#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx5 n SER 3 N 0.00 -3.17 0.04 -3.46 2.88 -1.26 -4.92 113.62 103.73 3hx5 n SER 3 Ca 0.00 0.44 -0.03 0.00 -1.33 0.00 0.00 58.87 57.95 3hx5 n SER 3 Cb 0.00 -1.02 0.20 0.00 -0.75 0.00 0.00 64.21 62.64 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 -0.70 0.42 -0.00 -1.46 4.15 -1.98 -3.24 115.11 112.29 3hx5 h GLN 4 Ca -0.44 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 58.81 3hx5 h GLN 4 Cb 1.34 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.01 3hx5 h GLN 4 CO 0.35 0.69 -0.60 0.44 -1.93 0.00 0.00 178.83 177.78 3hx5 n ILE 5 N -4.09 0.00 -1.67 2.39 -5.35 -1.26 -5.02 119.36 104.36 3hx5 n ILE 5 Ca -0.01 -0.20 -0.49 0.00 -0.27 0.00 0.00 62.75 61.78 3hx5 n ILE 5 Cb 0.44 1.07 -0.05 0.00 -1.74 0.00 0.00 39.64 39.35 3hx5 n ILE 5 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3hx5 n ARG 6 N -0.94 1.96 -3.66 6.28 0.63 -1.23 -4.86 116.66 114.84 3hx5 n ARG 6 Ca 0.04 0.71 -0.08 0.00 -0.92 0.00 0.00 57.85 57.60 3hx5 n ARG 6 Cb 0.28 -2.49 -0.09 0.00 0.45 0.00 0.00 32.46 30.60 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 2.34 0.35 -1.50 -0.14 0.74 -1.26 -4.92 119.66 115.27 3hx5 s GLN 7 Ca 0.87 1.01 -0.13 0.00 0.05 0.00 0.00 55.36 57.17 3hx5 s GLN 7 Cb -0.75 0.29 0.07 0.00 1.10 0.00 0.00 33.01 33.72 3hx5 s GLN 7 CO 0.47 -0.23 1.02 -1.71 -0.55 0.00 0.00 175.29 174.28 3hx5 n ASN 8 N 5.19 -5.00 -4.00 6.67 5.15 -1.26 -4.96 115.26 117.04 3hx5 n ASN 8 Ca -0.11 -0.74 -0.31 0.00 -0.60 0.00 0.00 54.58 52.82 3hx5 n ASN 8 Cb 0.51 -4.11 -0.15 0.00 -0.53 0.00 0.00 39.78 35.50 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 -3.31 3.05 0.50 1.20 5.04 -1.26 -4.82 117.35 117.74 3hx5 s TYR 9 Ca 0.63 -2.29 -0.19 0.00 -2.44 0.00 0.00 57.07 52.78 3hx5 s TYR 9 Cb -0.31 -2.05 -0.08 0.00 0.35 0.00 0.00 41.96 39.87 3hx5 s TYR 9 CO 0.81 -0.87 1.00 -1.54 -1.34 0.00 0.00 175.55 173.62 3hx5 s SER 10 N 1.17 6.47 0.53 4.32 1.04 -1.26 -4.95 113.70 121.01 3hx5 s SER 10 Ca -0.02 1.75 0.23 0.00 0.48 0.00 0.00 55.95 58.39 3hx5 s SER 10 Cb -0.19 -2.54 1.44 0.00 0.10 0.00 0.00 66.02 64.83 3hx5 s SER 10 CO -0.07 -0.69 2.13 0.71 0.98 0.00 0.00 173.24 176.29 3hx5 h THR 11 N 1.28 0.76 -0.22 2.02 1.35 -1.99 -2.15 112.91 113.96 3hx5 h THR 11 Ca -0.48 -0.30 -0.03 0.00 -0.55 0.00 0.00 66.41 65.05 3hx5 h THR 11 Cb 1.20 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 3hx5 h THR 11 CO 0.60 0.08 0.03 0.44 -0.25 0.00 0.00 175.52 176.41 3hx5 h ASP 12 N 0.00 0.36 -0.38 5.36 3.45 -2.00 -2.19 116.42 121.01 3hx5 h ASP 12 Ca -0.00 -0.27 -0.08 0.00 0.43 0.00 0.00 57.03 57.11 3hx5 h ASP 12 Cb 0.17 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 3hx5 h ASP 12 CO 0.01 0.54 -0.06 0.58 -1.57 0.00 0.00 179.24 178.74 3hx5 h VAL 13 N 0.17 1.27 -0.22 -1.35 2.07 -1.81 -2.08 116.25 114.30 3hx5 h VAL 13 Ca 0.07 -1.11 0.06 0.00 0.82 0.00 0.00 66.70 66.53 3hx5 h VAL 13 Cb 0.34 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 3hx5 h VAL 13 CO 0.01 0.37 -0.22 -0.08 0.02 0.00 0.00 177.57 177.67 3hx5 h GLU 14 N 0.52 -0.22 -0.47 1.57 4.81 -1.32 0.24 114.58 119.71 3hx5 h GLU 14 Ca 0.10 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3hx5 h GLU 14 Cb 0.56 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 3hx5 h GLU 14 CO 0.03 -0.15 0.19 0.00 -0.73 0.00 0.00 179.01 178.35 3hx5 h ALA 15 N 0.83 0.61 -0.93 2.92 0.00 -1.38 -2.30 119.26 119.01 3hx5 h ALA 15 Ca 0.13 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hx5 h ALA 15 Cb 0.43 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3hx5 h ALA 15 CO -0.35 0.22 0.61 0.00 0.00 0.00 0.00 179.25 179.73 3hx5 h ALA 16 N 1.03 1.41 -0.42 0.00 0.00 -0.65 -0.06 119.26 120.57 3hx5 h ALA 16 Ca 0.16 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3hx5 h ALA 16 Cb 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3hx5 h ALA 16 CO -0.01 0.50 -0.07 0.28 0.00 0.00 0.00 179.25 179.95 3hx5 h VAL 17 N 1.17 1.27 -0.76 0.00 2.07 -0.29 -0.39 116.25 119.32 3hx5 h VAL 17 Ca 0.37 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3hx5 h VAL 17 Cb 0.02 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3hx5 h VAL 17 CO -0.11 0.39 0.27 0.78 0.02 0.00 0.00 177.57 178.92 3hx5 h ASN 18 N 0.62 1.08 -0.46 0.57 2.35 -0.84 -1.30 115.58 117.60 3hx5 h ASN 18 Ca 0.11 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3hx5 h ASN 18 Cb 0.59 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3hx5 h ASN 18 CO 0.04 0.98 0.23 -1.28 -1.65 0.00 0.00 177.43 175.75 3hx5 h SER 19 N 1.12 0.59 0.43 5.81 0.87 -0.79 -2.13 113.55 119.45 3hx5 h SER 19 Ca 0.25 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 3hx5 h SER 19 Cb 0.27 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3hx5 h SER 19 CO -0.01 0.54 -0.30 0.25 -0.53 0.00 0.00 176.83 176.78 3hx5 h LEU 20 N 0.60 0.00 -0.29 2.23 5.85 -0.79 -1.43 115.31 121.48 3hx5 h LEU 20 Ca 0.16 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3hx5 h LEU 20 Cb 0.