -0.84 -2.33 114.58 116.75 3hx2 h GLU 104 Ca 0.23 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 3hx2 h GLU 104 Cb 0.94 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 3hx2 h GLU 104 CO -0.00 1.14 0.34 0.87 -1.16 0.00 0.00 179.01 180.20 3hx2 h LYS 105 N -0.31 0.84 -0.35 2.33 1.57 -0.26 0.25 116.57 120.64 3hx2 h LYS 105 Ca -0.10 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 3hx2 h LYS 105 Cb 1.42 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 3hx2 h LYS 105 CO 0.12 0.62 0.10 -0.22 -0.57 0.00 0.00 179.45 179.50 3hx2 h LYS 106 N 0.85 0.55 0.00 3.15 3.64 -0.98 -0.86 116.57 122.93 3hx2 h LYS 106 Ca 0.22 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 3hx2 h LYS 106 Cb 0.01 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3hx2 h LYS 106 CO -0.04 0.58 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.32 3hx2 h LEU 107 N 0.42 0.00 -0.13 5.20 3.38 -0.78 -1.78 115.31 121.63 3hx2 h LEU 107 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3hx2 h LEU 107 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hx2 h LEU 107 CO -0.00 0.33 -0.07 -1.13 0.09 0.00 0.00 178.44 177.66 3hx2 h ASN 108 N 0.00 0.29 -0.27 -0.43 -1.24 0.04 -2.28 115.58 111.69 3hx2 h ASN 108 Ca -0.00 -0.43 0.03 0.00 0.71 0.00 0.00 56.30 56.60 3hx2 h ASN 108 Cb 0.65 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.59 3hx2 h ASN 108 CO 0.04 0.65 0.11 -0.61 -1.29 0.00 0.00 177.43 176.33 3hx2 h GLN 109 N -0.08 0.23 -0.28 6.67 5.75 -0.87 0.17 115.11 126.70 3hx2 h GLN 109 Ca 0.03 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.59 3hx2 h GLN 109 Cb 0.55 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 3hx2 h GLN 109 CO 0.02 0.15 0.20 0.00 -2.65 0.00 0.00 178.83 176.55 3hx2 h ALA 110 N 1.16 2.23 0.03 3.38 0.00 -1.31 0.49 119.26 125.24 3hx2 h ALA 110 Ca 0.12 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 3hx2 h ALA 110 Cb 0.07 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hx2 h ALA 110 CO -0.11 -0.31 -0.67 -0.07 0.00 0.00 0.00 179.25 178.09 3hx2 h LEU 111 N 0.02 0.54 -0.87 0.00 3.38 -0.43 -2.30 115.31 115.65 3hx2 h LEU 111 Ca 0.13 -0.80 -0.01 0.00 0.09 0.00 0.00 57.88 57.29 3hx2 h LEU 111 Cb 0.49 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3hx2 h LEU 111 CO -0.00 1.27 0.49 -0.07 0.09 0.00 0.00 178.44 180.22 3hx2 h LEU 112 N -0.13 1.07 0.63 1.67 3.38 0.66 -0.21 115.31 122.38 3hx2 h LEU 112 Ca -0.09 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3hx2 h LEU 112 Cb 1.40 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3hx2 h LEU 112 CO 0.13 0.85 -0.45 0.44 0.09 0.00 0.00 178.44 179.50 3hx2 h ASP 113 N 1.21 -1.17 -0.70 -0.43 3.45 -0.11 -0.62 116.42 118.05 3hx2 h ASP 113 Ca 0.31 0.07 0.20 0.00 0.43 0.00 0.00 57.03 58.04 3hx2 h ASP 113 Cb 0.00 0.36 -0.03 0.00 -0.56 0.00 0.00 39.33 39.10 3hx2 h ASP 113 CO -0.05 -0.66 0.50 0.25 -1.57 0.00 0.00 179.24 177.71 3hx2 h LEU 114 N -1.03 0.05 -0.07 1.55 5.85 -1.15 0.42 115.31 120.92 3hx2 h LEU 114 Ca -0.08 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3hx2 h LEU 114 Cb 0.85 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 3hx2 h LEU 114 CO 0.05 0.02 -0.03 -0.74 -0.34 0.00 0.00 178.44 177.39 3hx2 h HIS 115 N 0.05 0.18 -0.41 1.25 2.76 -0.20 -1.16 115.15 117.62 3hx2 h HIS 115 Ca 0.34 -0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.50 3hx2 h HIS 115 Cb 1.27 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 