#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx5 s SER 2 N 0.00 4.01 0.30 6.12 1.04 -1.26 -5.12 113.70 118.80 3hx5 s SER 2 Ca 0.00 -0.96 -0.30 0.00 0.48 0.00 0.00 55.95 55.17 3hx5 s SER 2 Cb 0.00 -0.50 -0.12 0.00 0.10 0.00 0.00 66.02 65.50 3hx5 s SER 2 CO 0.00 -0.10 1.50 -0.24 0.98 0.00 0.00 173.24 175.38 3hx5 n SER 3 N -0.82 3.47 0.00 7.02 2.88 -1.26 -4.91 113.62 120.00 3hx5 n SER 3 Ca -0.05 1.16 0.09 0.00 -1.33 0.00 0.00 58.87 58.74 3hx5 n SER 3 Cb 0.61 -1.55 0.41 0.00 -0.75 0.00 0.00 64.21 62.94 3hx5 n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hx5 n GLN 4 N 1.70 0.08 0.00 -1.46 10.64 -1.26 -2.41 117.38 124.68 3hx5 n GLN 4 Ca 0.08 0.16 0.04 0.00 -1.83 0.00 0.00 57.00 55.45 3hx5 n GLN 4 Cb 0.36 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.20 3hx5 n GLN 4 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3hx5 n ILE 5 N -1.43 0.00 -1.88 -0.39 -5.35 -1.26 -5.03 119.36 104.02 3hx5 n ILE 5 Ca 0.06 -0.32 -0.40 0.00 -0.27 0.00 0.00 62.75 61.82 3hx5 n ILE 5 Cb 0.19 1.02 -0.00 0.00 -1.74 0.00 0.00 39.64 39.11 3hx5 n ILE 5 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3hx5 s ARG 6 N -1.72 4.02 -0.28 6.28 3.52 -1.01 -4.80 118.95 124.96 3hx5 s ARG 6 Ca 0.04 2.42 -0.20 0.00 -0.13 0.00 0.00 55.73 57.87 3hx5 s ARG 6 Cb 0.07 -2.88 0.12 0.00 -1.56 0.00 0.00 34.95 30.70 3hx5 s ARG 6 CO 0.33 -0.55 0.95 -1.14 -0.81 0.00 0.00 175.30 174.09 3hx5 s GLN 7 N -2.16 0.49 -0.05 5.12 0.74 -1.26 -4.94 119.66 117.60 3hx5 s GLN 7 Ca 0.55 0.72 0.00 0.00 0.05 0.00 0.00 55.36 56.68 3hx5 s GLN 7 Cb -0.44 0.16 0.00 0.00 1.10 0.00 0.00 33.01 33.84 3hx5 s GLN 7 CO 0.58 -0.08 0.00 -1.71 -0.55 0.00 0.00 175.29 173.53 3hx5 n ASN 8 N 3.17 -4.63 -4.35 6.67 5.15 -1.26 -4.89 115.26 115.11 3hx5 n ASN 8 Ca -0.16 0.01 -0.45 0.00 -0.60 0.00 0.00 54.58 53.38 3hx5 n ASN 8 Cb 0.57 -2.86 -0.07 0.00 -0.53 0.00 0.00 39.78 36.90 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 -0.82 3.25 0.75 1.20 5.04 -1.26 -4.78 117.35 120.73 3hx5 s TYR 9 Ca 0.00 -1.10 -0.13 0.00 -2.44 0.00 0.00 57.07 53.40 3hx5 s TYR 9 Cb 0.00 -3.43 0.05 0.00 0.35 0.00 0.00 41.96 38.93 3hx5 s TYR 9 CO 0.00 -0.89 1.13 -1.54 -1.34 0.00 0.00 175.55 172.91 3hx5 s SER 10 N 3.01 4.32 0.23 4.32 1.04 -1.26 -4.92 113.70 120.45 3hx5 s SER 10 Ca 0.04 2.06 0.25 0.00 0.48 0.00 0.00 55.95 58.78 3hx5 s SER 10 Cb -0.27 -2.55 0.53 0.00 0.10 0.00 0.00 66.02 63.83 3hx5 s SER 10 CO 0.05 -2.16 1.57 0.71 0.98 0.00 0.00 173.24 174.38 3hx5 h THR 11 N -0.73 0.00 -0.23 2.02 1.35 -1.98 -2.29 112.91 111.05 3hx5 h THR 11 Ca -0.45 -0.63 -0.10 0.00 -0.55 0.00 0.00 66.41 64.67 3hx5 h THR 11 Cb 1.26 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 69.16 3hx5 h THR 11 CO 0.50 0.00 -0.26 0.44 -0.25 0.00 0.00 175.52 175.95 3hx5 h ASP 12 N 0.00 0.62 0.67 5.36 3.45 -1.99 -2.52 116.42 122.01 3hx5 h ASP 12 Ca 0.00 -0.49 -0.03 0.00 0.43 0.00 0.00 57.03 56.94 3hx5 h ASP 12 Cb 0.82 -0.18 0.01 0.00 -0.56 0.00 0.00 39.33 39.42 3hx5 h ASP 12 CO 0.00 0.99 -0.32 0.58 -1.57 0.00 0.00 179.24 178.92 3hx5 h VAL 13 N 0.27 0.14 -1.00 -1.35 2.07 -1.92 -1.19 116.25 113.28 3hx5 h VAL 13 Ca 0.03 -0.30 0.38 0.00 0.82 0.00 0.00 66.70 67.62 3hx5 h VAL 13 Cb 0.83 0.18 -0.18 0.00 -1.52 0.00 0.00 31.29 30.61 3hx5 h VAL 13 CO 0.06 0.02 0.43 -0.08 0.02 0.00 0.00 177.57 178.02 3hx5 h GLU 14 N -1.16 0.04 -0.13 1.57 4.81 -1.47 1.00 114.58 119.24 3hx5 h GLU 14 Ca -0.09 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.97 3hx5 h GLU 14 Cb 0.72 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.09 3hx5 h GLU 14 CO 0.15 0.03 -0.56 0.00 -0.73 0.00 0.00 179.01 177.89 3hx5 h ALA 15 N 1.98 0.24 -0.19 2.92 0.00 -1.38 -2.92 119.26 119.91 3hx5 h ALA 15 Ca 0.78 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3hx5 h ALA 15 Cb 1.96 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 3hx5 h ALA 15 CO -0.78 0.47 -0.14 0.00 0.00 0.00 0.00 179.25 178.80 3hx5 h ALA 16 N 0.51 1.40 0.47 0.00 0.00 0.21 -2.44 119.26 119.41 3hx5 h ALA 16 Ca -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3hx5 h ALA 16 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hx5 h ALA 16 CO 0.12 0.41 -0.22 0.28 0.00 0.00 0.00 179.25 179.84 3hx5 h VAL 17 N 0.30 0.46 -0.96 0.00 2.07 -0.53 -1.28 116.25 116.30 3hx5 h VAL 17 Ca 0.06 -0.40 0.25 0.00 0.82 0.00 0.00 66.70 67.43 3hx5 h VAL 17 Cb 0.43 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3hx5 h VAL 17 CO 0.03 0.06 0.66 0.78 0.02 0.00 0.00 177.57 179.11 3hx5 h ASN 18 N -0.89 0.23 -0.05 0.57 2.35 -1.44 0.37 115.58 116.72 3hx5 h ASN 18 Ca -0.06 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3hx5 h ASN 18 Cb 0.58 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.94 3hx5 h ASN 18 CO 0.11 0.07 -0.13 -1.28 -1.65 0.00 0.00 177.43 174.55 3hx5 h SER 19 N 0.22 0.20 -0.83 5.81 0.87 -1.23 -2.39 113.55 116.21 3hx5 h SER 19 Ca 0.49 -0.59 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 3hx5 h SER 19 Cb 1.55 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 63.41 3hx5 h SER 19 CO -0.12 0.75 0.49 0.25 -0.53 0.00 0.00 176.83 177.67 3hx5 h LEU 20 N -0.34 1.00 -0.89 2.23 5.85 0.12 -0.28 115.31 123.00 3hx5 h LEU 20 Ca -0.00 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.75 3hx5 h LEU 20 Cb 0.73 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 3hx5 h LEU 20 CO 0.03 0.78 0.53 0.58 -0.34 0.00 0.00 178.44 180.01 3hx5 h VAL 21 N 1.14 0.91 -0.40 1.05 2.07 -0.30 0.23 116.25 120.95 3hx5 h VAL 21 Ca 0.30 