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3hx5 h LEU 20 CO -0.02 0.30 0.10 0.58 -0.34 0.00 0.00 178.44 179.05 3hx5 h VAL 21 N 0.00 1.19 -0.32 1.05 2.07 -0.62 0.18 116.25 119.80 3hx5 h VAL 21 Ca -0.00 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 66.91 3hx5 h VAL 21 Cb 0.59 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3hx5 h VAL 21 CO 0.04 0.20 0.21 -1.13 0.02 0.00 0.00 177.57 176.91 3hx5 h ASN 22 N 0.31 0.35 -0.57 0.57 -0.73 -1.07 0.23 115.58 114.68 3hx5 h ASN 22 Ca 0.09 -0.01 0.06 0.00 1.87 0.00 0.00 56.30 58.32 3hx5 h ASN 22 Cb 0.22 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.68 3hx5 h ASN 22 CO -0.00 0.26 0.27 0.25 -0.37 0.00 0.00 177.43 177.83 3hx5 h LEU 23 N 0.42 0.37 -0.40 0.34 5.85 -0.94 0.19 115.31 121.13 3hx5 h LEU 23 Ca 0.12 0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.71 3hx5 h LEU 23 Cb -0.04 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 3hx5 h LEU 23 CO -0.04 0.24 -0.49 1.88 -0.34 0.00 0.00 178.44 179.69 3hx5 h TYR 24 N 0.51 0.98 -0.72 1.25 -1.99 -0.49 -1.47 116.97 115.04 3hx5 h TYR 24 Ca 0.26 -0.33 0.06 0.00 2.00 0.00 0.00 58.73 60.73 3hx5 h TYR 24 Cb 0.22 -0.19 -0.06 0.00 2.00 0.00 0.00 36.73 38.69 3hx5 h TYR 24 CO -0.11 1.13 0.41 -0.07 -0.00 0.00 0.00 178.16 179.52 3hx5 h LEU 25 N 0.63 0.62 0.21 3.88 3.38 0.28 0.66 115.31 124.96 3hx5 h LEU 25 Ca 0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hx5 h LEU 25 Cb 1.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3hx5 h LEU 25 CO 0.11 0.39 -0.10 -0.61 0.09 0.00 0.00 178.44 178.32 3hx5 h GLN 26 N 0.75 -0.27 -0.71 1.13 4.15 -0.44 -1.80 115.11 117.93 3hx5 h GLN 26 Ca 0.32 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.87 3hx5 h GLN 26 Cb 0.20 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 27.88 3hx5 h GLN 26 CO -0.19 -0.11 0.32 0.00 -1.93 0.00 0.00 178.83 176.92 3hx5 h ALA 27 N 0.40 0.97 -0.57 3.38 0.00 -0.64 0.61 119.26 123.41 3hx5 h ALA 27 Ca -0.03 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3hx5 h ALA 27 Cb 0.29 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3hx5 h ALA 27 CO 0.05 -0.12 0.31 1.03 0.00 0.00 0.00 179.25 180.51 3hx5 h SER 28 N 0.52 0.45 -0.08 0.00 0.87 -0.53 -0.04 113.55 114.75 3hx5 h SER 28 Ca 0.36 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.95 3hx5 h SER 28 Cb 0.45 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3hx5 h SER 28 CO -0.31 0.31 0.05 0.22 -0.53 0.00 0.00 176.83 176.56 3hx5 h TYR 29 N 0.59 0.11 -0.57 2.24 3.20 -0.27 -0.85 116.97 121.42 3hx5 h TYR 29 Ca 0.25 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.23 3hx5 h TYR 29 Cb 0.13 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.28 3hx5 h TYR 29 CO -0.09 0.11 0.09 1.15 -1.64 0.00 0.00 178.16 177.78 3hx5 h THR 30 N 0.07 0.63 -0.16 1.81 2.02 -0.10 0.84 112.91 118.03 3hx5 h THR 30 Ca 0.03 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 3hx5 h THR 30 Cb 0.03 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3hx5 h THR 30 CO -0.01 0.04 -0.27 1.88 0.37 0.00 0.00 175.52 177.53 3hx5 h TYR 31 N 0.21 0.32 -0.70 3.16 0.05 -0.75 -1.91 116.97 117.35 3hx5 h TYR 31 Ca 0.29 -0.06 0.03 0.00 0.05 0.00 0.00 58.73 59.04 3hx5 h TYR 31 Cb 0.44 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.05 3hx5 h TYR 31 CO -0.27 0.54 0.44 1.25 -1.05 0.00 0.00 178.16 179.07 3hx5 h LEU 32 N 0.26 0.72 0.63 3.88 5.85 0.61 0.24 115.31 127.50 3hx5 h LEU 32 Ca 0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3hx5 h LEU 32 Cb 0.62 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.50 3hx5 h LEU 32 CO 0.04 0.50 -0.30 -1.28 -0.34 0.00 0.00 178.44 177.06 3hx5 h SER 33 N 0.86 -0.71 -0.83 1.25 0.87 -0.88 -1.97 113.55 112.14 3hx5 h SER 33 Ca 0.28 -0.02 0.17 0.00 -1.23 0.00 0.00 61.79 60.99 3hx5 h SER 33 Cb 0.02 0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 62.06 3hx5 h SER 33 CO -0.11 -0.41 0.37 -0.07 -0.53 0.00 0.00 176.83 176.08 3hx5 h LEU 34 N -1.00 0.37 -0.13 2.23 3.38 -1.12 0.20 115.31 119.24 3hx5 h LEU 34 Ca -0.09 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3hx5 h LEU 34 Cb 0.69 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3hx5 h LEU 34 CO 0.14 0.11 0.01 1.23 0.09 0.00 0.00 178.44 180.02 3hx5 h GLY 35 N 0.49 0.13 2.00 0.83 0.00 -0.32 -2.48 103.07 103.72 3hx5 h GLY 35 Ca 0.47 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.79 3hx5 h GLY 35 CO -0.43 -0.01 -0.08 0.74 0.00 0.00 0.00 176.54 176.75 3hx5 h PHE 36 N 0.05 0.00 -0.16 5.60 -1.00 -0.48 -3.19 116.94 117.77 3hx5 h PHE 36 Ca 0.06 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.84 3hx5 h PHE 36 Cb 0.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 3hx5 h PHE 36 CO -0.13 0.08 0.09 -0.92 -1.61 0.00 0.00 178.31 175.82 3hx5 h TYR 37 N 0.00 0.21 0.00 -0.55 3.20 -0.19 -1.92 116.97 117.71 3hx5 h TYR 37 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hx5 h TYR 37 Cb 0.90 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.10 3hx5 h TYR 37 CO 0.00 0.18 0.00 1.19 -1.64 0.00 0.00 178.16 177.89 3hx5 n PHE 38 N -4.95 0.00 0.12 -3.82 3.72 -1.08 -2.51 117.46 108.95 3hx5 n PHE 38 Ca -0.04 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.47 3hx5 n PHE 38 Cb 0.05 -0.20 0.03 0.00 -0.94 0.00 0.00 39.48 38.43 3hx5 n PHE 38 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3hx5 h ASP 39 N 0.00 0.00 -2.63 4.37 -0.00 -1.38 -1.88 116.42 114.91 3hx5 h ASP 39 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 57.03 56.43 3hx5 h ASP 39 Cb 0.15 0.00 0.12 0.00 -0.00 0.00 0.00 39.33 39.60 3hx5 h ASP 39 CO 0.00 0.03 0.11 0.54 -0.00 0.00 0.00 179.24 179.92 3hx5 n ARG 40 N -2.77 1.33 0.25 0.28 1.74 -1.04 -4.63 116.66 111.81 3hx5 n ARG 40 Ca 0.00 0.47 0.17 0.00 -0.77 0.00 0.00 57.85 57.72 3hx5 n ARG 40 Cb 0.56 -1.88 0.87 0.00 -1.02 0.00 0.00 32.46 30.98 3hx5 n ARG 40 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3hx5 h ASP 41 N 1.82 0.00 -0.09 0.55 2.03 -1.91 0.11 116.42 118.92 3hx5 h ASP 41 Ca -0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 3hx5 h ASP 41 Cb 1.