30.15 3hx2 h HIS 115 CO -0.00 0.52 0.18 0.00 -1.30 0.00 0.00 177.93 177.33 3hx2 h ALA 116 N 0.63 0.50 -0.83 5.26 0.00 0.52 0.11 119.26 125.45 3hx2 h ALA 116 Ca 0.02 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hx2 h ALA 116 Cb 0.47 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3hx2 h ALA 116 CO 0.01 -0.20 0.54 1.25 0.00 0.00 0.00 179.25 180.86 3hx2 h LEU 117 N 0.37 0.84 -0.71 0.00 5.85 -1.00 0.68 115.31 121.34 3hx2 h LEU 117 Ca 0.18 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.77 3hx2 h LEU 117 Cb 0.13 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3hx2 h LEU 117 CO -0.16 0.56 -0.48 1.23 -0.34 0.00 0.00 178.44 179.26 3hx2 h GLY 118 N 0.97 0.44 0.83 3.75 0.00 0.15 -1.99 103.07 107.21 3hx2 h GLY 118 Ca 0.35 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 3hx2 h GLY 118 CO -0.12 0.42 -0.01 1.76 0.00 0.00 0.00 176.54 178.60 3hx2 h SER 119 N 0.32 0.38 -0.23 0.19 0.02 0.58 0.16 113.55 114.98 3hx2 h SER 119 Ca 0.02 -0.32 0.05 0.00 -0.84 0.00 0.00 61.79 60.70 3hx2 h SER 119 Cb 0.96 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.35 3hx2 h SER 119 CO 0.08 0.60 -0.10 0.00 -1.14 0.00 0.00 176.83 176.27 3hx2 h ALA 120 N 0.79 0.08 -0.12 3.77 0.00 -0.82 -0.92 119.26 122.04 3hx2 h ALA 120 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hx2 h ALA 120 Cb 0.41 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hx2 h ALA 120 CO 0.01 -0.52 0.00 0.54 0.00 0.00 0.00 179.25 179.28 3hx2 n ARG 121 N -5.27 1.42 -3.83 0.00 5.12 -0.76 -4.91 116.66 108.43 3hx2 n ARG 121 Ca -0.01 -0.50 -0.37 0.00 -1.93 0.00 0.00 57.85 55.04 3hx2 n ARG 121 Cb 0.18 -1.27 0.03 0.00 -1.16 0.00 0.00 32.46 30.25 3hx2 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx2 n THR 122 N -0.05 -4.65 -3.81 0.55 -2.24 -0.35 -4.93 114.28 98.80 3hx2 n THR 122 Ca 0.05 -0.82 -0.34 0.00 -2.27 0.00 0.00 64.05 60.66 3hx2 n THR 122 Cb 0.21 -3.56 -0.11 0.00 -2.10 0.00 0.00 70.33 64.76 3hx2 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx2 s ASP 123 N -3.54 4.95 0.28 3.42 -1.08 0.53 -4.95 116.67 116.28 3hx2 s ASP 123 Ca 0.46 -2.77 0.01 0.00 -0.52 0.00 0.00 52.55 49.73 3hx2 s ASP 123 Cb -0.20 -1.78 0.40 0.00 -1.46 0.00 0.00 42.92 39.89 3hx2 s ASP 123 CO 0.90 -0.35 1.75 1.55 0.52 0.00 0.00 175.17 179.55 3hx2 h PRO 124 N 7.03 0.61 0.05 4.34 0.13 -1.93 -2.51 132.00 139.71 3hx2 h PRO 124 Ca -0.05 -0.19 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3hx2 h PRO 124 Cb 0.95 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3hx2 h PRO 124 CO 0.69 0.72 -0.02 1.25 -0.23 0.00 0.00 178.00 180.41 3hx2 h HIS 125 N 0.56 -0.06 -0.65 1.56 -0.00 -1.97 0.19 115.15 114.78 3hx2 h HIS 125 Ca 0.10 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.49 3hx2 h HIS 125 Cb 0.54 0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.94 3hx2 h HIS 125 CO 0.02 0.14 0.43 1.25 -0.00 0.00 0.00 177.93 179.77 3hx2 h LEU 126 N -0.25 0.70 -0.34 0.26 5.85 -1.94 0.12 115.31 119.71 3hx2 h LEU 126 Ca -0.01 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 3hx2 h LEU 126 Cb 0.22 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3hx2 h LEU 126 CO 0.01 0.49 -0.40 0.00 -0.34 0.00 0.00 178.44 178.20 3hx2 h ASP 128 N 0.68 -0.27 -0.68 0.00 3.58 0.12 -1.25 116.42 118.58 3hx2 h ASP 128 Ca 0.05 -0.06 0.15 0.00 0.42 0.00 0.00 57.03 57.59 3hx2 h ASP 128 Cb 1.00 0.07 -0.12 0.00 1.72 0.00 0.00 39.33 42.00 3hx2 h