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3hx5 h VAL 21 Cb -0.03 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 3hx5 h VAL 21 CO -0.05 0.16 -0.09 -1.13 0.02 0.00 0.00 177.57 176.48 3hx5 h ASN 22 N 0.86 0.77 -0.59 0.57 -0.73 -0.67 -2.02 115.58 113.77 3hx5 h ASN 22 Ca 0.43 -0.36 0.01 0.00 1.87 0.00 0.00 56.30 58.25 3hx5 h ASN 22 Cb 0.41 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.76 3hx5 h ASN 22 CO -0.25 0.95 0.39 0.25 -0.37 0.00 0.00 177.43 178.39 3hx5 h LEU 23 N 0.57 0.67 -0.12 0.34 5.85 0.28 0.02 115.31 122.93 3hx5 h LEU 23 Ca 0.10 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3hx5 h LEU 23 Cb 0.61 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3hx5 h LEU 23 CO 0.04 0.48 -0.24 1.88 -0.34 0.00 0.00 178.44 180.26 3hx5 h TYR 24 N 0.79 0.47 -0.96 1.25 -1.99 -0.84 -0.46 116.97 115.23 3hx5 h TYR 24 Ca 0.22 -0.17 0.10 0.00 2.00 0.00 0.00 58.73 60.87 3hx5 h TYR 24 Cb -0.08 -0.09 -0.08 0.00 2.00 0.00 0.00 36.73 38.49 3hx5 h TYR 24 CO -0.00 0.86 0.60 -0.07 -0.00 0.00 0.00 178.16 179.54 3hx5 h LEU 25 N -0.06 0.90 -0.50 3.88 3.38 -0.94 0.65 115.31 122.62 3hx5 h LEU 25 Ca 0.00 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3hx5 h LEU 25 Cb 0.83 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3hx5 h LEU 25 CO 0.05 0.51 0.07 -0.61 0.09 0.00 0.00 178.44 178.56 3hx5 h GLN 26 N 1.00 0.84 -0.19 1.13 4.15 -0.84 -0.65 115.11 120.54 3hx5 h GLN 26 Ca 0.45 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 3hx5 h GLN 26 Cb 0.37 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3hx5 h GLN 26 CO -0.23 0.84 0.08 0.00 -1.93 0.00 0.00 178.83 177.58 3hx5 h ALA 27 N 0.97 0.25 -0.51 3.38 0.00 0.73 -1.32 119.26 122.75 3hx5 h ALA 27 Ca 0.15 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3hx5 h ALA 27 Cb 0.41 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 3hx5 h ALA 27 CO 0.01 -0.17 0.01 1.03 0.00 0.00 0.00 179.25 180.14 3hx5 h SER 28 N 0.16 -0.20 -0.62 0.00 0.87 0.46 0.21 113.55 114.43 3hx5 h SER 28 Ca 0.06 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3hx5 h SER 28 Cb 0.16 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 3hx5 h SER 28 CO -0.01 -0.07 0.32 0.22 -0.53 0.00 0.00 176.83 176.77 3hx5 h TYR 29 N 0.13 0.86 -0.94 2.24 3.20 -0.83 0.64 116.97 122.26 3hx5 h TYR 29 Ca 0.26 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 3hx5 h TYR 29 Cb 0.39 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 3hx5 h TYR 29 CO -0.31 0.64 0.56 1.15 -1.64 0.00 0.00 178.16 178.56 3hx5 h THR 30 N 0.84 1.26 -0.18 1.81 2.02 -0.03 -1.54 112.91 117.09 3hx5 h THR 30 Ca 0.21 -0.58 -0.16 0.00 0.77 0.00 0.00 66.41 66.66 3hx5 h THR 30 Cb 0.07 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 3hx5 h THR 30 CO -0.03 0.28 -0.56 1.88 0.37 0.00 0.00 175.52 177.45 3hx5 h TYR 31 N 1.30 0.70 -0.59 3.16 0.05 -0.44 -1.45 116.97 119.70 3hx5 h TYR 31 Ca 0.34 -0.25 0.02 0.00 0.05 0.00 0.00 58.73 58.89 3hx5 h TYR 31 Cb -0.05 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 37.53 3hx5 h TYR 31 CO 0.01 0.99 0.36 1.25 -1.05 0.00 0.00 178.16 179.72 3hx5 h LEU 32 N 0.42 0.60 -0.26 3.88 5.85 -0.28 0.40 115.31 125.93 3hx5 h LEU 32 Ca 0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3hx5 h LEU 32 Cb 1.11 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3hx5 h LEU 32 CO 0.11 0.42 0.05 -1.28 -0.34 0.00 0.00 178.44 177.39 3hx5 h SER 33 N 0.72 0.40 -0.90 1.25 0.87 -1.15 -2.74 113.55 112.00 3hx5 h SER 33 Ca 0.24 -0.25 0.06 0.00 -1.23 0.00 0.00 61.79 60.60 3hx5 h SER 33 Cb 0.01 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 61.80 3hx5 h SER 33 CO -0.09 0.56 0.57 -0.07 -0.53 0.00 0.00 176.83 177.26 3hx5 h LEU 34 N 0.24 0.90 0.61 2.23 3.38 -0.79 -1.38 115.31 120.50 3hx5 h LEU 34 Ca 0.08 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3hx5 h LEU 34 Cb 0.32 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hx5 h LEU 34 CO 0.00 0.58 -0.33 1.23 0.09 0.00 0.00 178.44 180.01 3hx5 h GLY 35 N 1.04 -0.92 2.00 0.83 0.00 -0.75 -2.71 103.07 102.55 3hx5 h GLY 35 Ca 0.39 0.36 0.00 0.00 0.00 0.00 0.00 47.33 48.08 3hx5 h GLY 35 CO -0.17 -0.33 0.00 0.74 0.00 0.00 0.00 176.54 176.78 3hx5 h PHE 36 N -0.87 0.00 -0.21 5.60 -1.00 -1.32 -2.58 116.94 116.56 3hx5 h PHE 36 Ca -0.08 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.49 3hx5 h PHE 36 Cb 0.69 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.25 3hx5 h PHE 36 CO -0.06 0.00 -0.69 -0.92 -1.61 0.00 0.00 178.31 175.03 3hx5 h TYR 37 N 0.00 1.08 0.00 -0.55 3.20 -0.93 -3.02 116.97 116.75 3hx5 h TYR 37 Ca 0.00 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3hx5 h TYR 37 Cb 0.31 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3hx5 h TYR 37 CO 0.00 1.27 0.00 1.19 -1.64 0.00 0.00 178.16 178.98 3hx5 n PHE 38 N -3.96 0.00 0.84 -3.82 3.72 -0.98 -2.54 117.46 110.72 3hx5 n PHE 38 Ca -0.06 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.45 3hx5 n PHE 38 Cb 0.70 -0.27 0.15 0.00 -0.94 0.00 0.00 39.48 39.12 3hx5 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx5 n ASP 39 N -1.27 0.61 -4.75 4.37 4.64 -1.14 -1.54 116.55 117.47 3hx5 n ASP 39 Ca 0.13 -0.27 -0.42 0.00 -1.38 0.00 0.00 54.79 52.85 3hx5 n ASP 39 Cb 0.21 0.44 -0.02 0.00 -1.04 0.00 0.00 41.12 40.72 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 -3.07 4.13 0.56 -0.67 0.52 -1.05 -4.59 118.95 114.78 3hx5 s ARG 40 Ca 0.08 2.57 0.30 0.00 -0.52 0.00 0.00 55.73 58.16 3hx5 s ARG 40 Cb 0.16 -3.03 1.46 0.00 0.52 0.00 0.00 34.95 34.05 