#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx5 s MET 1 N 0.00 3.34 -0.06 5.56 -1.94 -1.26 -5.05 119.30 119.88 3hx5 s MET 1 Ca 0.00 -0.01 -0.26 0.00 -1.71 0.00 0.00 55.69 53.71 3hx5 s MET 1 Cb 0.00 -2.42 -0.03 0.00 2.01 0.00 0.00 34.83 34.39 3hx5 s MET 1 CO 0.00 -0.27 0.83 0.45 -0.01 0.00 0.00 175.02 176.02 3hx5 s SER 2 N -4.15 7.12 0.42 3.03 0.15 -1.26 -5.00 113.70 114.01 3hx5 s SER 2 Ca 0.48 1.36 -0.23 0.00 0.70 0.00 0.00 55.95 58.26 3hx5 s SER 2 Cb -0.10 -2.48 -0.12 0.00 -1.71 0.00 0.00 66.02 61.61 3hx5 s SER 2 CO 0.43 -0.23 0.64 -0.24 1.20 0.00 0.00 173.24 175.04 3hx5 n SER 3 N 4.13 -0.48 -0.34 5.45 2.88 -1.26 -4.87 113.62 119.13 3hx5 n SER 3 Ca 0.03 0.93 0.14 0.00 -1.33 0.00 0.00 58.87 58.64 3hx5 n SER 3 Cb 0.51 -1.16 0.35 0.00 -0.75 0.00 0.00 64.21 63.16 3hx5 n SER 3 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3hx5 h GLN 4 N 0.92 0.69 0.07 -1.46 4.15 -1.94 -2.80 115.11 114.75 3hx5 h GLN 4 Ca -0.41 -0.04 -0.30 0.00 0.77 0.00 0.00 58.65 58.66 3hx5 h GLN 4 Cb 1.39 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 3hx5 h GLN 4 CO 0.52 0.46 -1.62 -0.84 -1.93 0.00 0.00 178.83 175.42 3hx5 h ILE 5 N 0.71 1.02 -0.69 2.39 3.07 -1.91 -3.49 117.51 118.61 3hx5 h ILE 5 Ca 0.56 -2.74 -0.53 0.00 1.55 0.00 0.00 64.86 63.70 3hx5 h ILE 5 Cb 0.93 2.62 0.04 0.00 -0.27 0.00 0.00 36.82 40.15 3hx5 h ILE 5 CO -0.34 0.75 -0.06 -1.14 -1.05 0.00 0.00 178.15 176.31 3hx5 n ARG 6 N -3.33 0.00 -3.57 0.16 0.63 -1.06 -4.96 116.66 104.54 3hx5 n ARG 6 Ca -0.18 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.73 3hx5 n ARG 6 Cb 1.04 -0.96 -0.05 0.00 0.45 0.00 0.00 32.46 32.94 3hx5 n ARG 6 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3hx5 s GLN 7 N -0.16 0.46 -1.39 -0.14 0.74 -1.26 -4.94 119.66 112.96 3hx5 s GLN 7 Ca 0.59 0.96 0.00 0.00 0.05 0.00 0.00 55.36 56.96 3hx5 s GLN 7 Cb -0.82 0.37 0.00 0.00 1.10 0.00 0.00 33.01 33.66 3hx5 s GLN 7 CO 0.39 -0.13 0.00 -1.71 -0.55 0.00 0.00 175.29 173.30 3hx5 n ASN 8 N 4.58 -4.68 -4.13 6.67 5.15 -1.26 -4.93 115.26 116.66 3hx5 n ASN 8 Ca -0.15 0.14 -0.37 0.00 -0.60 0.00 0.00 54.58 53.60 3hx5 n ASN 8 Cb 0.54 -3.97 -0.10 0.00 -0.53 0.00 0.00 39.78 35.73 3hx5 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx5 s TYR 9 N -2.75 3.50 0.57 1.20 5.04 -1.26 -4.81 117.35 118.85 3hx5 s TYR 9 Ca 0.00 -2.46 -0.20 0.00 -2.44 0.00 0.00 57.07 51.96 3hx5 s TYR 9 Cb 0.00 -3.26 -0.04 0.00 0.35 0.00 0.00 41.96 39.01 3hx5 s TYR 9 CO 0.00 -0.92 1.30 -1.54 -1.34 0.00 0.00 175.55 173.05 3hx5 s SER 10 N 1.49 5.16 0.51 4.32 1.04 -1.26 -4.90 113.70 120.06 3hx5 s SER 10 Ca 0.12 2.64 0.30 0.00 0.48 0.00 0.00 55.95 59.48 3hx5 s SER 10 Cb -0.22 -2.62 1.13 0.00 0.10 0.00 0.00 66.02 64.41 3hx5 s SER 10 CO -0.04 -1.63 1.90 0.71 0.98 0.00 0.00 173.24 175.16 3hx5 h THR 11 N 1.17 0.14 -0.24 2.02 1.35 -1.98 -2.13 112.91 113.24 3hx5 h THR 11 Ca -0.51 -0.73 -0.04 0.00 -0.55 0.00 0.00 66.41 64.58 3hx5 h THR 11 Cb 1.31 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 69.35 3hx5 h THR 11 CO 0.56 0.06 -0.01 -0.78 -0.25 0.00 0.00 175.52 175.10 3hx5 h ASP 12 N 0.00 0.42 0.16 5.36 3.58 -1.99 -1.85 116.42 122.09 3hx5 h ASP 12 Ca -0.00 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.13 3hx5 h ASP 12 Cb 0.63 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.57 3hx5 h ASP 12 CO 0.01 0.63 -0.08 0.58 -2.88 0.00 0.00 179.24 177.50 3hx5 h VAL 13 N 0.19 0.96 -0.88 2.25 2.07 -1.89 -2.15 116.25 116.80 3hx5 h VAL 13 Ca 0.07 -0.61 0.23 0.00 0.82 0.00 0.00 66.70 67.21 3hx5 h VAL 13 Cb 0.42 1.32 -0.14 0.00 -1.52 0.00 0.00 31.29 31.38 3hx5 h VAL 13 CO 0.01 0.14 0.30 -0.08 0.02 0.00 0.00 177.57 177.96 3hx5 h GLU 14 N -0.52 0.26 -0.11 1.57 4.81 -1.35 0.31 114.58 119.55 3hx5 h GLU 14 Ca -0.02 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 3hx5 h GLU 14 Cb 0.40 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3hx5 h GLU 14 CO 0.04 0.17 -0.62 0.00 -0.73 0.00 0.00 179.01 177.87 3hx5 h ALA 15 N 1.76 0.72 -0.33 2.92 0.00 -1.25 -2.32 119.26 120.75 3hx5 h ALA 15 Ca 0.56 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3hx5 h ALA 15 Cb 1.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3hx5 h ALA 15 CO -0.61 0.72 -0.19 0.00 0.00 0.00 0.00 179.25 179.17 3hx5 h ALA 16 N 1.04 1.06 0.14 0.00 0.00 0.14 -1.19 119.26 120.45 3hx5 h ALA 16 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3hx5 h ALA 16 Cb 1.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3hx5 h ALA 16 CO 0.11 0.57 -0.07 0.28 0.00 0.00 0.00 179.25 180.14 3hx5 h VAL 17 N 0.54 0.94 -0.20 0.00 2.07 -0.52 0.19 116.25 119.27 3hx5 h VAL 17 Ca 0.09 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3hx5 h VAL 17 Cb 0.63 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3hx5 h VAL 17 CO 0.04 0.08 0.13 0.78 0.02 0.00 0.00 177.57 178.62 3hx5 h ASN 18 N -0.34 0.22 0.50 0.57 4.21 -1.29 0.21 115.58 119.67 3hx5 h ASN 18 Ca -0.02 -0.01 -0.22 0.00 1.21 0.00 0.00 56.30 57.26 3hx5 h ASN 18 Cb 0.27 -0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 37.41 3hx5 h ASN 18 CO 0.03 0.16 -0.98 -1.28 -1.29 0.00 0.00 177.43 174.08 3hx5 h SER 19 N 0.26 0.39 -0.38 5.81 0.87 -0.82 -2.76 113.55 116.92 3hx5 h SER 19 Ca 0.07 -0.34 -0.15 0.00 -1.23 0.00 0.00 61.79 60.15 3hx5 h SER 19 Cb -0.02 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 3hx5 h SER 19 CO -0.02 1.16 -0.35 0.25 -0.53 0.00 0.00 176.83 177.34 3hx5 h LEU 20 N 0.15 0.97 -0.44 2.23 5.85 0.43 -2.19 115.31 122.31 3hx5 h LEU 20 Ca -0.07 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.26 3hx5 h LEU 20 Cb 1.63 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 42.33 3hx5 h LEU 20 CO 0.16 1.23 0.08 0.58 -0.34 0.00 0.00 178.44 180.15 3hx5 h VAL 21 N 0.73 0.75 -0.89 1.05 2.07 -0.61 -0.28 116.25 119.07 