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 3hx5 h ASP 41 CO 0.59 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.90 3hx5 n ASP 42 N -2.71 2.45 -0.02 4.15 3.85 -1.26 -4.33 116.55 118.68 3hx5 n ASP 42 Ca -0.02 -1.81 -0.03 0.00 -0.71 0.00 0.00 54.79 52.22 3hx5 n ASP 42 Cb 0.10 -0.05 -0.01 0.00 -1.35 0.00 0.00 41.12 39.81 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 0.89 0.18 -4.07 2.12 0.31 -0.59 -5.08 118.33 112.09 3hx5 n VAL 43 Ca 0.17 -0.05 -0.39 0.00 -0.01 0.00 0.00 64.34 64.05 3hx5 n VAL 43 Cb 0.49 -1.27 -0.01 0.00 -0.91 0.00 0.00 33.84 32.14 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 -2.98 -2.40 -3.80 3.52 0.00 0.26 -4.96 120.51 110.15 3hx5 n ALA 44 Ca -0.06 -0.47 -0.28 0.00 0.00 0.00 0.00 53.44 52.63 3hx5 n ALA 44 Cb 0.55 -2.30 -0.11 0.00 0.00 0.00 0.00 19.45 17.59 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 -4.77 3.01 -0.23 0.00 4.77 -0.71 -4.96 117.00 114.12 3hx5 n LEU 45 Ca -0.18 -5.22 0.03 0.00 -0.03 0.00 0.00 56.01 50.62 3hx5 n LEU 45 Cb 0.61 -0.68 0.15 0.00 -2.33 0.00 0.00 43.42 41.17 3hx5 n LEU 45 CO 0.76 1.81 0.92 -0.08 -1.33 0.00 0.00 177.39 179.48 3hx5 h GLU 46 N 5.18 0.26 -0.11 3.23 4.81 -1.93 -0.53 114.58 125.48 3hx5 h GLU 46 Ca 0.16 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3hx5 h GLU 46 Cb 0.74 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 3hx5 h GLU 46 CO 0.72 0.17 0.02 0.78 -0.73 0.00 0.00 179.01 179.97 3hx5 h GLY 47 N 0.26 0.12 1.68 1.92 0.00 -1.95 -0.55 103.07 104.55 3hx5 h GLY 47 Ca 0.37 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.61 3hx5 h GLY 47 CO -0.47 0.00 -0.23 -2.08 0.00 0.00 0.00 176.54 173.76 3hx5 h VAL 48 N 0.07 1.25 0.84 4.60 2.07 -1.82 -1.22 116.25 122.04 3hx5 h VAL 48 Ca 0.05 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 3hx5 h VAL 48 Cb 0.04 1.34 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3hx5 h VAL 48 CO -0.06 0.36 -0.40 -1.28 0.02 0.00 0.00 177.57 176.20 3hx5 h SER 49 N 0.34 -0.96 -1.00 0.57 0.87 -0.69 -2.42 113.55 110.26 3hx5 h SER 49 Ca 0.05 0.03 0.15 0.00 -1.23 0.00 0.00 61.79 60.79 3hx5 h SER 49 Cb 0.59 0.25 -0.09 0.00 -0.44 0.00 0.00 62.40 62.71 3hx5 h SER 49 CO 0.04 -0.67 0.62 -0.74 -0.53 0.00 0.00 176.83 175.55 3hx5 h HIS 50 N -1.16 1.11 -0.27 2.24 6.17 -0.95 -0.89 115.15 121.40 3hx5 h HIS 50 Ca -0.12 0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.02 3hx5 h HIS 50 Cb 0.87 -0.34 -0.03 0.00 2.52 0.00 0.00 27.41 30.43 3hx5 h HIS 50 CO -0.01 0.36 0.12 0.35 0.71 0.00 0.00 177.93 179.45 3hx5 h PHE 51 N 0.89 0.22 -0.00 5.26 3.57 -0.98 -1.36 116.94 124.53 3hx5 h PHE 51 Ca 0.53 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.88 3hx5 h PHE 51 Cb 0.66 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3hx5 h PHE 51 CO -0.01 0.11 -0.78 0.74 -2.23 0.00 0.00 178.31 176.15 3hx5 h PHE 52 N 0.26 0.07 -0.22 0.41 -1.00 -0.87 -2.99 116.94 112.60 3hx5 h PHE 52 Ca 0.12 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 3hx5 h PHE 52 Cb 0.06 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 3hx5 h PHE 52 CO -0.11 0.80 0.11 0.00 -1.61 0.00 0.00 178.31 177.51 3hx5 h ARG 53 N 0.03 0.31 -0.61 1.51 3.08 -0.84 -0.95 114.38 116.90 3hx5 h ARG 53 Ca -0.01 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3hx5 h ARG 53 Cb 1.37 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 3hx5 h ARG 53 CO 0.11 0.30 0.40 0.93 -1.07 0.00 0.00 179.97 180.64 3hx5 h GLU 54 N 0.23 0.73 -0.03 0.04 5.08 -1.28 -0.74 114.58 118.62 3hx5 h GLU 54 Ca 0.08 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 3hx5 h GLU 54 Cb 0.09 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3hx5 h GLU 54 CO -0.01 0.49 -0.50 -0.07 -1.00 0.00 0.00 179.01 177.91 3hx5 h LEU 55 N 0.76 0.09 -0.34 1.33 3.38 -1.26 0.33 115.31 119.60 3hx5 h LEU 55 Ca 0.24 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3hx5 h LEU 55 Cb 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3hx5 h LEU 55 CO -0.06 0.58 0.10 0.00 0.09 0.00 0.00 178.44 179.14 3hx5 h ALA 56 N 1.43 0.44 -0.69 1.53 0.00 0.19 0.31 119.26 122.47 3hx5 h ALA 56 Ca -0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3hx5 h ALA 56 Cb 0.91 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3hx5 h ALA 56 CO 0.07 0.09 0.14 1.49 0.00 0.00 0.00 179.25 181.04 3hx5 h GLU 57 N 0.39 1.11 -0.65 0.00 4.57 -1.08 -1.09 114.58 117.83 3hx5 h GLU 57 Ca 0.11 -0.28 -0.09 0.00 -1.18 0.00 0.00 59.36 57.92 3hx5 h GLU 57 Cb 0.27 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3hx5 h GLU 57 CO -0.00 1.00 0.06 0.93 -1.18 0.00 0.00 179.01 179.82 3hx5 h GLU 58 N 1.05 1.10 0.00 1.92 5.08 -0.59 -1.73 114.58 121.41 3hx5 h GLU 58 Ca 0.21 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 3hx5 h GLU 58 Cb 0.40 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3hx5 h GLU 58 CO 0.01 1.03 -0.28 0.87 -1.00 0.00 0.00 179.01 179.63 3hx5 h LYS 59 N 1.02 0.00 0.10 2.33 1.79 -0.66 -2.62 116.57 118.52 3hx5 h LYS 59 Ca 0.19 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.66 3hx5 h LYS 59 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3hx5 h LYS 59 CO 0.02 0.28 -0.05 -0.09 -1.08 0.00 0.00 179.45 178.54 3hx5 h ARG 60 N 0.00 -0.13 -0.08 3.15 2.43 -0.61 -2.07 114.38 117.07 3hx5 h ARG 60 Ca -0.00 