3hx5 s ARG 40 CO 0.74 -0.64 1.87 0.38 0.02 0.00 0.00 175.30 177.68 3hx5 h ASP 41 N 5.12 0.00 -0.11 0.23 2.03 -1.90 0.53 116.42 122.31 3hx5 h ASP 41 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 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 0.81 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 178.12 3hx5 n ASP 42 N -3.98 1.16 0.02 4.15 3.85 -1.26 -4.13 116.55 116.37 3hx5 n ASP 42 Ca 0.14 -1.62 0.00 0.00 -0.71 0.00 0.00 54.79 52.60 3hx5 n ASP 42 Cb 0.84 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.54 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 -0.01 0.38 -3.47 2.12 0.31 0.14 -5.09 118.33 112.70 3hx5 n VAL 43 Ca 0.15 0.13 -0.25 0.00 -0.01 0.00 0.00 64.34 64.36 3hx5 n VAL 43 Cb 0.25 -1.37 0.01 0.00 -0.91 0.00 0.00 33.84 31.82 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 -3.13 -2.41 -3.35 3.52 0.00 0.14 -4.96 120.51 110.31 3hx5 n ALA 44 Ca 0.00 -0.09 -0.26 0.00 0.00 0.00 0.00 53.44 53.10 3hx5 n ALA 44 Cb 0.27 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.69 1.16 0.16 0.00 4.77 -0.59 -4.96 117.00 115.86 3hx5 n LEU 45 Ca -0.22 -4.86 0.18 0.00 -0.03 0.00 0.00 56.01 51.09 3hx5 n LEU 45 Cb 0.59 0.18 0.68 0.00 -2.33 0.00 0.00 43.42 42.54 3hx5 n LEU 45 CO 0.52 1.99 1.16 -0.08 -1.33 0.00 0.00 177.39 179.66 3hx5 h GLU 46 N 4.50 0.00 0.52 3.23 4.81 -1.93 0.00 114.58 125.71 3hx5 h GLU 46 Ca 0.15 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3hx5 h GLU 46 Cb 0.82 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.21 3hx5 h GLU 46 CO 0.56 0.00 -0.25 0.78 -0.73 0.00 0.00 179.01 179.37 3hx5 h GLY 47 N 0.00 -0.73 0.87 1.92 0.00 -1.94 -1.85 103.07 101.34 3hx5 h GLY 47 Ca 0.15 0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.78 3hx5 h GLY 47 CO -0.00 -0.27 0.57 -2.08 0.00 0.00 0.00 176.54 174.76 3hx5 h VAL 48 N -1.17 1.14 0.51 4.60 2.07 -1.68 -1.54 116.25 120.18 3hx5 h VAL 48 Ca -0.07 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3hx5 h VAL 48 Cb 0.55 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3hx5 h VAL 48 CO 0.12 0.20 -0.47 -1.28 0.02 0.00 0.00 177.57 176.16 3hx5 h SER 49 N 1.11 -1.26 -0.93 0.57 0.87 -1.09 -1.98 113.55 110.84 3hx5 h SER 49 Ca 0.35 0.10 0.12 0.00 -1.23 0.00 0.00 61.79 61.13 3hx5 h SER 49 Cb 0.01 0.41 -0.08 0.00 -0.44 0.00 0.00 62.40 62.29 3hx5 h SER 49 CO -0.12 -0.64 0.56 -0.74 -0.53 0.00 0.00 176.83 175.36 3hx5 h HIS 50 N -0.97 1.01 -0.01 2.24 6.17 -1.13 0.14 115.15 122.59 3hx5 h HIS 50 Ca -0.06 0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.09 3hx5 h HIS 50 Cb 0.84 -0.31 -0.06 0.00 2.52 0.00 0.00 27.41 30.40 3hx5 h HIS 50 CO -0.22 0.37 -0.40 0.35 0.71 0.00 0.00 177.93 178.74 3hx5 h PHE 51 N 0.87 -1.13 -0.12 5.26 3.57 -0.78 -0.28 116.94 124.34 3hx5 h PHE 51 Ca 0.47 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.93 3hx5 h PHE 51 Cb 0.51 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 3hx5 h PHE 51 CO -0.03 -0.48 -0.28 0.74 -2.23 0.00 0.00 178.31 176.03 3hx5 h PHE 52 N -0.55 0.23 -0.01 0.41 0.05 -0.72 -2.01 116.94 114.34 3hx5 h PHE 52 Ca 0.05 -0.05 -0.06 0.00 3.82 0.00 0.00 57.97 61.73 3hx5 h PHE 52 Cb 0.63 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.52 3hx5 h PHE 52 CO -0.41 0.48 -0.29 0.00 -0.18 0.00 0.00 178.31 177.91 3hx5 h ARG 53 N 0.19 0.02 -0.15 1.51 3.08 -0.27 -1.20 114.38 117.56 3hx5 h ARG 53 Ca 0.03 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3hx5 h ARG 53 Cb 0.61 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 3hx5 h ARG 53 CO 0.04 0.31 -0.11 0.93 -1.07 0.00 0.00 179.97 180.08 3hx5 h GLU 54 N 0.02 0.33 -0.74 0.04 5.08 -0.36 -2.80 114.58 116.14 3hx5 h GLU 54 Ca 0.00 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3hx5 h GLU 54 Cb 0.53 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 3hx5 h GLU 54 CO 0.04 0.69 0.49 -0.07 -1.00 0.00 0.00 179.01 179.16 3hx5 h LEU 55 N -0.03 0.81 -0.74 1.33 3.38 -1.07 -0.12 115.31 118.87 3hx5 h LEU 55 Ca 0.03 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3hx5 h LEU 55 Cb 0.61 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3hx5 h LEU 55 CO 0.03 0.57 0.47 0.00 0.09 0.00 0.00 178.44 179.60 3hx5 h ALA 56 N 1.56 0.97 0.00 1.53 0.00 -1.08 -0.29 119.26 121.94 3hx5 h ALA 56 Ca 0.29 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3hx5 h ALA 56 Cb -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3hx5 h ALA 56 CO -0.07 0.27 -0.50 1.49 0.00 0.00 0.00 179.25 180.44 3hx5 h GLU 57 N 0.93 0.00 -0.06 0.00 4.57 -1.02 -1.96 114.58 117.04 3hx5 h GLU 57 Ca 0.29 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.45 3hx5 h GLU 57 Cb -0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3hx5 h GLU 57 CO -0.10 0.50 -0.04 0.93 -1.18 0.00 0.00 179.01 179.12 3hx5 h GLU 58 N 0.00 0.14 -0.92 1.92 5.08 -0.10 -2.42 114.58 118.29 3hx5 h GLU 58 Ca -0.01 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3hx5 h GLU 58 Cb 1.00 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.20 3hx5 h GLU 58 CO 0.07 0.54 0.60 0.87 -1.00 0.00 0.00 179.01 180.09 3hx5 h LYS 59 N -0.27 1.09 -0.39 2.33 1.79 -0.98 0.17 116.57 120.31 3hx5 h LYS 59 Ca 0.01 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 3hx5 h LYS 59 Cb 0.51 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 3hx5 h LYS 59 CO 0.01 0.72 0.15 -0.09 -1.08 0.00 0.00 179.45 179.16 3hx5 h ARG 60 N 1.13 0.55 0.00 3.15 2.43 -1.26 -0.06 114.38 120.33 3hx5 h ARG 60 Ca 0.38 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.39 3hx5 h ARG 60 Cb 0.07 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3hx5 h ARG 60 CO -0.12 0.47 -0.39 0.93 -1.51 0.00 0.00 179.97 179.35 3hx5 h GLU 61 N 0.55 0.00 0.55 0.20 5.08 -0.51 -2.56 114.58 117.89 3hx5 h GLU 61 Ca 0.14 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3hx5 h GLU 61 Cb 0.