3hx5 h VAL 21 Ca 0.06 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3hx5 h VAL 21 Cb 0.94 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3hx5 h VAL 21 CO 0.09 0.04 0.54 -1.13 0.02 0.00 0.00 177.57 177.12 3hx5 h ASN 22 N 0.21 1.06 -0.21 0.57 -0.73 -1.25 -0.48 115.58 114.75 3hx5 h ASN 22 Ca 0.22 -0.06 -0.06 0.00 1.87 0.00 0.00 56.30 58.27 3hx5 h ASN 22 Cb 0.28 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 3hx5 h ASN 22 CO -0.29 0.81 -0.04 0.25 -0.37 0.00 0.00 177.43 177.79 3hx5 h LEU 23 N 1.22 0.50 -0.09 0.34 5.85 -0.58 -0.67 115.31 121.88 3hx5 h LEU 23 Ca 0.32 -0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 3hx5 h LEU 23 Cb -0.06 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 40.85 3hx5 h LEU 23 CO -0.06 0.60 -0.47 1.88 -0.34 0.00 0.00 178.44 180.05 3hx5 h TYR 24 N 0.50 0.65 -0.65 1.25 -1.99 -0.30 -1.60 116.97 114.84 3hx5 h TYR 24 Ca 0.10 -0.29 0.07 0.00 2.00 0.00 0.00 58.73 60.61 3hx5 h TYR 24 Cb 0.39 -0.10 -0.04 0.00 2.00 0.00 0.00 36.73 38.98 3hx5 h TYR 24 CO 0.01 1.06 0.43 -0.07 -0.00 0.00 0.00 178.16 179.59 3hx5 h LEU 25 N 0.06 0.55 -0.28 3.88 3.38 -0.78 0.23 115.31 122.34 3hx5 h LEU 25 Ca -0.03 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 3hx5 h LEU 25 Cb 1.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3hx5 h LEU 25 CO 0.10 0.35 -0.79 -0.61 0.09 0.00 0.00 178.44 177.58 3hx5 h GLN 26 N 0.62 0.53 -0.16 1.13 4.15 -1.04 -2.18 115.11 118.15 3hx5 h GLN 26 Ca 0.28 -0.46 -0.04 0.00 0.77 0.00 0.00 58.65 59.21 3hx5 h GLN 26 Cb 0.31 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 3hx5 h GLN 26 CO -0.09 1.09 -0.04 0.00 -1.93 0.00 0.00 178.83 177.86 3hx5 h ALA 27 N 0.78 0.22 -0.76 3.38 0.00 -0.19 -0.94 119.26 121.76 3hx5 h ALA 27 Ca -0.05 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 54.76 3hx5 h ALA 27 Cb 1.39 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 3hx5 h ALA 27 CO 0.14 -0.01 0.31 1.03 0.00 0.00 0.00 179.25 180.73 3hx5 h SER 28 N 0.02 0.31 -0.41 0.00 0.87 -0.59 0.14 113.55 113.88 3hx5 h SER 28 Ca 0.04 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 3hx5 h SER 28 Cb 0.48 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 3hx5 h SER 28 CO 0.02 0.12 0.09 0.22 -0.53 0.00 0.00 176.83 176.75 3hx5 h TYR 29 N 0.46 0.70 -0.79 2.24 5.03 -1.20 0.01 116.97 123.42 3hx5 h TYR 29 Ca 0.41 -0.09 0.02 0.00 2.58 0.00 0.00 58.73 61.66 3hx5 h TYR 29 Cb 0.61 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.65 3hx5 h TYR 29 CO -0.16 0.67 0.51 1.15 -1.32 0.00 0.00 178.16 179.01 3hx5 h THR 30 N 0.53 1.16 -0.30 1.81 2.02 0.39 -1.40 112.91 117.12 3hx5 h THR 30 Ca 0.13 -0.35 -0.07 0.00 0.77 0.00 0.00 66.41 66.89 3hx5 h THR 30 Cb 0.32 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3hx5 h THR 30 CO 0.00 0.19 -0.08 1.88 0.37 0.00 0.00 175.52 177.88 3hx5 h TYR 31 N 1.03 0.66 -0.63 3.16 0.05 -0.58 -1.66 116.97 119.00 3hx5 h TYR 31 Ca 0.30 -0.15 0.12 0.00 0.05 0.00 0.00 58.73 59.05 3hx5 h TYR 31 Cb -0.06 -0.16 -0.09 0.00 1.01 0.00 0.00 36.73 37.43 3hx5 h TYR 31 CO -0.02 0.78 0.15 1.25 -1.05 0.00 0.00 178.16 179.27 3hx5 h LEU 32 N 0.35 0.04 -0.55 3.88 5.85 -0.52 0.36 115.31 124.72 3hx5 h LEU 32 Ca 0.08 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3hx5 h LEU 32 Cb 0.57 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3hx5 h LEU 32 CO 0.03 0.02 0.25 -1.28 -0.34 0.00 0.00 178.44 177.12 3hx5 h SER 33 N 0.28 0.73 -0.59 1.25 0.87 -1.09 -2.67 113.55 112.33 3hx5 h SER 33 Ca 0.33 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3hx5 h SER 33 Cb 0.50 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 3hx5 h SER 33 CO -0.41 0.67 0.38 -0.07 -0.53 0.00 0.00 176.83 176.88 3hx5 h LEU 34 N 0.75 0.65 0.02 2.23 3.38 0.07 -1.64 115.31 120.76 3hx5 h LEU 34 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hx5 h LEU 34 Cb 0.14 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hx5 h LEU 34 CO -0.02 0.47 -0.05 1.23 0.09 0.00 0.00 178.44 180.16 3hx5 h GLY 35 N 0.77 -1.07 1.47 0.83 0.00 -0.07 -2.64 103.07 102.37 3hx5 h GLY 35 Ca 0.23 0.47 0.05 0.00 0.00 0.00 0.00 47.33 48.08 3hx5 h GLY 35 CO -0.07 -0.39 0.21 0.74 0.00 0.00 0.00 176.54 177.03 3hx5 h PHE 36 N -0.08 0.00 -0.72 5.60 -1.00 -1.47 -0.95 116.94 118.31 3hx5 h PHE 36 Ca -0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 3hx5 h PHE 36 Cb 0.07 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.60 3hx5 h PHE 36 CO -0.24 0.00 0.33 -0.92 -1.61 0.00 0.00 178.31 175.87 3hx5 h TYR 37 N 0.00 1.05 0.00 -0.55 3.20 -0.93 -2.12 116.97 117.62 3hx5 h TYR 37 Ca 0.09 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3hx5 h TYR 37 Cb 0.51 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 3hx5 h TYR 37 CO 0.00 0.78 -0.00 0.74 -1.64 0.00 0.00 178.16 178.03 3hx5 h PHE 38 N 1.03 0.00 0.00 -3.82 0.04 -1.04 -3.07 116.94 110.09 3hx5 h PHE 38 Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 3hx5 h PHE 38 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 3hx5 h PHE 38 CO 0.01 0.00 0.00 -3.47 -0.60 0.00 0.00 178.31 174.25 3hx5 n ASP 39 N -3.10 0.00 -4.76 2.17 4.64 -0.81 -2.20 116.55 112.49 3hx5 n ASP 39 Ca 0.04 -0.34 -0.41 0.00 -1.38 0.00 0.00 54.79 52.70 3hx5 n ASP 39 Cb 0.52 -0.19 -0.03 0.00 -1.04 0.00 0.00 41.12 40.39 3hx5 n ASP 39 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3hx5 s ARG 40 N -2.38 4.41 0.59 -0.67 0.52 -1.12 -4.76 118.95 115.55 3hx5 s ARG 40 Ca 0.30 2.13 0.30 0.00 -0.52 0.00 0.00 55.73 57.94 3hx5 s ARG 40 Cb 0.18 -3.11 1.79 0.00 0.52 0.00 0.00 34.95 34.33 3hx5 s ARG 40 CO 0.37 -0.14 2.20 0.38 0.02 0.00 0.00 175.30 178.13 3hx5 h ASP 41 N 3.78 0.00 -0.08 0.23 2.03 -1.91 0.66 116.42 121.13 3hx5 h ASP 41 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 3hx5 h ASP 41 