ASP 128 CO 0.10 -0.11 0.01 0.15 -2.88 0.00 0.00 179.24 176.50 3hx2 h PHE 129 N -0.42 -0.04 -0.34 0.28 3.04 -0.78 0.47 116.94 119.15 3hx2 h PHE 129 Ca -0.03 0.05 -0.15 0.00 3.98 0.00 0.00 57.97 61.82 3hx2 h PHE 129 Cb 0.32 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 3hx2 h PHE 129 CO -0.03 -0.20 -0.38 -0.07 -2.02 0.00 0.00 178.31 175.61 3hx2 h LEU 130 N 0.12 0.86 -0.07 0.59 3.38 -1.32 -2.19 115.31 116.67 3hx2 h LEU 130 Ca 0.37 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hx2 h LEU 130 Cb 0.62 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3hx2 h LEU 130 CO -0.59 1.14 0.04 -0.33 0.09 0.00 0.00 178.44 178.79 3hx2 h GLU 131 N 0.67 0.08 0.23 1.13 5.08 0.07 0.98 114.58 122.83 3hx2 h GLU 131 Ca 0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3hx2 h GLU 131 Cb 0.94 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3hx2 h GLU 131 CO 0.09 0.06 -0.11 1.15 -1.00 0.00 0.00 179.01 179.19 3hx2 h THR 132 N 0.09 0.00 -0.10 1.13 2.02 -0.96 -3.35 112.91 111.74 3hx2 h THR 132 Ca 0.03 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3hx2 h THR 132 Cb -0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3hx2 h THR 132 CO -0.01 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.29 3hx2 n HIS 133 N -3.13 0.11 0.00 3.16 8.25 -0.83 -4.69 115.22 118.09 3hx2 n HIS 133 Ca -0.04 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3hx2 n HIS 133 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 3hx2 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx2 n PHE 134 N 0.59 0.00 0.29 4.41 3.72 -0.73 -4.79 117.46 120.94 3hx2 n PHE 134 Ca 0.17 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.41 3hx2 n PHE 134 Cb 0.42 0.11 -0.08 0.00 -0.94 0.00 0.00 39.48 38.99 3hx2 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx2 h LEU 135 N 0.00 -0.78 -0.45 4.37 3.38 -0.96 -2.55 115.31 118.32 3hx2 h LEU 135 Ca 0.00 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hx2 h LEU 135 Cb 0.46 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3hx2 h LEU 135 CO 0.00 -0.48 0.27 -0.78 0.09 0.00 0.00 178.44 177.54 3hx2 h ASP 136 N -0.77 0.53 -0.79 -0.43 -0.00 -1.84 -2.54 116.42 110.60 3hx2 h ASP 136 Ca -0.06 -0.05 0.11 0.00 -0.00 0.00 0.00 57.03 57.04 3hx2 h ASP 136 Cb 0.63 -0.13 -0.08 0.00 -0.00 0.00 0.00 39.33 39.74 3hx2 h ASP 136 CO 0.05 0.42 0.41 -0.33 -0.00 0.00 0.00 179.24 179.79 3hx2 h GLU 137 N 0.60 0.63 -0.33 0.28 4.39 -1.86 -2.05 114.58 116.24 3hx2 h GLU 137 Ca 0.16 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 3hx2 h GLU 137 Cb -0.02 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 3hx2 h GLU 137 CO -0.03 0.42 0.14 0.93 -1.16 0.00 0.00 179.01 179.31 3hx2 h GLU 138 N 0.65 0.48 -0.19 2.33 4.39 -1.05 -0.42 114.58 120.77 3hx2 h GLU 138 Ca 0.40 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 60.05 3hx2 h GLU 138 Cb 0.47 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3hx2 h GLU 138 CO -0.30 0.46 0.05 0.28 -1.16 0.00 0.00 179.01 178.34 3hx2 h VAL 139 N 0.38 0.93 0.18 3.13 2.07 -1.08 0.74 116.25 122.61 3hx2 h VAL 139 Ca 0.11 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 3hx2 h VAL 139 Cb 0.15 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3hx2 h VAL 139 CO -0.01 0.02 -0.14 0.11 0.02 0.00 0.00 177.57 177.57 3hx2 h LYS 140 N 0.13 -0.32 -0.99 1.57 1.57 -1.30 0.15 116.57 117.38 3hx2 h LYS 140 Ca 0.08 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.99 