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 3hx5 h GLU 61 CO -0.01 0.39 -0.26 0.78 -1.00 0.00 0.00 179.01 178.90 3hx5 h GLY 62 N 2.44 -0.77 2.00 -3.84 0.00 0.34 -1.91 103.07 101.33 3hx5 h GLY 62 Ca -0.00 0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 3hx5 h GLY 62 CO 0.05 -0.28 -0.10 0.10 0.00 0.00 0.00 176.54 176.31 3hx5 h TYR 63 N -1.15 0.00 0.00 5.60 -0.00 -1.43 -0.57 116.97 119.42 3hx5 h TYR 63 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.52 3hx5 h TYR 63 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.31 3hx5 h TYR 63 CO 0.01 0.10 -0.62 0.93 -0.00 0.00 0.00 178.16 178.57 3hx5 h GLU 64 N 0.00 0.00 0.01 0.10 5.08 -1.48 0.20 114.58 118.50 3hx5 h GLU 64 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 3hx5 h GLU 64 Cb 0.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.48 3hx5 h GLU 64 CO 0.01 0.62 -0.85 -0.09 -1.00 0.00 0.00 179.01 177.71 3hx5 h ARG 65 N 0.00 0.55 -0.65 2.33 2.43 -0.31 -2.35 114.38 116.37 3hx5 h ARG 65 Ca -0.01 -0.61 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 3hx5 h ARG 65 Cb 1.24 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.93 3hx5 h ARG 65 CO 0.08 1.23 0.43 -0.07 -1.51 0.00 0.00 179.97 180.13 3hx5 h LEU 66 N 0.13 0.76 -0.94 3.80 3.38 -1.14 0.87 115.31 122.17 3hx5 h LEU 66 Ca -0.11 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 3hx5 h LEU 66 Cb 1.54 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 3hx5 h LEU 66 CO 0.17 0.56 -0.20 -0.07 0.09 0.00 0.00 178.44 178.98 3hx5 h LEU 67 N 0.89 0.54 -0.24 1.67 3.38 -0.98 -0.21 115.31 120.37 3hx5 h LEU 67 Ca 0.24 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3hx5 h LEU 67 Cb -0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3hx5 h LEU 67 CO -0.05 0.75 -0.25 0.50 0.09 0.00 0.00 178.44 179.48 3hx5 h LYS 68 N 0.49 0.58 -0.39 1.13 1.63 -0.87 -2.62 116.57 116.52 3hx5 h LYS 68 Ca 0.08 -0.31 0.01 0.00 -0.85 0.00 0.00 60.65 59.57 3hx5 h LYS 68 Cb 0.62 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 3hx5 h LYS 68 CO 0.04 0.91 0.26 1.98 -3.45 0.00 0.00 179.45 179.19 3hx5 h MET 69 N 0.28 0.51 -0.44 1.90 4.05 -0.62 -2.10 114.93 118.51 3hx5 h MET 69 Ca 0.04 -0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.52 3hx5 h MET 69 Cb 0.81 -0.11 -0.09 0.00 -0.80 0.00 0.00 31.60 31.40 3hx5 h MET 69 CO 0.06 0.34 -0.23 0.37 0.23 0.00 0.00 176.91 177.68 3hx5 h GLN 70 N 0.52 -0.13 0.00 0.39 5.75 -0.93 0.73 115.11 121.44 3hx5 h GLN 70 Ca 0.15 0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.60 3hx5 h GLN 70 Cb -0.05 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 3hx5 h GLN 70 CO -0.04 -0.09 -0.29 -0.91 -2.65 0.00 0.00 178.83 174.86 3hx5 h ASN 71 N -0.14 0.00 -0.24 -0.69 4.21 -1.15 -1.32 115.58 116.25 3hx5 h ASN 71 Ca 0.21 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.59 3hx5 h ASN 71 Cb 0.46 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.65 3hx5 h ASN 71 CO -0.52 0.29 -0.29 1.56 -1.29 0.00 0.00 177.43 177.17 3hx5 h GLN 72 N 0.00 0.74 0.00 0.81 4.20 -0.22 -2.83 115.11 117.80 3hx5 h GLN 72 Ca -0.00 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.38 3hx5 h GLN 72 Cb 0.60 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3hx5 h GLN 72 CO 0.04 0.94 0.00 0.54 -0.67 0.00 0.00 178.83 179.68 3hx5 n ARG 73 N -4.08 0.11 -0.12 1.46 5.12 -0.49 -4.91 116.66 113.75 3hx5 n ARG 73 Ca -0.01 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 3hx5 n ARG 73 Cb 0.47 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 3hx5 n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hx5 n GLY 74 N 1.21 0.55 2.76 -0.13 0.00 -1.07 -4.07 105.19 104.44 3hx5 n GLY 74 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 -2.85 2.82 -0.02 0.00 -0.52 -4.54 105.19 98.08 3hx5 n GLY 75 Ca 0.00 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.39 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 -4.94 0.31 0.15 1.61 1.81 -1.26 -4.47 118.95 112.16 3hx5 s ARG 76 Ca 0.56 0.08 -0.30 0.00 -1.72 0.00 0.00 55.73 54.35 3hx5 s ARG 76 Cb -0.06 -0.50 -0.08 0.00 -0.45 0.00 0.00 34.95 33.87 3hx5 s ARG 76 CO 0.43 -0.14 1.22 0.00 -0.68 0.00 0.00 175.30 176.13 3hx5 s ALA 77 N 1.06 3.45 -0.14 2.13 0.00 -1.26 -4.94 121.76 122.05 3hx5 s ALA 77 Ca -0.09 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 52.80 3hx5 s ALA 77 Cb -0.13 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.59 3hx5 s ALA 77 CO -0.02 -0.41 0.00 -0.51 0.00 0.00 0.00 175.76 174.82 3hx5 s LEU 78 N 0.15 1.05 0.19 0.00 1.43 -1.26 -5.14 118.68 115.10 3hx5 s LEU 78 Ca 0.55 -0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 53.08 3hx5 s LEU 78 Cb -0.32 -0.61 -0.06 0.00 0.03 0.00 0.00 46.19 45.22 3hx5 s LEU 78 CO 0.35 -0.24 0.46 -0.36 0.23 0.00 0.00 176.35 176.79 3hx5 s PHE 79 N 1.85 3.45 0.30 0.29 0.08 -1.26 -4.89 117.98 117.81 3hx5 s PHE 79 Ca 0.02 0.69 0.04 0.00 0.12 0.00 0.00 56.93 57.80 3hx5 s PHE 79 Cb -0.15 -2.11 -0.06 0.00 -0.57 0.00 0.00 43.02 40.13 3hx5 s PHE 79 CO -0.07 0.35 0.04 -0.65 -0.10 0.00 0.00 175.22 174.79 3hx5 s GLN 80 N -2.78 1.57 0.60 0.44 -1.52 -1.26 -5.12 119.66 111.58 3hx5 s GLN 80 Ca 0.44 -1.85 -0.20 0.00 -1.95 0.00 0.00 55.36 51.80 3hx5 