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3hx5 h ASP 41 CO 0.68 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.99 3hx5 n ASP 42 N -3.79 1.66 0.01 4.15 3.85 -1.26 -4.20 116.55 116.97 3hx5 n ASP 42 Ca -0.01 -1.60 -0.03 0.00 -0.71 0.00 0.00 54.79 52.43 3hx5 n ASP 42 Cb 0.17 -0.04 -0.01 0.00 -1.35 0.00 0.00 41.12 39.89 3hx5 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx5 n VAL 43 N 0.30 0.83 -3.60 2.12 0.31 0.06 -5.10 118.33 113.25 3hx5 n VAL 43 Ca 0.18 0.18 -0.25 0.00 -0.01 0.00 0.00 64.34 64.44 3hx5 n VAL 43 Cb 0.36 -1.65 0.01 0.00 -0.91 0.00 0.00 33.84 31.65 3hx5 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx5 n ALA 44 N -3.46 -2.67 -3.37 3.52 0.00 0.21 -4.99 120.51 109.75 3hx5 n ALA 44 Ca -0.05 -0.03 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 3hx5 n ALA 44 Cb 0.29 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 3hx5 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hx5 n LEU 45 N -1.86 -0.31 -0.09 0.00 4.77 -0.93 -4.99 117.00 113.58 3hx5 n LEU 45 Ca -0.21 -4.44 0.15 0.00 -0.03 0.00 0.00 56.01 51.48 3hx5 n LEU 45 Cb 0.66 0.53 0.54 0.00 -2.33 0.00 0.00 43.42 42.83 3hx5 n LEU 45 CO 0.60 1.89 1.19 -0.08 -1.33 0.00 0.00 177.39 179.67 3hx5 h GLU 46 N 5.37 0.32 0.53 3.23 4.81 -1.94 -0.76 114.58 126.14 3hx5 h GLU 46 Ca 0.24 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 3hx5 h GLU 46 Cb 0.90 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3hx5 h GLU 46 CO 0.39 0.21 -0.27 0.78 -0.73 0.00 0.00 179.01 179.40 3hx5 h GLY 47 N 0.33 -0.76 0.98 1.92 0.00 -1.96 -0.29 103.07 103.28 3hx5 h GLY 47 Ca 0.30 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.91 3hx5 h GLY 47 CO -0.08 -0.28 0.27 -2.08 0.00 0.00 0.00 176.54 174.38 3hx5 h VAL 48 N -0.73 1.18 -0.02 4.60 2.07 -1.86 -1.82 116.25 119.68 3hx5 h VAL 48 Ca -0.07 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 66.99 3hx5 h VAL 48 Cb 0.57 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 3hx5 h VAL 48 CO 0.11 0.20 -0.29 -1.28 0.02 0.00 0.00 177.57 176.33 3hx5 h SER 49 N 0.69 -0.87 -0.87 0.57 0.87 -1.02 -1.51 113.55 111.41 3hx5 h SER 49 Ca 0.18 0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.93 3hx5 h SER 49 Cb 0.08 0.36 -0.06 0.00 -0.44 0.00 0.00 62.40 62.34 3hx5 h SER 49 CO -0.03 -0.35 0.57 -0.74 -0.53 0.00 0.00 176.83 175.75 3hx5 h HIS 50 N -0.43 0.99 0.18 2.24 6.17 -0.86 -0.02 115.15 123.43 3hx5 h HIS 50 Ca 0.07 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.18 3hx5 h HIS 50 Cb 0.52 -0.33 -0.02 0.00 2.52 0.00 0.00 27.41 30.11 3hx5 h HIS 50 CO -0.33 0.52 -0.20 0.35 0.71 0.00 0.00 177.93 178.97 3hx5 h PHE 51 N 0.98 -0.53 -0.26 5.26 3.57 -0.43 -0.94 116.94 124.58 3hx5 h PHE 51 Ca 0.38 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.77 3hx5 h PHE 51 Cb 0.22 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3hx5 h PHE 51 CO -0.00 -0.30 -0.30 0.74 -2.23 0.00 0.00 178.31 176.22 3hx5 h PHE 52 N -0.43 0.60 0.00 0.41 0.05 -0.87 -2.40 116.94 114.31 3hx5 h PHE 52 Ca 0.01 -0.14 -0.03 0.00 3.82 0.00 0.00 57.97 61.62 3hx5 h PHE 52 Cb 0.41 -0.14 -0.00 0.00 2.00 0.00 0.00 35.95 38.21 3hx5 h PHE 52 CO -0.16 0.77 -0.16 0.00 -0.18 0.00 0.00 178.31 178.58 3hx5 h ARG 53 N 0.45 0.00 0.02 1.51 3.08 -0.71 -1.00 114.38 117.74 3hx5 h ARG 53 Ca 0.06 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 3hx5 h ARG 53 Cb 0.75 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.81 3hx5 h ARG 53 CO 0.06 0.16 -0.50 0.93 -1.07 0.00 0.00 179.97 179.55 3hx5 h GLU 54 N 0.00 0.30 -0.87 0.04 4.39 -0.81 -3.05 114.58 114.59 3hx5 h GLU 54 Ca -0.00 -0.35 0.07 0.00 0.34 0.00 0.00 59.36 59.42 3hx5 h GLU 54 Cb 0.43 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.13 3hx5 h GLU 54 CO 0.02 1.06 0.53 -0.07 -1.16 0.00 0.00 179.01 179.40 3hx5 h LEU 55 N -0.31 0.82 -0.48 1.33 3.38 -0.97 -0.34 115.31 118.74 3hx5 h LEU 55 Ca -0.07 0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.98 3hx5 h LEU 55 Cb 1.26 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 3hx5 h LEU 55 CO 0.10 0.51 0.20 0.00 0.09 0.00 0.00 178.44 179.34 3hx5 h ALA 56 N 1.43 0.60 0.00 1.53 0.00 -1.24 0.24 119.26 121.82 3hx5 h ALA 56 Ca 0.39 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.29 3hx5 h ALA 56 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hx5 h ALA 56 CO -0.19 -0.17 -0.27 1.49 0.00 0.00 0.00 179.25 180.11 3hx5 h GLU 57 N 0.40 0.00 -0.04 0.00 4.57 -1.10 -0.73 114.58 117.69 3hx5 h GLU 57 Ca 0.22 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.17 3hx5 h GLU 57 Cb 0.19 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3hx5 h GLU 57 CO -0.20 0.27 -0.91 0.93 -1.18 0.00 0.00 179.01 177.92 3hx5 h GLU 58 N 0.00 0.55 -0.40 1.92 5.08 0.37 -1.87 114.58 120.22 3hx5 h GLU 58 Ca -0.00 -0.54 -0.12 0.00 -1.00 0.00 0.00 59.36 57.70 3hx5 h GLU 58 Cb 0.62 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3hx5 h GLU 58 CO 0.03 1.17 -0.20 0.87 -1.00 0.00 0.00 179.01 179.88 3hx5 h LYS 59 N 0.33 0.85 -1.00 2.33 1.79 -0.60 -0.23 116.57 120.03 3hx5 h LYS 59 Ca -0.08 -0.37 0.08 0.00 -2.18 0.00 0.00 60.65 58.10 3hx5 h LYS 59 Cb 1.54 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 32.10 3hx5 h LYS 59 CO 0.17 1.01 0.64 -0.09 -1.08 0.00 0.00 179.45 180.11 3hx5 h ARG 60 N 0.66 1.10 -0.02 3.15 2.43 -1.08 0.13 114.38 120.75 3hx5 h ARG 60 Ca 0.09 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 3hx5 h ARG 60 Cb 0.76 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3hx5 h ARG 60 CO 0.06 0.73 -0.64 0.93 -1.51 0.00 0.00 179.97 179.54 3hx5 h GLU 61 N 1.13 0.08 0.14 0.20 5.08 -0.93 -2.82 114.58 117.46 3hx5 h GLU 61 Ca 0.45 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 3hx5 h GLU 61 Cb 0.