3hx2 h LYS 140 Cb 0.07 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.37 3hx2 h LYS 140 CO -0.10 -0.21 0.62 1.25 -0.57 0.00 0.00 179.45 180.44 3hx2 h LEU 141 N -0.33 0.94 -0.17 2.94 5.85 -0.77 0.13 115.31 123.89 3hx2 h LEU 141 Ca -0.01 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 3hx2 h LEU 141 Cb 0.29 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3hx2 h LEU 141 CO -0.01 0.52 -0.16 0.40 -0.34 0.00 0.00 178.44 178.85 3hx2 h ILE 142 N 1.02 1.34 -0.94 4.05 2.04 -0.32 -1.83 117.51 122.87 3hx2 h ILE 142 Ca 0.48 -1.32 0.01 0.00 1.00 0.00 0.00 64.86 65.03 3hx2 h ILE 142 Cb 0.41 1.82 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 3hx2 h ILE 142 CO -0.24 0.39 0.62 0.50 0.00 0.00 0.00 178.15 179.42 3hx2 h LYS 143 N 0.06 1.24 0.15 2.37 1.63 0.02 0.14 116.57 122.19 3hx2 h LYS 143 Ca 0.03 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 3hx2 h LYS 143 Cb 0.70 -0.28 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 3hx2 h LYS 143 CO 0.04 0.82 -0.08 -0.22 -3.45 0.00 0.00 179.45 176.57 3hx2 h LYS 144 N 1.28 -0.20 -0.24 1.90 3.64 -0.66 0.20 116.57 122.48 3hx2 h LYS 144 Ca 0.34 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.69 3hx2 h LYS 144 Cb -0.15 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3hx2 h LYS 144 CO -0.07 -0.13 -0.05 0.52 -2.27 0.00 0.00 179.45 177.44 3hx2 h MET 145 N -0.21 0.37 -0.31 1.90 2.86 -0.80 -0.49 114.93 118.25 3hx2 h MET 145 Ca -0.02 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3hx2 h MET 145 Cb 0.16 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3hx2 h MET 145 CO 0.03 0.44 0.18 0.78 1.06 0.00 0.00 176.91 179.40 3hx2 h GLY 146 N 0.75 0.45 0.76 8.32 0.00 -0.03 -0.57 103.07 112.76 3hx2 h GLY 146 Ca 0.08 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.24 3hx2 h GLY 146 CO 0.01 0.19 0.04 -0.55 0.00 0.00 0.00 176.54 176.23 3hx2 h ASP 147 N 0.39 0.02 -0.66 0.19 3.32 -0.10 -1.40 116.42 118.19 3hx2 h ASP 147 Ca 0.11 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.24 3hx2 h ASP 147 Cb 0.02 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 3hx2 h ASP 147 CO -0.02 0.04 0.38 0.45 -1.72 0.00 0.00 179.24 178.37 3hx2 h HIS 148 N 0.13 0.71 -0.73 4.55 3.86 -0.81 -1.82 115.15 121.04 3hx2 h HIS 148 Ca 0.10 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 3hx2 h HIS 148 Cb 0.09 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 3hx2 h HIS 148 CO -0.14 0.37 0.30 -0.07 0.86 0.00 0.00 177.93 179.25 3hx2 h LEU 149 N 0.73 0.99 -0.76 2.43 3.38 -0.62 -0.17 115.31 121.30 3hx2 h LEU 149 Ca 0.28 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3hx2 h LEU 149 Cb 0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3hx2 h LEU 149 CO -0.15 0.89 0.31 0.74 0.09 0.00 0.00 178.44 180.32 3hx2 h THR 150 N 1.04 1.25 -0.22 0.22 2.02 -0.76 -0.87 112.91 115.61 3hx2 h THR 150 Ca 0.24 -0.79 -0.15 0.00 0.77 0.00 0.00 66.41 66.49 3hx2 h THR 150 Cb 0.19 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3hx2 h THR 150 CO -0.02 0.32 -0.43 0.78 0.37 0.00 0.00 175.52 176.54 3hx2 h ASN 151 N 1.09 0.75 -0.73 4.18 2.35 -1.12 -2.00 115.58 120.10 3hx2 h ASN 151 Ca 0.25 -0.55 -0.01 0.00 -0.55 0.00 0.00 56.30 55.45 3hx2 h ASN 151 Cb 0.20 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3hx2 h ASN 151 CO -0.02 1.16 0.42 -0.07 -1.65 0.00 0.00 177.43 177.27 3hx2 h LEU 152 N 0.38 0.89 -0.96 1.61 3.38 -0.85 -0.99 115.31 118.77 3hx2 h LEU 152 Ca 0.01 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3hx2 h LEU 152 Cb 1.