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3hx5 h ARG 60 Cb 0.82 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3hx5 h ARG 60 CO 0.04 0.16 0.11 0.93 -1.51 0.00 0.00 179.97 179.70 3hx5 h GLU 61 N -0.42 0.00 0.27 0.20 5.08 -1.13 -2.22 114.58 116.36 3hx5 h GLU 61 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3hx5 h GLU 61 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3hx5 h GLU 61 CO 0.02 0.00 -0.13 0.78 -1.00 0.00 0.00 179.01 178.68 3hx5 h GLY 62 N 0.00 -0.38 1.94 -3.84 0.00 -1.01 -1.57 103.07 98.21 3hx5 h GLY 62 Ca 0.04 0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 3hx5 h GLY 62 CO -0.00 -0.14 -0.47 0.10 0.00 0.00 0.00 176.54 176.03 3hx5 h TYR 63 N -0.81 0.08 0.13 5.60 -0.00 -1.23 -1.83 116.97 118.92 3hx5 h TYR 63 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.66 3hx5 h TYR 63 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.23 3hx5 h TYR 63 CO 0.04 0.53 -0.06 0.93 -0.00 0.00 0.00 178.16 179.60 3hx5 h GLU 64 N 0.05 -0.17 -0.96 0.10 5.08 -1.45 0.10 114.58 117.33 3hx5 h GLU 64 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3hx5 h GLU 64 Cb 0.86 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 3hx5 h GLU 64 CO 0.06 -0.05 0.62 -0.09 -1.00 0.00 0.00 179.01 178.55 3hx5 h ARG 65 N -0.25 1.28 -0.57 2.33 2.43 -1.16 -0.06 114.38 118.38 3hx5 h ARG 65 Ca -0.02 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 3hx5 h ARG 65 Cb 0.20 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3hx5 h ARG 65 CO 0.03 0.87 0.22 -0.07 -1.51 0.00 0.00 179.97 179.51 3hx5 h LEU 66 N 1.31 0.79 -0.58 3.80 3.38 -0.95 -0.79 115.31 122.28 3hx5 h LEU 66 Ca 0.35 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 3hx5 h LEU 66 Cb -0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3hx5 h LEU 66 CO -0.07 0.75 -0.22 -0.07 0.09 0.00 0.00 178.44 178.92 3hx5 h LEU 67 N 0.79 0.92 -0.01 1.67 3.38 -0.34 0.15 115.31 121.87 3hx5 h LEU 67 Ca 0.19 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3hx5 h LEU 67 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hx5 h LEU 67 CO -0.01 1.11 -0.09 0.50 0.09 0.00 0.00 178.44 180.03 3hx5 h LYS 68 N 0.78 -0.15 -0.64 1.13 1.63 -0.71 -1.13 116.57 117.49 3hx5 h LYS 68 Ca 0.10 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.94 3hx5 h LYS 68 Cb 0.77 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.40 3hx5 h LYS 68 CO 0.06 -0.10 0.39 1.98 -3.45 0.00 0.00 179.45 178.34 3hx5 h MET 69 N -0.15 0.74 -0.29 1.90 4.05 -0.94 -1.58 114.93 118.67 3hx5 h MET 69 Ca 0.04 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.48 3hx5 h MET 69 Cb 0.20 -0.17 -0.07 0.00 -0.80 0.00 0.00 31.60 30.76 3hx5 h MET 69 CO -0.10 0.49 -0.23 0.37 0.23 0.00 0.00 176.91 177.67 3hx5 h GLN 70 N 0.76 -0.21 -0.68 0.39 5.75 0.18 -1.25 115.11 120.05 3hx5 h GLN 70 Ca 0.26 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.73 3hx5 h GLN 70 Cb 0.03 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 3hx5 h GLN 70 CO -0.11 -0.14 0.25 -0.91 -2.65 0.00 0.00 178.83 175.28 3hx5 h ASN 71 N -0.21 0.96 -0.34 -0.69 2.35 -0.66 -1.06 115.58 115.93 3hx5 h ASN 71 Ca 0.15 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3hx5 h ASN 71 Cb 0.45 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 3hx5 h ASN 71 CO -0.42 0.89 0.22 1.56 -1.65 0.00 0.00 177.43 178.03 3hx5 h GLN 72 N 0.98 0.44 0.00 0.81 4.20 -0.55 -1.64 115.11 119.35 3hx5 h GLN 72 Ca 0.22 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.78 3hx5 h GLN 72 Cb 0.24 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3hx5 h GLN 72 CO -0.01 0.29 -0.59 0.00 -0.67 0.00 0.00 178.83 177.86 3hx5 h ARG 73 N 0.46 0.00 0.00 1.46 2.47 -0.89 -3.47 114.38 114.41 3hx5 h ARG 73 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 3hx5 h ARG 73 Cb -0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 3hx5 h ARG 73 CO -0.03 0.59 0.00 0.41 0.56 0.00 0.00 179.97 181.50 3hx5 n GLY 74 N 0.98 1.13 3.90 0.04 0.00 -0.62 -3.84 105.19 106.78 3hx5 n GLY 74 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3hx5 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hx5 s GLY 75 N -1.81 1.62 -0.12 -0.02 0.00 -0.44 -4.61 107.32 101.95 3hx5 s GLY 75 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 44.01 3hx5 s GLY 75 CO 0.00 -0.20 -0.17 0.50 0.00 0.00 0.00 173.10 173.23 3hx5 s ARG 76 N -5.62 2.44 0.10 2.90 1.81 -1.26 -4.34 118.95 114.98 3hx5 s ARG 76 Ca 0.64 -0.64 -0.31 0.00 -1.72 0.00 0.00 55.73 53.70 3hx5 s ARG 76 Cb -0.10 -2.03 -0.07 0.00 -0.45 0.00 0.00 34.95 32.30 3hx5 s ARG 76 CO 0.50 -0.05 1.26 0.00 -0.68 0.00 0.00 175.30 176.33 3hx5 s ALA 77 N 0.93 3.46 -0.25 2.13 0.00 -1.26 -4.99 121.76 121.77 3hx5 s ALA 77 Ca -0.07 0.95 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 3hx5 s ALA 77 Cb -0.15 -3.47 0.08 0.00 0.00 0.00 0.00 23.12 19.58 3hx5 s ALA 77 CO -0.01 -0.48 0.03 -0.51 0.00 0.00 0.00 175.76 174.79 3hx5 s LEU 78 N 0.81 2.13 0.42 0.00 1.43 -1.26 -5.13 118.68 117.07 3hx5 s LEU 78 Ca 0.59 -1.27 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 3hx5 s LEU 78 Cb -0.32 -0.91 -0.07 0.00 0.03 0.00 0.00 46.19 44.91 3hx5 s LEU 78 CO 0.31 -0.33 0.82 -0.36 0.23 0.00 0.00 176.35 177.03 3hx5 s PHE 79 N 1.59 3.45 0.38 0.29 0.08 -1.26 -4.88 117.98 117.62 3hx5 s PHE 79 Ca 0.02 1.18 0.04 0.00 0.12 0.00 0.00 56.93 58.29 3hx5 s PHE 79 Cb -0.18 -2.55 -0.03 0.00 -0.57 0.00 0.00 43.02 39.69 3hx5 s PHE 79 CO -0.13 -0.14 0.15 -0.65 -0.10 0.00 0.00 175.22 174.35 3hx5 s GLN 80 N -3.76 1.84 0.38 0.44 -1.52 -1.26 -5.12 119.66 110.65 3hx5 s GLN 80 Ca 0.54 -2.10 -0.27 0.00 -1.95 0.00 0.00 55.36 51.58 3hx5 s GLN 80 Cb -0.10 -0.43 -0.09 0.00 -0.22 0.00 0.00 33.01 32.17 3hx5 s GLN 80 CO 0.29 -0.48 1.33 -0.51 -0.25 0.00 0.00 175.29 175.67 3hx5 s ASP 81 N -3.53 6.42 -0.48 5.90 1.01 -1.26 -4.97 116.67 119.75 3hx5 s ASP 81 Ca 0.28 2.72 -0.15 0.00 0.71 0.00 0.00 52.55 56.11 3hx5 s ASP 81 Cb 0.03 -2.65 0.09 0.00 1.01 0.00 0.00 42.92 41.40 3hx5 s ASP 81 CO 0.17 -0.78 0.41 -0.63 0.21 0.00 0.00 175.17 174.54 3hx5 s ILE 82 N -1.21 5.14 0.30 0.77 1.01 -1.26 -5.05 121.20 120.90 3hx5 s ILE 82 Ca 0.54 -1.20 -0.30 0.00 0.00 0.00 0.00 60.65 59.70 3hx5 s ILE 82 Cb -0.40 -4.13 -0.11 0.00 0.01 0.00 0.00 42.46 37.83 3hx5 s ILE 82 CO 0.52 -0.64 1.55 -0.54 0.00 0.00 0.00 174.94 175.82 3hx5 s LYS 83 N 1.61 4.15 1.07 2.79 1.02 -1.26 -4.98 119.74 124.14 3hx5 s LYS 83 Ca 0.04 2.53 -0.12 0.00 0.02 0.00 0.00 55.97 58.44 3hx5 s LYS 83 Cb -0.26 -3.03 0.23 0.00 -0.52 0.00 0.00 37.83 34.26 3hx5 s LYS 83 CO 0.05 -0.57 1.07 -1.59 -0.92 0.00 0.00 175.35 173.39 3hx5 s LYS 84 N -0.77 -0.23 0.38 1.68 -2.85 -1.26 -4.90 119.74 111.80 3hx5 s LYS 84 Ca 0.61 1.08 -0.27 0.00 -1.00 0.00 0.00 55.97 56.39 3hx5 s LYS 84 Cb -0.47 -1.62 -0.11 0.00 -2.06 0.00 0.00 37.83 33.58 3hx5 s LYS 84 CO 0.50 -3.33 1.35 -2.30 0.10 0.00 0.00 175.35 171.67 3hx5 n PRO 85 N -4.67 2.24 0.10 1.78 -0.02 -1.26 -4.87 135.00 128.30 3hx5 n PRO 85 Ca 0.06 0.79 0.08 0.00 -2.02 0.00 0.00 63.50 62.41 3hx5 n PRO 85 Cb 0.53 -2.46 0.39 0.00 -0.02 0.00 0.00 33.50 31.94 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 0.16 1.14 -2.27 3.55 0.00 -1.26 -4.70 120.51 117.13 3hx5 n ALA 86 Ca 0.04 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 3hx5 n ALA 86 Cb 0.38 -1.23 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 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 -3.33 1.34 0.00 0.00 0.41 -1.26 -5.04 118.70 110.82 3hx5 s GLU 87 Ca -0.00 -1.72 0.00 0.00 -0.41 0.00 0.00 54.97 52.84 3hx5 s GLU 87 Cb 0.05 -0.04 0.00 0.00 -1.78 0.00 0.00 34.13 32.36 3hx5 s GLU 87 CO 0.17 -0.34 0.00 -0.25 -0.49 0.00 0.00 175.26 174.34 3hx5 n ASP 88 N -0.42 2.53 -3.72 -0.19 8.00 -1.26 -4.97 116.55 116.51 3hx5 n ASP 88 Ca 0.01 -0.16 -0.14 0.00 0.71 0.00 0.00 54.79 55.22 3hx5 n ASP 88 Cb 0.66 0.82 -0.14 0.00 -0.02 0.00 0.00 41.12 42.44 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 -1.32 0.12 -0.09 -1.24 2.02 -1.26 -5.03 118.70 111.90 3hx5 s GLU 89 Ca 0.00 0.48 0.18 0.00 0.02 0.00 0.00 54.97 55.65 3hx5 s GLU 89 Cb 0.00 -0.16 0.67 0.00 0.10 0.00 0.00 34.13 34.73 3hx5 s GLU 89 CO 0.00 -0.20 1.58 0.91 0.02 0.00 0.00 175.26 177.57 3hx5 n TRP 90 N 4.48 1.30 0.00 1.61 7.02 -1.26 -5.06 117.44 125.52 3hx5 n TRP 90 Ca -0.21 -0.61 0.00 0.00 -1.02 0.00 0.00 57.50 55.66 3hx5 n TRP 90 Cb 0.52 -0.20 0.00 0.00 -2.42 0.00 0.00 31.31 29.21 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 1.03 2.40 3.92 6.99 0.00 -1.26 -3.66 105.19 114.61 3hx5 n GLY 91 Ca 0.24 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 2.85 0.18 1.61 1.02 -1.26 -4.94 119.74 119.19 3hx5 s LYS 92 Ca 0.00 -1.22 -0.27 0.00 0.02 0.00 0.00 55.97 54.50 3hx5 s LYS 92 Cb 0.00 -2.61 0.02 0.00 -0.52 0.00 0.00 37.83 34.72 3hx5 s LYS 92 CO 0.00 0.00 1.55 1.15 -0.92 0.00 0.00 175.35 177.13 3hx5 h THR 93 N 1.03 0.01 -0.81 2.17 2.02 -2.00 -1.13 112.91 114.20 3hx5 h THR 93 Ca -0.44 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.81 3hx5 h THR 93 Cb 1.26 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 3hx5 h THR 93 CO 0.55 0.00 0.53 -0.65 0.37 0.00 0.00 175.52 176.31 3hx5 h PRO 94 N -0.05 0.83 -0.07 6.66 0.11 -1.96 0.27 132.00 137.79 3hx5 h PRO 94 Ca 0.21 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 3hx5 h PRO 94 Cb 0.49 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 3hx5 h PRO 94 CO -0.90 0.55 -0.01 -0.44 -0.21 0.00 0.00 178.00 176.99 3hx5 h ASP 95 N 0.85 0.12 0.01 -2.05 5.19 -1.54 -1.35 116.42 117.66 3hx5 h ASP 95 Ca 0.35 -0.35 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 3hx5 h ASP 95 Cb 0.27 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 3hx5 h ASP 95 CO -0.13 0.44 -0.05 0.00 -3.12 0.00 0.00 179.24 176.38 3hx5 h ALA 96 N 0.69 -0.06 -0.89 3.45 0.00 -0.89 -1.70 119.26 119.85 3hx5 h ALA 96 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.03 3hx5 h ALA 96 Cb 0.38 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3hx5 h ALA 96 CO 0.01 -0.55 0.57 1.98 0.00 0.00 0.00 179.25 181.26 3hx5 h MET 97 N -0.09 0.82 -0.07 0.00 -1.53 -0.92 0.12 114.93 113.26 3hx5 h MET 97 Ca 0.02 -0.05 -0.09 0.00 -3.44 0.00 0.00 59.70 56.14 3hx5 h MET 97 Cb 0.12 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 30.97 3hx5 h MET 97 CO -0.05 0.55 -0.38 0.87 0.14 0.00 0.00 176.91 178.04 3hx5 h LYS 98 N 0.85 0.15 -0.32 0.39 1.57 -0.63 -0.11 116.57 118.47 3hx5 h LYS 98 Ca 0.42 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.95 3hx5 h LYS 98 Cb 0.46 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3hx5 h LYS 98 CO -0.18 0.51 -0.49 0.00 -0.57 0.00 0.00 179.45 178.71 3hx5 h ALA 99 N 1.49 0.50 -0.29 3.86 0.00 0.05 -2.06 119.26 122.80 3hx5 h ALA 99 Ca 0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3hx5 h ALA 99 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hx5 h ALA 99 CO 0.05 0.68 0.13 0.00 0.00 0.00 0.00 