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3hx5 h GLU 61 CO -0.20 0.69 -0.07 0.78 -1.00 0.00 0.00 179.01 179.21 3hx5 h GLY 62 N 1.77 -0.20 2.00 -3.84 0.00 0.10 -2.03 103.07 100.88 3hx5 h GLY 62 Ca -0.01 0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 3hx5 h GLY 62 CO 0.09 -0.07 -0.51 0.10 0.00 0.00 0.00 176.54 176.15 3hx5 h TYR 63 N -0.28 0.00 0.00 5.60 -0.00 -1.29 -2.54 116.97 118.45 3hx5 h TYR 63 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.63 3hx5 h TYR 63 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.94 3hx5 h TYR 63 CO -0.04 0.51 -0.37 0.93 -0.00 0.00 0.00 178.16 179.19 3hx5 h GLU 64 N 0.00 0.00 0.09 0.10 5.08 -1.39 0.15 114.58 118.60 3hx5 h GLU 64 Ca -0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 3hx5 h GLU 64 Cb 1.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.28 3hx5 h GLU 64 CO 0.07 0.37 -1.18 -0.09 -1.00 0.00 0.00 179.01 177.18 3hx5 h ARG 65 N 0.00 0.56 -0.63 2.33 2.43 -1.09 -2.08 114.38 115.89 3hx5 h ARG 65 Ca -0.00 -0.72 -0.05 0.00 -0.81 0.00 0.00 59.98 58.40 3hx5 h ARG 65 Cb 0.68 0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 3hx5 h ARG 65 CO 0.05 1.31 0.20 -0.07 -1.51 0.00 0.00 179.97 179.95 3hx5 h LEU 66 N 0.26 0.91 -0.88 3.80 3.38 -1.05 -0.26 115.31 121.48 3hx5 h LEU 66 Ca -0.16 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.51 3hx5 h LEU 66 Cb 1.85 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 3hx5 h LEU 66 CO 0.22 0.87 -0.23 -0.07 0.09 0.00 0.00 178.44 179.33 3hx5 h LEU 67 N 0.90 0.58 -0.63 1.67 3.38 -0.99 0.27 115.31 120.48 3hx5 h LEU 67 Ca 0.20 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3hx5 h LEU 67 Cb 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3hx5 h LEU 67 CO -0.01 0.80 -0.03 0.50 0.09 0.00 0.00 178.44 179.80 3hx5 h LYS 68 N 0.51 1.05 0.00 1.13 1.63 -0.96 -2.62 116.57 117.31 3hx5 h LYS 68 Ca 0.08 -0.34 -0.10 0.00 -0.85 0.00 0.00 60.65 59.43 3hx5 h LYS 68 Cb 0.67 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 3hx5 h LYS 68 CO 0.05 1.04 -0.49 1.98 -3.45 0.00 0.00 179.45 178.58 3hx5 h MET 69 N 0.95 0.00 0.06 1.90 4.05 -0.61 -2.57 114.93 118.71 3hx5 h MET 69 Ca 0.16 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.58 3hx5 h MET 69 Cb 0.58 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 3hx5 h MET 69 CO 0.03 0.49 -0.03 0.37 0.23 0.00 0.00 176.91 178.01 3hx5 h GLN 70 N 0.00 -0.08 0.00 0.39 5.75 -0.59 -2.46 115.11 118.11 3hx5 h GLN 70 Ca -0.00 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 3hx5 h GLN 70 Cb 0.99 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 3hx5 h GLN 70 CO 0.06 0.19 -0.32 -0.91 -2.65 0.00 0.00 178.83 175.20 3hx5 h ASN 71 N -0.35 0.00 -0.42 -0.69 4.21 -1.49 -0.07 115.58 116.77 3hx5 h ASN 71 Ca -0.01 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.41 3hx5 h ASN 71 Cb 0.31 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.49 3hx5 h ASN 71 CO 0.01 0.32 -0.08 1.56 -1.29 0.00 0.00 177.43 177.96 3hx5 h GLN 72 N 0.00 0.86 0.00 0.81 4.20 -1.35 -2.81 115.11 116.81 3hx5 h GLN 72 Ca -0.00 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.40 3hx5 h GLN 72 Cb 0.57 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 3hx5 h GLN 72 CO 0.04 0.90 -0.11 0.00 -0.67 0.00 0.00 178.83 178.99 3hx5 h ARG 73 N 0.78 0.00 0.00 1.46 2.47 -1.11 -3.48 114.38 114.51 3hx5 h ARG 73 Ca 0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 3hx5 h ARG 73 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 3hx5 h ARG 73 CO 0.04 0.11 0.00 0.41 0.56 0.00 0.00 179.97 181.09 3hx5 n GLY 74 N 0.96 1.12 3.34 0.04 0.00 -0.92 -3.78 105.19 105.96 3hx5 n GLY 74 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3hx5 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx5 n GLY 75 N -1.52 -1.25 2.91 -0.02 0.00 -0.09 -4.58 105.19 100.65 3hx5 n GLY 75 Ca 0.00 -1.73 -0.20 0.00 0.00 0.00 0.00 46.02 44.09 3hx5 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx5 s ARG 76 N -5.44 0.82 0.14 1.61 1.81 -1.26 -4.37 118.95 112.26 3hx5 s ARG 76 Ca 0.65 -0.14 -0.30 0.00 -1.72 0.00 0.00 55.73 54.21 3hx5 s ARG 76 Cb -0.02 -0.81 -0.07 0.00 -0.45 0.00 0.00 34.95 33.60 3hx5 s ARG 76 CO 0.45 -0.04 1.22 0.00 -0.68 0.00 0.00 175.30 176.25 3hx5 s ALA 77 N 0.73 3.44 -0.20 2.13 0.00 -1.26 -4.97 121.76 121.63 3hx5 s ALA 77 Ca -0.10 0.94 -0.04 0.00 0.00 0.00 0.00 51.96 52.76 3hx5 s ALA 77 Cb -0.13 -3.44 0.07 0.00 0.00 0.00 0.00 23.12 19.62 3hx5 s ALA 77 CO 0.00 -0.42 0.08 -0.51 0.00 0.00 0.00 175.76 174.92 3hx5 s LEU 78 N 0.26 0.65 0.41 0.00 1.43 -1.26 -5.14 118.68 115.04 3hx5 s LEU 78 Ca 0.56 -0.81 -0.07 0.00 -1.03 0.00 0.00 54.13 52.77 3hx5 s LEU 78 Cb -0.32 -0.37 -0.05 0.00 0.03 0.00 0.00 46.19 45.48 3hx5 s LEU 78 CO 0.34 -0.36 0.74 -0.36 0.23 0.00 0.00 176.35 176.94 3hx5 s PHE 79 N 2.04 3.50 0.26 0.29 0.08 -1.26 -4.89 117.98 118.01 3hx5 s PHE 79 Ca 0.03 0.88 0.01 0.00 0.12 0.00 0.00 56.93 57.97 3hx5 s PHE 79 Cb -0.16 -2.33 -0.05 0.00 -0.57 0.00 0.00 43.02 39.91 3hx5 s PHE 79 CO -0.14 -0.12 0.09 -0.65 -0.10 0.00 0.00 175.22 174.30 3hx5 s GLN 80 N -4.12 1.42 0.50 0.44 -1.52 -1.26 -5.13 119.66 109.98 3hx5 s GLN 80 Ca 0.48 -1.76 -0.24 0.00 -1.95 0.00 0.00 55.36 51.89 3hx5 s GLN 80 Cb -0.10 -0.31 -0.07 0.00 -0.22 0.00 0.00 33.01 32.31 3hx5 s GLN 80 CO 0.36 -0.28 1.40 -0.51 -0.25 0.00 0.00 175.29 176.01 3hx5 s ASP 81 N -3.32 5.58 -0.30 5.90 -0.00 -1.26 -4.97 116.67 118.30 3hx5 s ASP 81 Ca 0.37 2.86 -0.13 0.00 -0.00 0.00 0.00 52.55 55.65 3hx5 s ASP 81 Cb 0.08 -2.65 -0.04 0.00 -0.00 0.00 0.00 42.92 40.32 3hx5 s ASP 81 CO 0.13 -1.37 0.27 -0.63 -0.00 0.00 0.00 175.17 173.57 3hx5 s ILE 82 N -1.25 5.25 0.09 0.77 1.01 -1.26 -5.05 121.20 120.77 3hx5 s ILE 82 Ca 0.66 0.18 -0.31 0.00 0.00 0.00 0.00 60.65 61.18 3hx5 s ILE 82 Cb -0.42 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.33 