s GLN 80 Cb -0.12 -0.82 -0.04 0.00 -0.22 0.00 0.00 33.01 31.82 3hx5 s GLN 80 CO 0.23 -0.15 1.22 -0.25 -0.25 0.00 0.00 175.29 176.09 3hx5 n ASP 81 N -0.61 1.92 -4.36 5.90 10.43 -1.26 -4.95 116.55 123.61 3hx5 n ASP 81 Ca -0.03 0.88 -0.41 0.00 2.57 0.00 0.00 54.79 57.80 3hx5 n ASP 81 Cb 0.66 -1.51 -0.10 0.00 1.84 0.00 0.00 41.12 42.00 3hx5 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx5 s ILE 82 N -1.38 4.71 0.22 0.53 1.01 -1.26 -5.05 121.20 119.98 3hx5 s ILE 82 Ca 0.77 -0.99 -0.32 0.00 0.00 0.00 0.00 60.65 60.10 3hx5 s ILE 82 Cb -0.41 -3.72 -0.12 0.00 0.01 0.00 0.00 42.46 38.22 3hx5 s ILE 82 CO 0.45 -0.37 1.70 1.17 0.00 0.00 0.00 174.94 177.89 3hx5 n LYS 83 N 5.04 2.74 -1.22 2.79 4.81 -1.26 -4.96 118.16 126.10 3hx5 n LYS 83 Ca -0.11 0.98 -0.34 0.00 -0.87 0.00 0.00 58.31 57.97 3hx5 n LYS 83 Cb 0.45 -2.82 0.12 0.00 0.02 0.00 0.00 35.03 32.80 3hx5 n LYS 83 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3hx5 s LYS 84 N 0.91 1.80 0.68 1.64 -2.85 -1.26 -4.88 119.74 115.78 3hx5 s LYS 84 Ca 0.74 1.75 -0.17 0.00 -1.00 0.00 0.00 55.97 57.29 3hx5 s LYS 84 Cb -0.51 -1.79 -0.03 0.00 -2.06 0.00 0.00 37.83 33.43 3hx5 s LYS 84 CO 0.35 -2.09 0.71 -2.30 0.10 0.00 0.00 175.35 172.12 3hx5 n PRO 85 N -3.13 0.47 0.21 1.78 -0.02 -1.26 -4.88 135.00 128.16 3hx5 n PRO 85 Ca 0.13 0.20 0.15 0.00 -2.02 0.00 0.00 63.50 61.96 3hx5 n PRO 85 Cb 0.50 -1.97 0.70 0.00 -0.02 0.00 0.00 33.50 32.71 3hx5 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx5 h ALA 86 N -0.14 1.00 -2.48 3.55 0.00 -1.97 -3.44 119.26 115.78 3hx5 h ALA 86 Ca -0.46 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 3hx5 h ALA 86 Cb 1.35 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 3hx5 h ALA 86 CO 0.46 0.00 -0.53 -1.21 0.00 0.00 0.00 179.25 177.97 3hx5 s GLU 87 N -3.61 0.96 -0.09 0.00 0.41 -1.26 -5.03 118.70 110.07 3hx5 s GLU 87 Ca -0.00 -1.30 0.12 0.00 -0.41 0.00 0.00 54.97 53.38 3hx5 s GLU 87 Cb 0.09 0.29 -0.17 0.00 -1.78 0.00 0.00 34.13 32.56 3hx5 s GLU 87 CO 0.36 -0.30 0.12 -0.25 -0.49 0.00 0.00 175.26 174.70 3hx5 n ASP 88 N -0.11 1.98 -4.00 -0.19 8.00 -1.26 -4.94 116.55 116.03 3hx5 n ASP 88 Ca -0.08 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.22 3hx5 n ASP 88 Cb 0.63 1.06 -0.16 0.00 -0.02 0.00 0.00 41.12 42.64 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 -2.50 1.00 -0.02 -1.24 2.02 -1.26 -5.00 118.70 111.70 3hx5 s GLU 89 Ca -0.06 -0.31 0.16 0.00 0.02 0.00 0.00 54.97 54.78 3hx5 s GLU 89 Cb 0.05 -0.93 0.48 0.00 0.10 0.00 0.00 34.13 33.84 3hx5 s GLU 89 CO 0.52 0.11 1.40 0.91 0.02 0.00 0.00 175.26 178.22 3hx5 n TRP 90 N 3.31 0.78 -4.55 1.61 7.02 -1.26 -5.09 117.44 119.27 3hx5 n TRP 90 Ca -0.18 -0.54 0.00 0.00 -1.02 0.00 0.00 57.50 55.76 3hx5 n TRP 90 Cb 0.54 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 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 0.90 1.38 3.91 6.99 0.00 -1.26 -3.90 105.19 113.21 3hx5 n GLY 91 Ca 0.18 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 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 3.02 0.20 1.61 1.02 -1.26 -4.89 119.74 119.45 3hx5 s LYS 92 Ca 0.00 0.10 -0.13 0.00 0.02 0.00 0.00 55.97 55.96 3hx5 s LYS 92 Cb 0.00 -2.25 0.24 0.00 -0.52 0.00 0.00 37.83 35.30 3hx5 s LYS 92 CO 0.00 -0.66 1.66 1.15 -0.92 0.00 0.00 175.35 176.58 3hx5 h THR 93 N -0.18 0.50 -0.43 2.17 2.02 -2.00 -1.35 112.91 113.65 3hx5 h THR 93 Ca -0.45 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 66.77 3hx5 h THR 93 Cb 1.25 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3hx5 h THR 93 CO 0.61 0.01 0.29 -0.65 0.37 0.00 0.00 175.52 176.16 3hx5 h PRO 94 N 0.08 0.25 -0.08 6.66 0.11 -1.95 -0.55 132.00 136.51 3hx5 h PRO 94 Ca 0.29 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 66.14 3hx5 h PRO 94 Cb 0.46 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 31.52 3hx5 h PRO 94 CO -0.52 0.17 -0.91 -0.44 -0.21 0.00 0.00 178.00 176.09 3hx5 h ASP 95 N 0.26 0.94 -0.76 -2.05 5.19 -1.57 -2.48 116.42 115.95 3hx5 h ASP 95 Ca 0.19 -0.68 -0.01 0.00 -0.62 0.00 0.00 57.03 55.91 3hx5 h ASP 95 Cb 0.43 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.62 3hx5 h ASP 95 CO -0.04 1.48 0.44 0.00 -3.12 0.00 0.00 179.24 178.00 3hx5 h ALA 96 N 0.48 0.97 -0.50 3.45 0.00 -0.59 -1.48 119.26 121.59 3hx5 h ALA 96 Ca -0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3hx5 h ALA 96 Cb 1.55 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3hx5 h ALA 96 CO 0.18 0.45 -0.02 1.98 0.00 0.00 0.00 179.25 181.85 3hx5 h MET 97 N 1.04 0.90 -0.93 0.00 -1.53 -1.13 -1.86 114.93 111.41 3hx5 h MET 97 Ca 0.27 -0.29 -0.01 0.00 -3.44 0.00 0.00 59.70 56.23 3hx5 h MET 97 Cb -0.00 -0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 30.92 3hx5 h MET 97 CO -0.05 0.94 0.56 0.87 0.14 0.00 0.00 176.91 179.36 3hx5 h LYS 98 N 0.76 1.26 0.15 0.39 1.57 -1.06 0.23 116.57 119.88 3hx5 h LYS 98 Ca 0.14 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3hx5 h LYS 98 Cb 0.54 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3hx5 h LYS 98 CO 0.03 0.89 -0.07 0.00 -0.57 0.00 0.00 179.45 179.72 3hx5 h ALA 99 N 1.33 -0.21 -0.90 3.86 0.00 -1.02 -1.76 119.26 120.57 3hx5 h ALA 99 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3hx5 h ALA 99 Cb -0.05 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3hx5 h ALA 99 CO -0.06 -0.60 0.58 0.00 0.00 0.00 0.00 179.25 179.17 3hx5 h ALA 100 N 0.60 1.33 0.40 0.00 0.00 -0.74 0.05 119.26 120.89 3hx5 h ALA 100 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hx5 