179.25 180.11 3hx5 h ALA 100 N 0.71 0.38 -0.53 0.00 0.00 -0.70 -0.50 119.26 118.62 3hx5 h ALA 100 Ca 0.03 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3hx5 h ALA 100 Cb 1.10 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3hx5 h ALA 100 CO 0.11 -0.05 0.21 1.98 0.00 0.00 0.00 179.25 181.50 3hx5 h MET 101 N 0.33 0.39 -0.48 0.00 -1.53 -0.95 0.02 114.93 112.71 3hx5 h MET 101 Ca 0.10 -0.02 -0.13 0.00 -3.44 0.00 0.00 59.70 56.20 3hx5 h MET 101 Cb 0.15 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.10 3hx5 h MET 101 CO -0.01 0.26 -0.21 0.00 0.14 0.00 0.00 176.91 177.08 3hx5 h ALA 102 N 1.34 0.67 -0.04 0.39 0.00 -1.16 -1.84 119.26 118.61 3hx5 h ALA 102 Ca 0.25 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hx5 h ALA 102 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hx5 h ALA 102 CO -0.24 0.66 -0.00 1.25 0.00 0.00 0.00 179.25 180.91 3hx5 h LEU 103 N 0.84 -0.02 -0.92 0.00 5.85 -0.41 -0.51 115.31 120.13 3hx5 h LEU 103 Ca 0.11 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3hx5 h LEU 103 Cb 0.80 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 3hx5 h LEU 103 CO 0.07 -0.01 0.35 -0.33 -0.34 0.00 0.00 178.44 178.18 3hx5 h GLU 104 N 0.01 1.12 -0.52 1.25 4.39 -0.99 -0.47 114.58 119.37 3hx5 h GLU 104 Ca 0.02 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 3hx5 h GLU 104 Cb 0.02 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 3hx5 h GLU 104 CO -0.04 0.88 0.15 0.87 -1.16 0.00 0.00 179.01 179.71 3hx5 h LYS 105 N 1.11 0.78 -0.09 2.33 1.57 -0.96 0.25 116.57 121.56 3hx5 h LYS 105 Ca 0.26 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3hx5 h LYS 105 Cb 0.15 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3hx5 h LYS 105 CO -0.03 0.69 0.02 -0.22 -0.57 0.00 0.00 179.45 179.34 3hx5 h LYS 106 N 0.76 0.15 0.17 3.15 3.64 -0.16 -1.01 116.57 123.26 3hx5 h LYS 106 Ca 0.17 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3hx5 h LYS 106 Cb 0.24 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3hx5 h LYS 106 CO -0.01 0.33 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.22 3hx5 h LEU 107 N -0.06 -0.60 -1.40 5.20 3.38 -0.67 -1.15 115.31 120.00 3hx5 h LEU 107 Ca 0.03 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.20 3hx5 h LEU 107 Cb 0.25 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 3hx5 h LEU 107 CO 0.00 -0.31 0.54 -1.13 0.09 0.00 0.00 178.44 177.63 3hx5 h ASN 108 N -0.44 0.56 -0.42 -0.43 -1.24 -0.42 0.12 115.58 113.31 3hx5 h ASN 108 Ca 0.01 0.03 -0.13 0.00 0.71 0.00 0.00 56.30 56.92 3hx5 h ASN 108 Cb 0.44 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 3hx5 h ASN 108 CO -0.09 0.29 -0.25 -0.61 -1.29 0.00 0.00 177.43 175.49 3hx5 h GLN 109 N 0.60 0.94 -0.49 6.67 5.75 -0.54 -0.82 115.11 127.22 3hx5 h GLN 109 Ca 0.41 -0.42 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 3hx5 h GLN 109 Cb 0.73 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.24 3hx5 h GLN 109 CO -0.17 1.08 0.02 0.00 -2.65 0.00 0.00 178.83 177.11 3hx5 h ALA 110 N 0.90 1.11 -0.34 3.38 0.00 0.35 0.68 119.26 125.34 3hx5 h ALA 110 Ca 0.10 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3hx5 h ALA 110 Cb 0.82 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3hx5 h ALA 110 CO 0.07 0.57 0.04 -0.07 0.00 0.00 0.00 179.25 179.86 3hx5 h LEU 111 N 0.76 0.56 -0.73 0.00 3.38 -0.60 -0.72 115.31 117.96 3hx5 h LEU 111 Ca 0.15 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 3hx5 h LEU 111 Cb 0.43 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3hx5 h LEU 111 CO 0.02 0.70 -0.08 -0.07 0.09 0.00 0.00 178.44 179.09 3hx5 h LEU 112 N 0.41 0.88 -0.60 1.67 3.38 -0.81 -0.18 115.31 120.05 3hx5 h LEU 112 Ca 0.10 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3hx5 h LEU 112 Cb 0.38 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3hx5 h LEU 112 CO 0.01 0.98 0.24 0.44 0.09 0.00 0.00 178.44 180.20 3hx5 h ASP 113 N 0.80 0.83 -0.49 -0.43 3.45 -0.72 0.22 116.42 120.08 3hx5 h ASP 113 Ca 0.14 -0.17 -0.04 0.00 0.43 0.00 0.00 57.03 57.38 3hx5 h ASP 113 Cb 0.59 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.12 3hx5 h ASP 113 CO 0.04 0.78 0.14 0.25 -1.57 0.00 0.00 179.24 178.88 3hx5 h LEU 114 N 0.83 0.73 -0.72 1.55 5.85 -0.78 -1.57 115.31 121.19 3hx5 h LEU 114 Ca 0.20 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3hx5 h LEU 114 Cb 0.21 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3hx5 h LEU 114 CO -0.02 0.75 0.24 -0.74 -0.34 0.00 0.00 178.44 178.34 3hx5 h HIS 115 N 0.66 1.15 -0.82 1.25 2.76 -0.75 -0.72 115.15 118.69 3hx5 h HIS 115 Ca 0.16 -0.11 0.04 0.00 -2.20 0.00 0.00 60.37 58.25 3hx5 h HIS 115 Cb 0.30 -0.34 -0.05 0.00 1.55 0.00 0.00 27.41 28.87 3hx5 h HIS 115 CO 0.02 0.91 0.52 0.00 -1.30 0.00 0.00 177.93 178.08 3hx5 h ALA 116 N 1.12 1.09 -0.41 5.26 0.00 -0.65 -0.95 119.26 124.71 3hx5 h ALA 116 Ca 0.24 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 3hx5 h ALA 116 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hx5 h ALA 116 CO -0.01 0.33 -0.30 1.25 0.00 0.00 0.00 179.25 180.52 3hx5 h LEU 117 N 1.01 0.94 -0.40 0.00 5.85 -0.71 -2.05 115.31 119.94 3hx5 h LEU 117 Ca 0.33 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3hx5 h LEU 117 Cb 0.04 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3hx5 h LEU 117 CO -0.12 1.16 0.21 1.23 -0.34 0.00 0.00 178.44 180.58 3hx5 h GLY 118 N 0.87 0.60 1.34 3.75 0.00 -0.63 -1.08 103.07 107.93 