3hx5 s ILE 82 CO 0.53 0.14 1.41 -0.75 0.00 0.00 0.00 174.94 176.26 3hx5 s LYS 83 N 1.86 4.30 0.63 2.79 2.20 -1.26 -4.97 119.74 125.30 3hx5 s LYS 83 Ca 0.09 2.07 -0.18 0.00 -0.36 0.00 0.00 55.97 57.59 3hx5 s LYS 83 Cb -0.16 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 3hx5 s LYS 83 CO 0.11 -0.49 1.22 0.36 -0.36 0.00 0.00 175.35 176.19 3hx5 n LYS 84 N 4.37 1.09 -1.44 4.03 2.85 -1.26 -4.90 118.16 122.89 3hx5 n LYS 84 Ca 0.12 0.43 -0.41 0.00 -1.05 0.00 0.00 58.31 57.40 3hx5 n LYS 84 Cb 0.42 -2.45 0.01 0.00 -0.65 0.00 0.00 35.03 32.36 3hx5 n LYS 84 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3hx5 n PRO 85 N -1.66 0.53 0.00 -1.58 -0.02 -1.26 -4.84 135.00 126.18 3hx5 n PRO 85 Ca 0.15 0.20 0.03 0.00 -2.02 0.00 0.00 63.50 61.86 3hx5 n PRO 85 Cb 0.48 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.61 3hx5 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx5 n ALA 86 N -0.99 1.57 -3.31 3.55 0.00 -1.26 -4.77 120.51 115.31 3hx5 n ALA 86 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 3hx5 n ALA 86 Cb 0.41 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 3hx5 n ALA 86 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hx5 s GLU 87 N -2.29 1.68 -0.03 0.00 0.41 -1.26 -5.05 118.70 112.15 3hx5 s GLU 87 Ca 0.07 -1.28 0.02 0.00 -0.41 0.00 0.00 54.97 53.37 3hx5 s GLU 87 Cb 0.04 0.50 -0.04 0.00 -1.78 0.00 0.00 34.13 32.85 3hx5 s GLU 87 CO 0.07 -0.72 -0.00 -0.25 -0.49 0.00 0.00 175.26 173.87 3hx5 n ASP 88 N -0.58 4.08 -4.06 -0.19 8.00 -1.26 -4.98 116.55 117.56 3hx5 n ASP 88 Ca -0.02 -0.01 -0.26 0.00 0.71 0.00 0.00 54.79 55.21 3hx5 n ASP 88 Cb 0.61 0.41 -0.17 0.00 -0.02 0.00 0.00 41.12 41.96 3hx5 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx5 s GLU 89 N -2.08 1.95 -0.29 -1.24 2.02 -1.26 -4.97 118.70 112.83 3hx5 s GLU 89 Ca -0.03 -0.49 0.11 0.00 0.02 0.00 0.00 54.97 54.58 3hx5 s GLU 89 Cb 0.01 -1.58 0.75 0.00 0.10 0.00 0.00 34.13 33.41 3hx5 s GLU 89 CO 0.12 0.04 1.76 0.91 0.02 0.00 0.00 175.26 178.11 3hx5 n TRP 90 N 3.81 2.22 -2.77 1.61 7.02 -1.26 -5.06 117.44 123.00 3hx5 n TRP 90 Ca -0.22 -1.06 0.00 0.00 -1.02 0.00 0.00 57.50 55.20 3hx5 n TRP 90 Cb 0.52 -0.61 0.00 0.00 -2.42 0.00 0.00 31.31 28.80 3hx5 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx5 n GLY 91 N 0.00 2.94 4.00 6.99 0.00 -1.26 -3.55 105.19 114.31 3hx5 n GLY 91 Ca 0.36 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 3hx5 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx5 s LYS 92 N 0.00 2.59 0.17 1.61 1.02 -1.26 -4.91 119.74 118.96 3hx5 s LYS 92 Ca 0.00 -1.07 -0.15 0.00 0.02 0.00 0.00 55.97 54.76 3hx5 s LYS 92 Cb 0.00 -2.61 0.14 0.00 -0.52 0.00 0.00 37.83 34.84 3hx5 s LYS 92 CO 0.00 -0.58 1.68 1.15 -0.92 0.00 0.00 175.35 176.67 3hx5 h THR 93 N 0.28 0.61 -0.51 2.17 2.02 -1.99 -1.10 112.91 114.40 3hx5 h THR 93 Ca -0.40 -0.02 0.09 0.00 0.77 0.00 0.00 66.41 66.86 3hx5 h THR 93 Cb 1.29 0.55 -0.08 0.00 -1.74 0.00 0.00 68.15 68.17 3hx5 h THR 93 CO 0.47 0.01 0.06 -0.65 0.37 0.00 0.00 175.52 175.78 3hx5 h PRO 94 N 0.06 0.18 0.01 6.66 0.11 -1.95 0.11 132.00 137.19 3hx5 h PRO 94 Ca 0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3hx5 h PRO 94 Cb 0.33 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 3hx5 h PRO 94 CO -0.41 0.12 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.05 3hx5 h ASP 95 N 0.18 -0.05 -0.21 -2.05 3.45 -1.69 -1.14 116.42 114.91 3hx5 h ASP 95 Ca 0.26 0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.70 3hx5 h ASP 95 Cb 0.37 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 3hx5 h ASP 95 CO -0.38 -0.03 0.07 0.00 -1.57 0.00 0.00 179.24 177.34 3hx5 h ALA 96 N 0.95 1.62 -0.27 3.45 0.00 -0.59 -1.82 119.26 122.60 3hx5 h ALA 96 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 3hx5 h ALA 96 Cb 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hx5 h ALA 96 CO -0.01 0.29 -0.37 1.98 0.00 0.00 0.00 179.25 181.15 3hx5 h MET 97 N 0.39 0.73 -0.84 0.00 -1.53 -0.30 -2.32 114.93 111.04 3hx5 h MET 97 Ca 0.10 -0.42 -0.01 0.00 -3.44 0.00 0.00 59.70 55.92 3hx5 h MET 97 Cb 0.14 0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.19 3hx5 h MET 97 CO -0.00 1.04 0.48 0.87 0.14 0.00 0.00 176.91 179.44 3hx5 h LYS 98 N 0.46 1.16 -0.42 0.39 1.57 -0.71 0.01 116.57 119.04 3hx5 h LYS 98 Ca 0.03 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3hx5 h LYS 98 Cb 0.96 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3hx5 h LYS 98 CO 0.09 0.84 0.16 0.00 -0.57 0.00 0.00 179.45 179.97 3hx5 h ALA 99 N 1.35 0.54 -0.31 3.86 0.00 -1.28 -1.50 119.26 121.93 3hx5 h ALA 99 Ca 0.30 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3hx5 h ALA 99 Cb -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3hx5 h ALA 99 CO -0.05 0.15 -0.15 0.00 0.00 0.00 0.00 179.25 179.19 3hx5 h ALA 100 N 1.01 1.15 -0.58 0.00 0.00 -0.84 -1.49 119.26 118.52 3hx5 h ALA 100 Ca 0.14 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3hx5 h ALA 100 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hx5 h ALA 100 CO -0.01 0.53 0.22 1.98 0.00 0.00 0.00 179.25 181.97 3hx5 h MET 101 N 0.50 0.87 0.09 0.00 -1.53 -0.71 -1.78 114.93 112.38 3hx5 h MET 101 Ca 0.09 -0.16 -0.00 0.00 -3.44 0.00 0.00 59.70 56.18 3hx5 h MET 101 Cb 0.56 -0.14 0.00 0.00 -0.55 0.00 0.00 31.60 31.47 3hx5 h MET 101 CO 0.04 0.76 -0.04 0.00 0.14 0.00 0.00 176.91 177.80 3hx5 h ALA 102 N 1.07 -0.12 -0.61 0.39 0.00 -0.96 -1.52 119.26 117.51 3hx5 h ALA 102 Ca 0.19 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.09 3hx5 h ALA 102 Cb 0.22 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3hx5 h ALA 102 CO -0.01 -0.46 0.41 1.25 0.00 0.00 0.00 179.25 180.43 3hx5 h LEU 103 N -0.34 0.31 0.03 0.00 5.85 -1.17 0.35 115.31 120.34 3hx5 h LEU 103 Ca -0.01 0.01 