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3hx2 h LEU 152 CO 0.10 0.71 -0.14 -0.74 0.09 0.00 0.00 178.44 178.46 3hx2 h HIS 153 N 1.00 0.65 0.00 1.13 2.76 -1.16 -2.47 115.15 117.06 3hx2 h HIS 153 Ca 0.26 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 3hx2 h HIS 153 Cb -0.00 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 28.79 3hx2 h HIS 153 CO -0.01 0.71 -0.16 -0.09 -1.30 0.00 0.00 177.93 177.08 3hx2 h ARG 154 N 0.54 0.00 -3.33 5.26 2.43 -0.49 -3.35 114.38 115.44 3hx2 h ARG 154 Ca 0.09 0.00 -0.70 0.00 -0.81 0.00 0.00 59.98 58.57 3hx2 h ARG 154 Cb 0.56 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3hx2 h ARG 154 CO 0.04 0.16 3.36 1.28 -1.51 0.00 0.00 179.97 183.30 3hx2 n LEU 155 N -3.47 7.93 0.00 3.80 4.77 -0.48 -3.91 117.00 125.64 3hx2 n LEU 155 Ca -0.01 -4.36 0.00 0.00 -0.03 0.00 0.00 56.01 51.61 3hx2 n LEU 155 Cb 0.32 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 39.84 3hx2 n LEU 155 CO 0.31 1.71 0.00 0.61 -1.33 0.00 0.00 177.39 178.69 3hx2 n GLY 156 N 3.52 -0.21 0.00 -0.72 0.00 -1.26 -5.03 105.19 101.50 3hx2 n GLY 156 Ca 0.66 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.70 3hx2 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx2 n GLY 157 N 0.71 1.00 0.13 -0.02 0.00 -1.25 -4.97 105.19 100.78 3hx2 n GLY 157 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3hx2 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx2 h PRO 158 N 0.00 -0.15 -1.05 1.61 0.13 -2.01 -3.18 132.00 127.35 3hx2 h PRO 158 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3hx2 h PRO 158 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 3hx2 h PRO 158 CO 0.00 -0.10 0.00 0.39 -0.23 0.00 0.00 178.00 178.06 3hx2 n GLU 159 N -5.20 0.55 0.00 0.86 1.02 -1.26 -4.43 120.64 112.18 3hx2 n GLU 159 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3hx2 n GLU 159 Cb 0.13 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 3hx2 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hx2 n ALA 160 N 0.50 1.34 -3.54 0.62 0.00 -1.21 -4.32 120.51 113.91 3hx2 n ALA 160 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3hx2 n ALA 160 Cb 0.21 -0.93 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 3hx2 n ALA 160 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hx2 s GLY 161 N -1.75 1.99 0.00 0.00 0.00 -1.26 -4.99 107.32 101.31 3hx2 s GLY 161 Ca 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 44.72 42.34 3hx2 s GLY 161 CO 0.00 1.02 0.00 1.04 0.00 0.00 0.00 173.10 175.16 3hx2 n LEU 162 N 4.80 0.00 -4.56 0.66 4.77 -1.26 -4.80 117.00 116.62 3hx2 n LEU 162 Ca -0.07 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.60 3hx2 n LEU 162 Cb 0.42 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 3hx2 n LEU 162 CO 0.38 0.00 1.45 -0.83 -1.33 0.00 0.00 177.39 177.06 3hx2 s GLY 163 N 0.00 0.14 0.02 -0.72 0.00 -1.26 -4.90 107.32 100.60 3hx2 s GLY 163 Ca 0.00 -1.15 -0.20 0.00 0.00 0.00 0.00 44.72 43.38 3hx2 s GLY 163 CO 0.00 3.50 1.11 0.83 0.00 0.00 0.00 173.10 178.53 3hx2 h GLU 164 N 12.84 -0.69 -0.01 2.90 5.08 -2.04 -3.57 114.58 129.08 3hx2 h GLU 164 Ca -0.04 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hx2 h GLU 164 Cb 1.07 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3hx2 h GLU 164 CO 1.21 -0.46 0.00 0.66 -1.00 0.00 0.00 179.01 179.42