3hx5 h GLY 118 Ca 0.08 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.14 3hx5 h GLY 118 CO 0.08 0.27 0.44 1.76 0.00 0.00 0.00 176.54 179.09 3hx5 h SER 119 N 0.51 0.76 -0.32 0.19 0.02 -1.08 0.24 113.55 113.87 3hx5 h SER 119 Ca 0.14 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 3hx5 h SER 119 Cb 0.08 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3hx5 h SER 119 CO -0.02 0.55 -0.13 0.00 -1.14 0.00 0.00 176.83 176.09 3hx5 h ALA 120 N 1.59 1.00 -0.22 3.77 0.00 -0.68 -2.47 119.26 122.24 3hx5 h ALA 120 Ca 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hx5 h ALA 120 Cb -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3hx5 h ALA 120 CO -0.05 0.60 0.00 0.54 0.00 0.00 0.00 179.25 180.33 3hx5 n ARG 121 N -4.16 1.76 -3.73 0.00 5.12 -0.47 -4.93 116.66 110.24 3hx5 n ARG 121 Ca 0.01 -1.15 -0.29 0.00 -1.93 0.00 0.00 57.85 54.49 3hx5 n ARG 121 Cb 0.37 -1.36 0.03 0.00 -1.16 0.00 0.00 32.46 30.34 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 0.38 -5.22 -3.51 0.55 -2.24 -0.17 -4.94 114.28 99.14 3hx5 n THR 122 Ca 0.15 -0.84 -0.33 0.00 -2.27 0.00 0.00 64.05 60.76 3hx5 n THR 122 Cb 0.32 -3.98 -0.07 0.00 -2.10 0.00 0.00 70.33 64.50 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 -2.77 4.25 0.09 3.42 -0.08 -0.11 -4.94 116.55 116.42 3hx5 n ASP 123 Ca -0.15 -3.29 0.09 0.00 -1.51 0.00 0.00 54.79 49.92 3hx5 n ASP 123 Cb 0.62 -0.92 0.56 0.00 2.34 0.00 0.00 41.12 43.71 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 5.21 0.23 -0.17 -0.67 0.13 -1.92 -2.41 132.00 132.41 3hx5 h PRO 124 Ca 0.18 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 3hx5 h PRO 124 Cb 0.72 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 3hx5 h PRO 124 CO 0.91 0.15 0.07 1.25 -0.23 0.00 0.00 178.00 180.15 3hx5 h HIS 125 N 0.24 0.25 -0.33 1.56 2.76 -1.96 -1.20 115.15 116.46 3hx5 h HIS 125 Ca 0.12 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 3hx5 h HIS 125 Cb 0.19 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 3hx5 h HIS 125 CO -0.00 0.31 0.22 1.25 -1.30 0.00 0.00 177.93 178.41 3hx5 h LEU 126 N 0.12 0.39 -0.05 0.26 5.85 -1.89 -0.75 115.31 119.24 3hx5 h LEU 126 Ca 0.06 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3hx5 h LEU 126 Cb 0.16 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 3hx5 h LEU 126 CO -0.00 0.29 -0.30 0.00 -0.34 0.00 0.00 178.44 178.08 3hx5 h ASP 128 N -0.42 0.66 -0.53 0.00 3.58 -1.02 -1.91 116.42 116.78 3hx5 h ASP 128 Ca 0.07 0.02 0.07 0.00 0.42 0.00 0.00 57.03 57.62 3hx5 h ASP 128 Cb 0.53 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.40 3hx5 h ASP 128 CO -0.29 0.44 0.20 0.15 -2.88 0.00 0.00 179.24 176.86 3hx5 h PHE 129 N 0.80 0.35 -0.39 0.28 3.04 -0.55 -0.58 116.94 119.88 3hx5 h PHE 129 Ca 0.31 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.20 3hx5 h PHE 129 Cb 0.13 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 3hx5 h PHE 129 CO -0.06 0.11 -0.07 -0.07 -2.02 0.00 0.00 178.31 176.20 3hx5 h LEU 130 N 0.38 0.74 -0.26 0.59 3.38 -0.92 -2.37 115.31 116.85 3hx5 h LEU 130 Ca 0.26 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3hx5 h LEU 130 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hx5 h LEU 130 CO -0.26 0.92 0.11 -0.33 0.09 0.00 0.00 178.44 178.97 3hx5 h GLU 131 N 0.55 0.40 0.32 1.13 5.08 -1.01 0.67 114.58 121.72 3hx5 h GLU 131 Ca 0.10 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3hx5 h GLU 131 Cb 0.58 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3hx5 h GLU 131 CO 0.03 0.43 -0.15 1.15 -1.00 0.00 0.00 179.01 179.47 3hx5 h THR 132 N 0.28 0.71 0.00 1.13 2.02 -1.12 -3.37 112.91 112.56 3hx5 h THR 132 Ca 0.09 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3hx5 h THR 132 Cb 0.18 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3hx5 h THR 132 CO -0.01 0.08 -1.29 1.41 0.37 0.00 0.00 175.52 176.08 3hx5 n HIS 133 N -5.19 0.00 0.02 3.16 8.25 -0.90 -4.88 115.22 115.69 3hx5 n HIS 133 Ca -0.10 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.34 3hx5 n HIS 133 Cb 0.24 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 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 -1.74 0.00 -0.05 4.41 3.72 0.07 -4.66 117.46 119.21 3hx5 n PHE 134 Ca 0.01 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.27 3hx5 n PHE 134 Cb 0.38 -0.09 -0.10 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.14 -1.70 -1.61 4.37 3.38 -1.29 -1.23 115.31 117.10 3hx5 h LEU 135 Ca -0.02 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3hx5 h LEU 135 Cb 0.36 0.67 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3hx5 h LEU 135 CO -0.01 -0.44 0.01 -0.78 0.09 0.00 0.00 178.44 177.31 3hx5 h ASP 136 N -0.50 0.23 -0.08 -0.43 1.82 -1.84 -1.37 116.42 114.25 3hx5 h ASP 136 Ca 0.04 -0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 56.58 3hx5 h ASP 136 Cb 0.62 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 3hx5 h ASP 136 CO -0.47 0.27 -0.18 -0.33 -1.61 0.00 0.00 179.24 176.93 3hx5 h GLU 137 N 0.25 0.45 0.51 0.28 4.39 -1.67 -2.33 114.58 116.47 3hx5 h GLU 137 Ca 0.06 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 3hx5 h GLU 137 Cb 0.16 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3hx5 h GLU 137 CO 0.00 0.62 -0.25 0.93 -1.16 0.00 0.00 179.01 179.16 3hx5 h GLU 138 N 0.41 -0.66 -0.89 2.33 4.39 -0.14 -2.58 114.58 117.45 3hx5 h GLU 138 Ca 0.07 0.05 0.24 0.00 0.34 0.00 0.00 59.36 60.06 3hx5 h GLU 138 Cb 