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 3hx5 h LEU 103 Cb 0.28 -0.05 0.02 0.00 0.37 0.00 0.00 40.66 41.27 3hx5 h LEU 103 CO 0.02 0.18 -1.15 -0.33 -0.34 0.00 0.00 178.44 176.82 3hx5 h GLU 104 N 0.34 0.47 -0.27 1.25 4.39 -1.10 -2.04 114.58 117.62 3hx5 h GLU 104 Ca 0.29 -0.63 -0.08 0.00 0.34 0.00 0.00 59.36 59.28 3hx5 h GLU 104 Cb 0.66 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 3hx5 h GLU 104 CO -0.07 1.26 -0.19 0.87 -1.16 0.00 0.00 179.01 179.72 3hx5 h LYS 105 N 0.21 0.49 0.13 2.33 1.57 -0.23 0.12 116.57 121.20 3hx5 h LYS 105 Ca -0.14 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3hx5 h LYS 105 Cb 1.83 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.10 3hx5 h LYS 105 CO 0.21 0.66 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.46 3hx5 h LYS 106 N 0.44 -0.17 -0.78 3.15 3.64 -0.94 -0.90 116.57 121.00 3hx5 h LYS 106 Ca 0.07 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 3hx5 h LYS 106 Cb 0.58 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 3hx5 h LYS 106 CO 0.04 0.06 0.52 -0.07 -2.27 0.00 0.00 179.45 177.73 3hx5 h LEU 107 N -0.39 0.85 -0.46 5.20 3.38 -1.10 -0.70 115.31 122.09 3hx5 h LEU 107 Ca -0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hx5 h LEU 107 Cb 0.31 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3hx5 h LEU 107 CO 0.03 0.59 0.17 -1.13 0.09 0.00 0.00 178.44 178.19 3hx5 h ASN 108 N 0.99 0.64 -0.47 -0.43 -1.24 -0.49 0.08 115.58 114.65 3hx5 h ASN 108 Ca 0.31 -0.18 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 3hx5 h ASN 108 Cb 0.00 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.86 3hx5 h ASN 108 CO -0.08 0.65 0.26 -0.61 -1.29 0.00 0.00 177.43 176.35 3hx5 h GLN 109 N 0.60 0.67 -0.75 6.67 5.75 -0.44 0.27 115.11 127.87 3hx5 h GLN 109 Ca 0.15 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 3hx5 h GLN 109 Cb 0.22 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 3hx5 h GLN 109 CO -0.01 0.53 0.40 0.00 -2.65 0.00 0.00 178.83 177.10 3hx5 h ALA 110 N 1.10 1.28 -0.38 3.38 0.00 -0.83 0.81 119.26 124.62 3hx5 h ALA 110 Ca 0.17 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3hx5 h ALA 110 Cb 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hx5 h ALA 110 CO -0.03 0.58 -0.21 -0.07 0.00 0.00 0.00 179.25 179.52 3hx5 h LEU 111 N 1.06 0.85 -0.68 0.00 3.38 -0.29 -1.69 115.31 117.92 3hx5 h LEU 111 Ca 0.26 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3hx5 h LEU 111 Cb 0.05 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3hx5 h LEU 111 CO -0.04 1.08 0.24 -0.07 0.09 0.00 0.00 178.44 179.73 3hx5 h LEU 112 N 0.62 0.98 -0.66 1.67 3.38 0.09 -1.86 115.31 119.53 3hx5 h LEU 112 Ca 0.08 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3hx5 h LEU 112 Cb 0.77 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3hx5 h LEU 112 CO 0.06 0.91 -0.10 0.44 0.09 0.00 0.00 178.44 179.84 3hx5 h ASP 113 N 0.99 0.94 0.66 -0.43 3.45 -0.80 -1.20 116.42 120.03 3hx5 h ASP 113 Ca 0.22 -0.30 -0.05 0.00 0.43 0.00 0.00 57.03 57.33 3hx5 h ASP 113 Cb 0.27 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 3hx5 h ASP 113 CO -0.01 1.05 -0.26 0.25 -1.57 0.00 0.00 179.24 178.70 3hx5 h LEU 114 N 0.84 0.00 0.08 1.55 5.85 -1.08 -0.16 115.31 122.38 3hx5 h LEU 114 Ca 0.14 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.58 3hx5 h LEU 114 Cb 0.64 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.70 3hx5 h LEU 114 CO 0.04 0.26 -1.13 -0.74 -0.34 0.00 0.00 178.44 176.53 3hx5 h HIS 115 N 0.00 0.99 -0.81 1.25 2.76 -0.92 -2.24 115.15 116.18 3hx5 h HIS 115 Ca -0.00 -0.59 0.00 0.00 -2.20 0.00 0.00 60.37 57.58 3hx5 h HIS 115 Cb 0.66 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.49 3hx5 h HIS 115 CO 0.00 1.43 0.52 0.00 -1.30 0.00 0.00 177.93 178.58 3hx5 h ALA 116 N 0.31 1.03 -0.32 5.26 0.00 -0.74 -0.81 119.26 123.99 3hx5 h ALA 116 Ca -0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3hx5 h ALA 116 Cb 1.80 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3hx5 h ALA 116 CO 0.22 0.46 0.16 1.25 0.00 0.00 0.00 179.25 181.34 3hx5 h LEU 117 N 1.10 0.41 -1.46 0.00 5.85 -1.04 -1.44 115.31 118.73 3hx5 h LEU 117 Ca 0.29 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.99 3hx5 h LEU 117 Cb -0.10 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 3hx5 h LEU 117 CO -0.06 0.41 0.46 1.23 -0.34 0.00 0.00 178.44 180.14 3hx5 h GLY 118 N 0.39 0.86 0.74 3.75 0.00 -0.67 0.49 103.07 108.63 3hx5 h GLY 118 Ca 0.11 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 3hx5 h GLY 118 CO -0.02 0.16 -0.23 1.76 0.00 0.00 0.00 176.54 178.22 3hx5 h SER 119 N 0.63 0.42 -0.64 0.19 0.02 -0.71 0.23 113.55 113.69 3hx5 h SER 119 Ca 0.32 -0.54 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3hx5 h SER 119 Cb 0.42 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3hx5 h SER 119 CO -0.11 0.88 0.38 0.00 -1.14 0.00 0.00 176.83 176.85 3hx5 h ALA 120 N 0.55 1.46 -0.42 3.77 0.00 -0.35 -1.25 119.26 123.02 3hx5 h ALA 120 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hx5 h ALA 120 Cb 0.81 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3hx5 h ALA 120 CO 0.05 0.47 0.00 0.54 0.00 0.00 0.00 179.25 180.31 3hx5 n ARG 121 N -4.40 2.25 -4.02 0.00 5.12 0.08 -4.95 116.66 110.74 3hx5 n ARG 121 Ca 0.06 -1.63 -0.36 0.00 -1.93 0.00 0.00 57.85 54.00 3hx5 n ARG 121 Cb 0.07 -1.45 -0.01 0.00 -1.16 0.00 0.00 32.46 29.91 3hx5 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx5 n THR 122 N 0.71 -3.08 -3.75 0.55 -2.24 -0.47 -4.93 114.28 101.07 3hx5 n THR 122 Ca 0.15 -0.64 -0.32 0.00 -2.27 0.00 0.00 64.05 60.97 3hx5 n THR 122 Cb 0.45 -2.51 -0.09 0.00 -2.10 0.00 0.00 70.33 66.08 3hx5 n THR 122 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hx5 n ASP 123 N -2.60 3.70 -0.05 3.42 -0.08 0.73 -4.94 