h ALA 100 Cb 0.19 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hx5 h ALA 100 CO 0.03 0.61 -0.33 1.98 0.00 0.00 0.00 179.25 181.54 3hx5 h MET 101 N 1.23 -0.71 -0.58 0.00 -1.53 -0.30 -0.91 114.93 112.13 3hx5 h MET 101 Ca 0.33 0.05 0.05 0.00 -3.44 0.00 0.00 59.70 56.69 3hx5 h MET 101 Cb -0.12 0.16 -0.05 0.00 -0.55 0.00 0.00 31.60 31.05 3hx5 h MET 101 CO -0.07 -0.47 0.32 0.00 0.14 0.00 0.00 176.91 176.82 3hx5 h ALA 102 N -0.27 0.76 -0.75 0.39 0.00 -0.99 -0.95 119.26 117.44 3hx5 h ALA 102 Ca -0.03 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3hx5 h ALA 102 Cb 0.64 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 3hx5 h ALA 102 CO -0.02 -0.01 0.40 1.25 0.00 0.00 0.00 179.25 180.87 3hx5 h LEU 103 N 0.60 0.55 -0.26 0.00 5.85 -0.72 -0.13 115.31 121.21 3hx5 h LEU 103 Ca 0.26 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.95 3hx5 h LEU 103 Cb 0.14 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3hx5 h LEU 103 CO -0.16 0.32 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.78 3hx5 h GLU 104 N 0.68 0.56 -0.99 1.25 4.39 -0.48 -2.31 114.58 117.68 3hx5 h GLU 104 Ca 0.37 -0.25 0.05 0.00 0.34 0.00 0.00 59.36 59.86 3hx5 h GLU 104 Cb 0.35 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 3hx5 h GLU 104 CO -0.25 0.82 0.65 0.87 -1.16 0.00 0.00 179.01 179.93 3hx5 h LYS 105 N 0.29 1.18 -0.04 2.33 1.57 -0.61 0.26 116.57 121.54 3hx5 h LYS 105 Ca 0.06 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3hx5 h LYS 105 Cb 0.66 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3hx5 h LYS 105 CO 0.04 0.78 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.46 3hx5 h LYS 106 N 1.21 -0.02 -0.35 3.15 3.64 -0.89 0.38 116.57 123.68 3hx5 h LYS 106 Ca 0.41 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.75 3hx5 h LYS 106 Cb 0.08 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3hx5 h LYS 106 CO -0.15 -0.02 0.04 -0.07 -2.27 0.00 0.00 179.45 176.99 3hx5 h LEU 107 N -0.03 0.49 -0.12 5.20 3.38 -0.77 -0.67 115.31 122.80 3hx5 h LEU 107 Ca 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3hx5 h LEU 107 Cb 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3hx5 h LEU 107 CO -0.06 0.54 0.04 -1.13 0.09 0.00 0.00 178.44 177.92 3hx5 h ASN 108 N 0.52 0.17 -0.83 -0.43 -1.24 0.18 -0.39 115.58 113.56 3hx5 h ASN 108 Ca 0.12 -0.18 0.06 0.00 0.71 0.00 0.00 56.30 57.01 3hx5 h ASN 108 Cb 0.27 -0.04 -0.06 0.00 0.73 0.00 0.00 38.32 39.22 3hx5 h ASN 108 CO 0.00 0.30 0.51 -0.61 -1.29 0.00 0.00 177.43 176.35 3hx5 h GLN 109 N 0.02 0.90 -0.79 6.67 5.75 -0.34 0.50 115.11 127.82 3hx5 h GLN 109 Ca 0.04 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3hx5 h GLN 109 Cb 0.19 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 3hx5 h GLN 109 CO -0.00 0.60 0.48 0.00 -2.65 0.00 0.00 178.83 177.25 3hx5 h ALA 110 N 1.39 1.01 -0.48 3.38 0.00 -0.77 0.99 119.26 124.78 3hx5 h ALA 110 Ca 0.36 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 3hx5 h ALA 110 Cb 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3hx5 h ALA 110 CO -0.17 0.47 -0.22 -0.07 0.00 0.00 0.00 179.25 179.26 3hx5 h LEU 111 N 1.08 1.00 0.14 0.00 3.38 0.70 -1.04 115.31 120.57 3hx5 h LEU 111 Ca 0.28 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3hx5 h LEU 111 Cb -0.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.43 3hx5 h LEU 111 CO -0.05 1.17 -0.07 -0.07 0.09 0.00 0.00 178.44 179.51 3hx5 h LEU 112 N 0.84 -0.16 -1.07 1.67 3.38 0.41 -0.21 115.31 120.18 3hx5 h LEU 112 Ca 0.11 -0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.06 3hx5 h LEU 112 Cb 0.79 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 3hx5 h LEU 112 CO 0.07 0.03 0.62 0.44 0.09 0.00 0.00 178.44 179.69 3hx5 h ASP 113 N -0.34 0.90 -0.06 -0.43 3.45 -0.74 0.24 116.42 119.43 3hx5 h ASP 113 Ca -0.02 0.04 -0.15 0.00 0.43 0.00 0.00 57.03 57.33 3hx5 h ASP 113 Cb 0.27 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 3hx5 h ASP 113 CO 0.03 0.50 -0.45 0.25 -1.57 0.00 0.00 179.24 178.01 3hx5 h LEU 114 N 0.98 0.65 -0.46 1.55 5.85 -1.01 -1.53 115.31 121.35 3hx5 h LEU 114 Ca 0.47 -0.31 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 3hx5 h LEU 114 Cb 0.44 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3hx5 h LEU 114 CO -0.23 1.01 -0.13 -0.74 -0.34 0.00 0.00 178.44 178.01 3hx5 h HIS 115 N 0.49 1.02 -0.07 1.25 2.76 0.93 -1.45 115.15 120.08 3hx5 h HIS 115 Ca 0.03 -0.23 0.02 0.00 -2.20 0.00 0.00 60.37 58.00 3hx5 h HIS 115 Cb 0.98 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 3hx5 h HIS 115 CO 0.04 1.00 -0.07 0.00 -1.30 0.00 0.00 177.93 177.60 3hx5 h ALA 116 N 0.87 -0.02 0.00 5.26 0.00 -0.48 -1.14 119.26 123.74 3hx5 h ALA 116 Ca 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hx5 h ALA 116 Cb 0.69 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3hx5 h ALA 116 CO 0.05 -0.55 -0.01 1.25 0.00 0.00 0.00 179.25 179.99 3hx5 h LEU 117 N -0.10 0.00 -0.31 0.00 5.85 -1.14 -1.77 115.31 117.84 3hx5 h LEU 117 Ca 0.05 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.57 3hx5 h LEU 117 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3hx5 h LEU 117 CO -0.13 0.01 -0.75 1.23 -0.34 0.00 0.00 178.44 178.47 3hx5 h GLY 118 N 0.05 0.61 0.71 3.75 0.00 -0.19 -2.33 103.07 105.68 3hx5 h GLY 118 Ca -0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 3hx5 h GLY 118 CO 0.00 0.77 -0.00 1.76 0.00 0.00 0.00 176.54 179.07 3hx5 h SER 119 N 0.38 0.07 -0.63 0.19 0.02 -0.44 0.74 113.55 113.88 