0.55 0.15 -0.14 0.00 -0.10 0.00 0.00 28.75 29.21 3hx5 h GLU 138 CO 0.04 -0.44 0.27 0.28 -1.16 0.00 0.00 179.01 177.99 3hx5 h VAL 139 N -0.98 0.31 -0.60 3.13 2.07 -1.44 0.48 116.25 119.21 3hx5 h VAL 139 Ca -0.07 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 3hx5 h VAL 139 Cb 0.53 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3hx5 h VAL 139 CO 0.12 0.04 0.13 0.11 0.02 0.00 0.00 177.57 177.99 3hx5 h LYS 140 N 0.22 0.95 -0.03 1.57 1.57 -1.46 -0.99 116.57 118.40 3hx5 h LYS 140 Ca 0.57 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 3hx5 h LYS 140 Cb 1.17 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3hx5 h LYS 140 CO -0.65 0.86 -0.06 1.25 -0.57 0.00 0.00 179.45 180.27 3hx5 h LEU 141 N 0.91 0.11 -0.26 2.94 5.85 0.24 -1.72 115.31 123.37 3hx5 h LEU 141 Ca 0.19 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.39 3hx5 h LEU 141 Cb 0.35 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 3hx5 h LEU 141 CO 0.00 0.66 -0.03 0.40 -0.34 0.00 0.00 178.44 179.13 3hx5 h ILE 142 N -0.44 0.77 -0.13 4.05 2.04 -0.75 0.11 117.51 123.16 3hx5 h ILE 142 Ca 0.00 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3hx5 h ILE 142 Cb 0.64 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3hx5 h ILE 142 CO 0.01 0.01 0.00 0.50 0.00 0.00 0.00 178.15 178.67 3hx5 h LYS 143 N 0.04 0.19 -0.02 2.37 1.63 -1.23 0.15 116.57 119.69 3hx5 h LYS 143 Ca 0.13 -0.02 -0.23 0.00 -0.85 0.00 0.00 60.65 59.68 3hx5 h LYS 143 Cb 0.18 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3hx5 h LYS 143 CO -0.24 0.21 -0.92 -0.22 -3.45 0.00 0.00 179.45 174.82 3hx5 h LYS 144 N 0.19 0.48 -0.49 1.90 3.64 -0.19 -2.27 116.57 119.83 3hx5 h LYS 144 Ca 0.05 -0.49 -0.13 0.00 -1.27 0.00 0.00 60.65 58.81 3hx5 h LYS 144 Cb 0.13 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3hx5 h LYS 144 CO 0.00 1.13 -0.21 0.52 -2.27 0.00 0.00 179.45 178.63 3hx5 h MET 145 N 0.28 1.00 -0.69 1.90 2.86 -0.16 -1.98 114.93 118.13 3hx5 h MET 145 Ca -0.08 -0.42 0.04 0.00 -2.06 0.00 0.00 59.70 57.17 3hx5 h MET 145 Cb 1.56 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 33.13 3hx5 h MET 145 CO 0.17 1.10 0.43 0.78 1.06 0.00 0.00 176.91 180.44 3hx5 h GLY 146 N 0.86 1.00 0.85 8.32 0.00 -0.68 0.33 103.07 113.76 3hx5 h GLY 146 Ca 0.11 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.16 3hx5 h GLY 146 CO 0.07 0.25 0.45 -0.55 0.00 0.00 0.00 176.54 176.76 3hx5 h ASP 147 N 0.82 0.74 0.09 0.19 3.32 -1.14 -1.66 116.42 118.78 3hx5 h ASP 147 Ca 0.29 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 3hx5 h ASP 147 Cb 0.06 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3hx5 h ASP 147 CO -0.12 0.51 -0.04 0.45 -1.72 0.00 0.00 179.24 178.31 3hx5 h HIS 148 N 0.88 -0.11 -0.59 4.55 3.86 -0.44 -1.54 115.15 121.75 3hx5 h HIS 148 Ca 0.29 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.58 3hx5 h HIS 148 Cb 0.03 0.04 -0.06 0.00 1.06 0.00 0.00 27.41 28.48 3hx5 h HIS 148 CO -0.04 0.00 0.26 -0.07 0.86 0.00 0.00 177.93 178.94 3hx5 h LEU 149 N -0.20 0.33 -0.95 2.43 3.38 -0.65 0.19 115.31 119.84 3hx5 h LEU 149 Ca -0.01 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3hx5 h LEU 149 Cb 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3hx5 h LEU 149 CO 0.02 0.21 0.34 0.74 0.09 0.00 0.00 178.44 179.84 3hx5 h THR 150 N 0.48 1.24 -0.00 0.22 2.02 -1.17 -0.16 112.91 115.54 3hx5 h THR 150 Ca 0.28 -0.71 -0.16 0.00 0.77 0.00 0.00 66.41 66.59 3hx5 h THR 150 Cb 0.28 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3hx5 h THR 150 CO -0.24 0.30 -0.76 0.78 0.37 0.00 0.00 175.52 175.97 3hx5 h ASN 151 N 1.08 0.04 -0.12 4.18 2.35 -0.37 -1.94 115.58 120.79 3hx5 h ASN 151 Ca 0.26 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 3hx5 h ASN 151 Cb 0.14 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 3hx5 h ASN 151 CO -0.03 0.78 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.33 3hx5 h LEU 152 N 0.02 0.33 -0.78 1.61 3.38 -0.16 -2.50 115.31 117.20 3hx5 h LEU 152 Ca -0.01 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 3hx5 h LEU 152 Cb 1.34 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 3hx5 h LEU 152 CO 0.10 0.75 0.46 -0.74 0.09 0.00 0.00 178.44 179.10 3hx5 h HIS 153 N -0.09 1.03 -0.68 1.13 2.76 -1.08 -1.91 115.15 116.32 3hx5 h HIS 153 Ca 0.02 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.29 3hx5 h HIS 153 Cb 0.66 -0.34 -0.04 0.00 1.55 0.00 0.00 27.41 29.24 3hx5 h HIS 153 CO 0.09 0.70 0.45 -0.09 -1.30 0.00 0.00 177.93 177.78 3hx5 h ARG 154 N 1.06 0.49 -1.76 5.26 2.43 -1.26 -2.86 114.38 117.75 3hx5 h ARG 154 Ca 0.28 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3hx5 h ARG 154 Cb -0.03 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3hx5 h ARG 154 CO -0.05 0.33 0.00 1.28 -1.51 0.00 0.00 179.97 180.01 3hx5 n LEU 155 N -4.48 3.10 -0.05 3.80 4.77 -0.72 -4.10 117.00 119.33 3hx5 n LEU 155 Ca 0.11 -1.43 -0.04 0.00 -0.03 0.00 0.00 56.01 54.62 3hx5 n LEU 155 Cb 0.38 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 3hx5 n LEU 155 CO 0.33 0.57 -0.33 0.61 -1.33 0.00 0.00 177.39 177.24 3hx5 n GLY 156 N 1.30 -0.56 0.00 -0.72 0.00 -1.08 -5.06 105.19 99.07 3hx5 n GLY 156 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 1.51 0.47 0.00 -0.02 0.00 -1.26 -5.21 105.19 100.68 3hx5 n GLY 157 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.01 3hx5 n GLY 157 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77