116.55 116.72 3hx5 n ASP 123 Ca -0.20 -3.18 0.08 0.00 -1.51 0.00 0.00 54.79 49.98 3hx5 n ASP 123 Cb 0.63 -0.92 0.45 0.00 2.34 0.00 0.00 41.12 43.62 3hx5 n ASP 123 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hx5 h PRO 124 N 5.69 0.50 -0.46 -0.67 0.13 -1.92 -2.37 132.00 132.89 3hx5 h PRO 124 Ca 0.16 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 65.27 3hx5 h PRO 124 Cb 0.78 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 3hx5 h PRO 124 CO 0.80 0.33 0.30 1.25 -0.23 0.00 0.00 178.00 180.45 3hx5 h HIS 125 N 0.51 0.57 -0.48 1.56 2.76 -1.96 0.14 115.15 118.24 3hx5 h HIS 125 Ca 0.22 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.29 3hx5 h HIS 125 Cb 0.24 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 3hx5 h HIS 125 CO -0.00 0.35 -0.16 1.25 -1.30 0.00 0.00 177.93 178.07 3hx5 h LEU 126 N 0.61 0.93 0.41 0.26 5.85 -1.85 -1.08 115.31 120.44 3hx5 h LEU 126 Ca 0.17 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3hx5 h LEU 126 Cb -0.05 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 3hx5 h LEU 126 CO -0.05 1.07 -0.32 0.00 -0.34 0.00 0.00 178.44 178.81 3hx5 h ASP 128 N -0.72 -0.66 -0.96 0.00 3.58 -0.67 -1.02 116.42 115.97 3hx5 h ASP 128 Ca -0.04 0.11 0.27 0.00 0.42 0.00 0.00 57.03 57.79 3hx5 h ASP 128 Cb 0.62 0.29 -0.14 0.00 1.72 0.00 0.00 39.33 41.83 3hx5 h ASP 128 CO -0.01 -0.27 0.48 0.15 -2.88 0.00 0.00 179.24 176.72 3hx5 h PHE 129 N -0.28 0.80 0.19 0.28 3.04 -1.00 0.19 116.94 120.17 3hx5 h PHE 129 Ca 0.10 0.04 -0.32 0.00 3.98 0.00 0.00 57.97 61.77 3hx5 h PHE 129 Cb 0.42 -0.20 0.03 0.00 2.56 0.00 0.00 35.95 38.76 3hx5 h PHE 129 CO -0.31 -0.09 -1.37 -0.07 -2.02 0.00 0.00 178.31 174.45 3hx5 h LEU 130 N 0.39 0.80 -0.76 0.59 3.38 -0.63 -2.60 115.31 116.48 3hx5 h LEU 130 Ca 0.65 -0.81 0.04 0.00 0.09 0.00 0.00 57.88 57.85 3hx5 h LEU 130 Cb 1.34 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 3hx5 h LEU 130 CO -0.56 1.62 0.47 -0.33 0.09 0.00 0.00 178.44 179.73 3hx5 h GLU 131 N 0.18 0.87 0.24 1.13 5.08 0.17 0.24 114.58 122.49 3hx5 h GLU 131 Ca -0.22 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 3hx5 h GLU 131 Cb 2.06 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.11 3hx5 h GLU 131 CO 0.25 0.58 -0.12 1.15 -1.00 0.00 0.00 179.01 179.88 3hx5 h THR 132 N 0.90 0.75 0.00 1.13 2.02 -0.76 -3.38 112.91 113.57 3hx5 h THR 132 Ca 0.31 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3hx5 h THR 132 Cb 0.07 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3hx5 h THR 132 CO -0.13 0.16 -0.94 1.41 0.37 0.00 0.00 175.52 176.38 3hx5 n HIS 133 N -5.04 0.00 0.00 3.16 8.25 -0.98 -4.87 115.22 115.75 3hx5 n HIS 133 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3hx5 n HIS 133 Cb 0.26 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3hx5 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx5 n PHE 134 N -1.49 0.00 -0.16 4.41 3.72 -0.44 -4.67 117.46 118.83 3hx5 n PHE 134 Ca 0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.39 3hx5 n PHE 134 Cb 0.30 0.11 0.02 0.00 -0.94 0.00 0.00 39.48 38.98 3hx5 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx5 h LEU 135 N 0.00 -0.74 -0.34 4.37 3.38 -1.18 -1.72 115.31 119.08 3hx5 h LEU 135 Ca 0.00 0.18 -0.19 0.00 0.09 0.00 0.00 57.88 57.95 3hx5 h LEU 135 Cb 0.77 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3hx5 h LEU 135 CO 0.00 -0.24 -0.72 -0.78 0.09 0.00 0.00 178.44 176.79 3hx5 h ASP 136 N -0.10 0.67 -0.96 -0.43 1.82 -1.83 -2.89 116.42 112.70 3hx5 h ASP 136 Ca 0.23 -0.43 0.06 0.00 -0.39 0.00 0.00 57.03 56.50 3hx5 h ASP 136 Cb 0.47 -0.20 -0.06 0.00 0.68 0.00 0.00 39.33 40.22 3hx5 h ASP 136 CO -0.57 1.18 0.63 -0.33 -1.61 0.00 0.00 179.24 178.54 3hx5 h GLU 137 N 0.40 1.11 -0.21 0.28 4.39 -1.73 -2.03 114.58 116.79 3hx5 h GLU 137 Ca -0.03 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.49 3hx5 h GLU 137 Cb 1.31 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3hx5 h GLU 137 CO 0.13 0.74 -0.32 0.93 -1.16 0.00 0.00 179.01 179.33 3hx5 h GLU 138 N 1.14 0.58 -0.43 2.33 4.39 -1.26 -1.95 114.58 119.38 3hx5 h GLU 138 Ca 0.40 -0.35 0.03 0.00 0.34 0.00 0.00 59.36 59.78 3hx5 h GLU 138 Cb 0.13 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 3hx5 h GLU 138 CO -0.15 0.96 0.23 0.28 -1.16 0.00 0.00 179.01 179.17 3hx5 h VAL 139 N 0.26 1.00 -0.46 3.13 2.07 -1.26 0.15 116.25 121.13 3hx5 h VAL 139 Ca 0.02 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3hx5 h VAL 139 Cb 0.91 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3hx5 h VAL 139 CO 0.07 0.08 0.27 0.11 0.02 0.00 0.00 177.57 178.13 3hx5 h LYS 140 N 0.46 0.63 -0.60 1.57 1.57 -1.38 -0.41 116.57 118.40 3hx5 h LYS 140 Ca 0.18 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 3hx5 h LYS 140 Cb 0.07 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3hx5 h LYS 140 CO -0.11 0.47 0.07 1.25 -0.57 0.00 0.00 179.45 180.56 3hx5 h LEU 141 N 0.61 0.96 -0.41 2.94 5.85 -0.81 0.33 115.31 124.78 3hx5 h LEU 141 Ca 0.16 -0.23 -0.16 0.00 0.84 0.00 0.00 57.88 58.49 3hx5 h LEU 141 Cb 0.01 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3hx5 h LEU 141 CO -0.03 0.98 -0.36 0.40 -0.34 0.00 0.00 178.44 179.09 3hx5 h ILE 142 N 0.94 1.27 -0.84 4.05 2.04 -0.51 -1.25 117.51 123.22 3hx5 h ILE 142 Ca 0.18 -1.54 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 3hx5 h ILE 142 Cb 0.45 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3hx5 h ILE 142 CO 0.02 0.52 0.40 0.50 0.00 0.00 0.00 178.15 179.59 3hx5 h LYS 143 N 0.78 1.20 -0.50 2.37 1.63 -0.73 0.16 116.57 121.48 3hx5 h LYS 143 Ca 0.07 -0.18 -0.04 0.00 -0.85 0.00 0.00 60.65 59.65 3hx5 h LYS 143 Cb 0.96 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 32.35 3hx5 h LYS 143 CO 0.09 0.92 0.15 -0.22 -3.45 0.00 0.00 179.45 176.94 3hx5 