3hx5 h SER 119 Ca -0.04 -0.32 0.11 0.00 -0.84 0.00 0.00 61.79 60.71 3hx5 h SER 119 Cb 1.34 -0.02 -0.08 0.00 0.14 0.00 0.00 62.40 63.78 3hx5 h SER 119 CO 0.14 0.38 0.18 0.00 -1.14 0.00 0.00 176.83 176.39 3hx5 h ALA 120 N 0.70 0.79 -0.15 3.77 0.00 -1.38 0.14 119.26 123.13 3hx5 h ALA 120 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hx5 h ALA 120 Cb 0.34 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hx5 h ALA 120 CO 0.00 -0.26 0.00 0.54 0.00 0.00 0.00 179.25 179.53 3hx5 n ARG 121 N -5.08 1.38 -3.94 0.00 5.12 -0.88 -4.92 116.66 108.35 3hx5 n ARG 121 Ca 0.10 -0.59 -0.33 0.00 -1.93 0.00 0.00 57.85 55.10 3hx5 n ARG 121 Cb 0.33 -1.17 -0.00 0.00 -1.16 0.00 0.00 32.46 30.46 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 -0.05 -3.60 -3.68 0.55 -2.24 0.49 -4.95 114.28 100.80 3hx5 n THR 122 Ca 0.07 -0.67 -0.37 0.00 -2.27 0.00 0.00 64.05 60.81 3hx5 n THR 122 Cb 0.15 -2.89 -0.08 0.00 -2.10 0.00 0.00 70.33 65.40 3hx5 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx5 s ASP 123 N -3.91 5.46 0.34 3.42 -1.08 0.21 -4.95 116.67 116.16 3hx5 s ASP 123 Ca 0.26 -3.01 0.11 0.00 -0.52 0.00 0.00 52.55 49.38 3hx5 s ASP 123 Cb -0.11 -1.89 0.60 0.00 -1.46 0.00 0.00 42.92 40.06 3hx5 s ASP 123 CO 0.91 -0.35 1.76 1.55 0.52 0.00 0.00 175.17 179.57 3hx5 h PRO 124 N 6.88 0.07 -0.33 4.34 0.13 -1.92 -2.83 132.00 138.35 3hx5 h PRO 124 Ca 0.03 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 3hx5 h PRO 124 Cb 0.93 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 3hx5 h PRO 124 CO 0.74 0.47 0.16 1.25 -0.23 0.00 0.00 178.00 180.39 3hx5 h HIS 125 N 0.06 0.47 -0.47 1.56 2.76 -1.96 -0.01 115.15 117.56 3hx5 h HIS 125 Ca 0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3hx5 h HIS 125 Cb 0.75 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 3hx5 h HIS 125 CO 0.00 0.40 0.29 1.25 -1.30 0.00 0.00 177.93 178.58 3hx5 h LEU 126 N 0.39 0.55 -0.37 0.26 5.85 -1.93 -0.40 115.31 119.65 3hx5 h LEU 126 Ca 0.11 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3hx5 h LEU 126 Cb 0.11 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3hx5 h LEU 126 CO -0.01 0.42 0.10 0.00 -0.34 0.00 0.00 178.44 178.60 3hx5 h ASP 128 N 0.23 0.35 -1.00 0.00 3.58 -0.74 -0.54 116.42 118.30 3hx5 h ASP 128 Ca 0.18 -0.13 0.15 0.00 0.42 0.00 0.00 57.03 57.65 3hx5 h ASP 128 Cb 0.19 -0.09 -0.09 0.00 1.72 0.00 0.00 39.33 41.05 3hx5 h ASP 128 CO -0.21 0.39 0.62 0.15 -2.88 0.00 0.00 179.24 177.31 3hx5 h PHE 129 N 0.29 1.10 -0.06 0.28 3.04 -0.52 0.86 116.94 121.95 3hx5 h PHE 129 Ca 0.09 0.03 -0.24 0.00 3.98 0.00 0.00 57.97 61.83 3hx5 h PHE 129 Cb 0.13 -0.34 0.01 0.00 2.56 0.00 0.00 35.95 38.32 3hx5 h PHE 129 CO -0.02 0.35 -0.92 -0.07 -2.02 0.00 0.00 178.31 175.62 3hx5 h LEU 130 N 0.88 0.86 -0.42 0.59 3.38 -0.68 -2.89 115.31 117.03 3hx5 h LEU 130 Ca 0.54 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3hx5 h LEU 130 Cb 0.69 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3hx5 h LEU 130 CO -0.32 1.43 0.13 -0.33 0.09 0.00 0.00 178.44 179.44 3hx5 h GLU 131 N 0.42 0.65 0.14 1.13 5.08 -0.07 -0.32 114.58 121.61 3hx5 h GLU 131 Ca -0.09 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3hx5 h GLU 131 Cb 1.56 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.72 3hx5 h GLU 131 CO 0.18 0.64 -0.07 1.15 -1.00 0.00 0.00 179.01 179.91 3hx5 h THR 132 N 0.53 1.03 -0.04 1.13 2.02 -0.94 -3.36 112.91 113.27 3hx5 h THR 132 Ca 0.13 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.38 3hx5 h THR 132 Cb 0.26 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3hx5 h THR 132 CO -0.00 0.21 0.00 1.41 0.37 0.00 0.00 175.52 177.51 3hx5 n HIS 133 N -4.97 0.02 0.05 3.16 8.25 -1.09 -4.86 115.22 115.80 3hx5 n HIS 133 Ca -0.09 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3hx5 n HIS 133 Cb 0.25 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 1.04 -0.71 -0.25 4.41 3.72 -0.80 -4.70 117.46 120.17 3hx5 n PHE 134 Ca 0.11 0.12 0.06 0.00 -0.05 0.00 0.00 57.45 57.69 3hx5 n PHE 134 Cb 0.46 0.27 0.19 0.00 -0.94 0.00 0.00 39.48 39.46 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 0.08 -0.04 4.37 3.38 -1.23 -2.21 115.31 119.66 3hx5 h LEU 135 Ca 0.00 0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 3hx5 h LEU 135 Cb 0.23 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.16 3hx5 h LEU 135 CO 0.00 -0.01 -0.47 -0.78 0.09 0.00 0.00 178.44 177.27 3hx5 h ASP 136 N 0.31 0.48 -0.75 -0.43 -0.00 -1.84 -2.62 116.42 111.56 3hx5 h ASP 136 Ca 0.43 -0.71 0.20 0.00 -0.00 0.00 0.00 57.03 56.95 3hx5 h ASP 136 Cb 0.72 -0.14 -0.04 0.00 -0.00 0.00 0.00 39.33 39.87 3hx5 h ASP 136 CO -0.49 1.12 0.53 -0.33 -0.00 0.00 0.00 179.24 180.06 3hx5 h GLU 137 N -0.11 0.13 0.13 0.28 4.39 -1.79 0.55 114.58 118.16 3hx5 h GLU 137 Ca -0.05 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.41 3hx5 h GLU 137 Cb 1.15 -0.03 0.03 0.00 -0.10 0.00 0.00 28.75 29.80 3hx5 h GLU 137 CO 0.09 0.09 -1.01 0.93 -1.16 0.00 0.00 179.01 177.95 3hx5 h GLU 138 N 0.14 0.45 -0.72 2.33 4.39 -1.37 -1.75 114.58 118.04 3hx5 h GLU 138 Ca 0.37 -0.66 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 3hx5 h GLU 138 Cb 1.25 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 30.09 3hx5 h GLU 138 CO -0.05 1.29 0.42 0.28 -1.16 0.00 0.00 179.01 179.78 3hx5 h VAL 139 N -0.06 1.21 -0.06 3.13 2.07 -0.85 0.22 116.25 121.92 3hx5 h VAL 139 Ca -0.16 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3hx5 h VAL 139 Cb 1.75 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3hx5 