h LYS 144 N 1.19 0.79 0.00 1.90 3.64 -0.72 -1.04 116.57 122.32 3hx5 h LYS 144 Ca 0.29 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 3hx5 h LYS 144 Cb 0.12 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3hx5 h LYS 144 CO -0.04 0.74 -0.43 0.52 -2.27 0.00 0.00 179.45 177.97 3hx5 h MET 145 N 0.68 0.00 -0.27 1.90 2.86 -0.77 -1.55 114.93 117.78 3hx5 h MET 145 Ca 0.16 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 3hx5 h MET 145 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3hx5 h MET 145 CO -0.00 0.43 0.00 0.78 1.06 0.00 0.00 176.91 179.18 3hx5 h GLY 146 N 1.66 0.52 0.95 8.32 0.00 -0.14 -0.97 103.07 113.41 3hx5 h GLY 146 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3hx5 h GLY 146 CO 0.06 0.35 -0.27 -0.55 0.00 0.00 0.00 176.54 176.13 3hx5 h ASP 147 N 0.27 -0.67 -0.67 0.19 3.32 -1.02 -2.37 116.42 115.47 3hx5 h ASP 147 Ca 0.08 0.03 0.14 0.00 0.02 0.00 0.00 57.03 57.30 3hx5 h ASP 147 Cb 0.42 0.18 -0.12 0.00 0.22 0.00 0.00 39.33 40.04 3hx5 h ASP 147 CO 0.01 -0.45 -0.04 0.45 -1.72 0.00 0.00 179.24 177.49 3hx5 h HIS 148 N -0.73 -0.13 -0.39 4.55 3.86 -1.15 -0.21 115.15 120.95 3hx5 h HIS 148 Ca -0.07 0.05 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 3hx5 h HIS 148 Cb 0.58 0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.17 3hx5 h HIS 148 CO -0.06 -0.22 0.16 -0.07 0.86 0.00 0.00 177.93 178.60 3hx5 h LEU 149 N 0.08 0.21 -1.16 2.43 3.38 -0.93 0.77 115.31 120.08 3hx5 h LEU 149 Ca 0.35 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3hx5 h LEU 149 Cb 0.58 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3hx5 h LEU 149 CO -0.61 0.16 0.53 0.74 0.09 0.00 0.00 178.44 179.35 3hx5 h THR 150 N 0.34 1.22 -0.17 0.22 2.02 -0.56 -0.10 112.91 115.87 3hx5 h THR 150 Ca 0.17 -0.42 -0.17 0.00 0.77 0.00 0.00 66.41 66.76 3hx5 h THR 150 Cb 0.12 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3hx5 h THR 150 CO -0.15 0.22 -0.54 0.78 0.37 0.00 0.00 175.52 176.19 3hx5 h ASN 151 N 1.13 0.78 -0.84 4.18 2.35 -0.58 -2.23 115.58 120.36 3hx5 h ASN 151 Ca 0.30 -0.59 -0.03 0.00 -0.55 0.00 0.00 56.30 55.43 3hx5 h ASN 151 Cb -0.10 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.00 3hx5 h ASN 151 CO -0.06 1.23 0.43 -0.07 -1.65 0.00 0.00 177.43 177.31 3hx5 h LEU 152 N 0.36 1.09 -0.76 1.61 3.38 -0.47 -1.90 115.31 118.62 3hx5 h LEU 152 Ca -0.02 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3hx5 h LEU 152 Cb 1.16 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 3hx5 h LEU 152 CO 0.12 0.90 0.13 -0.74 0.09 0.00 0.00 178.44 178.94 3hx5 h HIS 153 N 1.19 1.13 0.00 1.13 2.76 -1.01 -2.54 115.15 117.81 3hx5 h HIS 153 Ca 0.29 -0.14 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3hx5 h HIS 153 Cb 0.09 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 28.73 3hx5 h HIS 153 CO 0.01 0.93 -0.12 -0.09 -1.30 0.00 0.00 177.93 177.37 3hx5 h ARG 154 N 1.01 0.00 -2.54 5.26 2.43 -0.81 -3.33 114.38 116.40 3hx5 h ARG 154 Ca 0.21 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.09 3hx5 h ARG 154 Cb 0.39 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3hx5 h ARG 154 CO 0.01 0.12 0.99 1.28 -1.51 0.00 0.00 179.97 180.86 3hx5 n LEU 155 N -3.53 5.17 0.00 3.80 4.77 -0.77 -4.16 117.00 122.29 3hx5 n LEU 155 Ca -0.01 -3.01 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 3hx5 n LEU 155 Cb 0.26 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 3hx5 n LEU 155 CO 0.30 1.31 0.00 0.61 -1.33 0.00 0.00 177.39 178.28 3hx5 n GLY 156 N 2.97 0.36 0.00 -0.72 0.00 -1.25 -5.05 105.19 101.49 3hx5 n GLY 156 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3hx5 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx5 n GLY 157 N 1.59 -0.98 0.40 -0.02 0.00 -1.26 -4.79 105.19 100.12 3hx5 n GLY 157 Ca 0.00 -0.98 0.21 0.00 0.00 0.00 0.00 46.02 45.26 3hx5 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx5 h PRO 158 N 0.00 0.43 -1.80 1.61 0.13 -2.01 -3.08 132.00 127.28 3hx5 h PRO 158 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3hx5 h PRO 158 Cb 0.00 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.03 3hx5 h PRO 158 CO 0.00 0.29 0.00 0.39 -0.23 0.00 0.00 178.00 178.45 3hx5 n GLU 159 N -4.65 0.82 0.00 0.86 1.02 -1.26 -4.34 120.64 113.09 3hx5 n GLU 159 Ca 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 3hx5 n GLU 159 Cb 0.82 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.16 3hx5 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hx5 n ALA 160 N 1.34 1.99 -2.75 0.62 0.00 -1.17 -4.45 120.51 116.10 3hx5 n ALA 160 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3hx5 n ALA 160 Cb 0.41 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.75 3hx5 n ALA 160 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hx5 s GLY 161 N -1.49 1.96 0.00 0.00 0.00 -1.26 -5.06 107.32 101.47 3hx5 s GLY 161 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.96 3hx5 s GLY 161 CO 0.00 0.88 0.00 1.04 0.00 0.00 0.00 173.10 175.02 3hx5 n LEU 162 N 5.04 0.00 -4.57 0.66 4.77 -1.26 -4.84 117.00 116.80 3hx5 n LEU 162 Ca -0.11 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.66 3hx5 n LEU 162 Cb 0.46 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 3hx5 n LEU 162 CO 0.38 0.00 1.27 -0.83 -1.33 0.00 0.00 177.39 176.88 3hx5 s GLY 163 N 0.00 -0.47 0.09 -0.72 0.00 -1.26 -4.85 107.32 100.11 3hx5 s GLY 163 Ca 0.00 -1.47 -0.35 0.00 0.00 0.00 0.00 44.72 42.90 3hx5 s GLY 163 CO 0.00 3.93 1.57 0.83 0.00 0.00 0.00 173.10 179.43 3hx5 h GLU 164 N 11.38 -0.88 -0.02 2.90 5.08 -2.04 -3.57 114.58 127.43 3hx5 h GLU 164 Ca 0.08 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3hx5 h GLU 164 Cb 0.99 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3hx5 h GLU 164 CO 1.10 -0.59 0.00 0.66 -1.00 0.00 0.00 179.01 179.19