h VAL 139 CO 0.19 0.23 -0.02 0.11 0.02 0.00 0.00 177.57 178.10 3hx5 h LYS 140 N 0.99 0.11 -0.84 1.57 1.57 -1.03 -2.17 116.57 116.78 3hx5 h LYS 140 Ca 0.26 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 3hx5 h LYS 140 Cb 0.00 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 3hx5 h LYS 140 CO -0.04 0.48 0.55 1.25 -0.57 0.00 0.00 179.45 181.11 3hx5 h LEU 141 N -0.25 0.91 -0.81 2.94 5.85 -1.03 -0.57 115.31 122.35 3hx5 h LEU 141 Ca 0.01 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 3hx5 h LEU 141 Cb 0.44 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3hx5 h LEU 141 CO 0.01 0.64 -0.22 0.40 -0.34 0.00 0.00 178.44 178.92 3hx5 h ILE 142 N 1.07 1.27 -0.31 4.05 2.04 -0.51 -1.95 117.51 123.16 3hx5 h ILE 142 Ca 0.32 -1.29 -0.10 0.00 1.00 0.00 0.00 64.86 64.80 3hx5 h ILE 142 Cb -0.02 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3hx5 h ILE 142 CO -0.09 0.42 -0.18 0.50 0.00 0.00 0.00 178.15 178.80 3hx5 h LYS 143 N 0.57 0.67 -0.82 2.37 1.63 -0.64 -0.51 116.57 119.83 3hx5 h LYS 143 Ca 0.08 -0.31 0.04 0.00 -0.85 0.00 0.00 60.65 59.62 3hx5 h LYS 143 Cb 0.69 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.25 3hx5 h LYS 143 CO 0.05 0.90 0.52 -0.22 -3.45 0.00 0.00 179.45 177.25 3hx5 h LYS 144 N 0.43 0.95 -0.25 1.90 3.64 -0.93 0.42 116.57 122.73 3hx5 h LYS 144 Ca 0.07 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 3hx5 h LYS 144 Cb 0.72 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3hx5 h LYS 144 CO 0.05 0.63 -0.49 0.52 -2.27 0.00 0.00 179.45 177.89 3hx5 h MET 145 N 0.98 0.67 -0.76 1.90 2.86 -1.22 -0.77 114.93 118.59 3hx5 h MET 145 Ca 0.34 -0.39 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3hx5 h MET 145 Cb 0.07 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 3hx5 h MET 145 CO -0.14 1.01 0.37 0.78 1.06 0.00 0.00 176.91 179.99 3hx5 h GLY 146 N 0.95 1.17 0.75 8.32 0.00 -0.03 -0.14 103.07 114.09 3hx5 h GLY 146 Ca 0.03 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 3hx5 h GLY 146 CO 0.10 0.54 -0.06 -0.55 0.00 0.00 0.00 176.54 176.56 3hx5 h ASP 147 N 1.08 -0.15 -0.57 0.19 3.32 -0.71 -2.31 116.42 117.27 3hx5 h ASP 147 Ca 0.26 -0.21 0.11 0.00 0.02 0.00 0.00 57.03 57.22 3hx5 h ASP 147 Cb 0.11 0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.61 3hx5 h ASP 147 CO -0.03 0.12 0.08 0.45 -1.72 0.00 0.00 179.24 178.14 3hx5 h HIS 148 N -0.44 0.11 -0.93 4.55 3.86 -0.68 -0.57 115.15 121.05 3hx5 h HIS 148 Ca -0.02 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3hx5 h HIS 148 Cb 0.35 0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.81 3hx5 h HIS 148 CO 0.01 -0.07 0.56 -0.07 0.86 0.00 0.00 177.93 179.22 3hx5 h LEU 149 N 0.20 1.13 -1.06 2.43 3.38 -0.95 0.74 115.31 121.17 3hx5 h LEU 149 Ca 0.30 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 3hx5 h LEU 149 Cb 0.45 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3hx5 h LEU 149 CO -0.42 0.87 -0.43 0.74 0.09 0.00 0.00 178.44 179.29 3hx5 h THR 150 N 1.29 1.16 0.10 0.22 2.02 -0.71 -0.89 112.91 116.10 3hx5 h THR 150 Ca 0.33 -1.55 -0.29 0.00 0.77 0.00 0.00 66.41 65.68 3hx5 h THR 150 Cb -0.05 1.87 0.02 0.00 -1.74 0.00 0.00 68.15 68.26 3hx5 h THR 150 CO -0.06 0.42 -1.20 0.78 0.37 0.00 0.00 175.52 175.82 3hx5 h ASN 151 N 0.00 0.78 -0.29 4.18 2.35 -0.49 -3.01 115.58 119.11 3hx5 h ASN 151 Ca -0.00 -0.72 -0.05 0.00 -0.55 0.00 0.00 56.30 54.98 3hx5 h ASN 151 Cb 0.84 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 3hx5 h ASN 151 CO 0.06 1.53 0.00 -0.07 -1.65 0.00 0.00 177.43 177.30 3hx5 h LEU 152 N 0.25 0.49 -1.94 1.61 3.38 -0.63 -2.24 115.31 116.24 3hx5 h LEU 152 Ca -0.17 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3hx5 h LEU 152 Cb 1.88 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 3hx5 h LEU 152 CO 0.22 0.68 -0.07 -0.74 0.09 0.00 0.00 178.44 178.63 3hx5 h HIS 153 N 0.29 0.00 -0.00 1.13 2.76 -1.27 -2.41 115.15 115.65 3hx5 h HIS 153 Ca 0.08 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.08 3hx5 h HIS 153 Cb 0.42 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 3hx5 h HIS 153 CO 0.03 0.07 -0.80 -0.09 -1.30 0.00 0.00 177.93 175.84 3hx5 h ARG 154 N 0.00 0.11 -0.13 5.26 2.43 -1.33 -3.24 114.38 117.47 3hx5 h ARG 154 Ca -0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3hx5 h ARG 154 Cb 0.12 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3hx5 h ARG 154 CO 0.01 0.85 0.00 1.28 -1.51 0.00 0.00 179.97 180.60 3hx5 n LEU 155 N -3.66 0.13 -4.09 3.80 4.77 -0.87 -4.21 117.00 112.87 3hx5 n LEU 155 Ca -0.02 -0.07 -0.36 0.00 -0.03 0.00 0.00 56.01 55.54 3hx5 n LEU 155 Cb 0.76 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.71 3hx5 n LEU 155 CO 0.46 0.03 0.29 -0.83 -1.33 0.00 0.00 177.39 176.02 3hx5 s GLY 156 N -1.14 3.02 0.00 -0.72 0.00 -1.23 -4.95 107.32 102.31 3hx5 s GLY 156 Ca 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 44.72 40.93 3hx5 s GLY 156 CO 0.00 1.18 0.00 0.61 0.00 0.00 0.00 173.10 174.89 3hx5 n GLY 157 N 2.41 0.17 3.76 0.20 0.00 -1.26 -5.08 105.19 105.38 3hx5 n GLY 157 Ca 0.20 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 3hx5 n GLY 157 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hx5 s PRO 158 N -0.58 2.96 0.00 1.61 0.04 -1.26 -5.14 135.00 132.62 3hx5 s PRO 158 Ca 0.00 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.78 3hx5 s PRO 158 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3hx5 s PRO 158 CO 0.00 -1.20 0.00 -1.91 0.04 0.00 0.00 177.00 173.93