#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 -0.02 0.21 6.12 1.04 -1.26 -5.14 113.70 114.65 3hx5 s SER 2 Ca 0.00 -0.47 -0.31 0.00 0.48 0.00 0.00 55.95 55.64 3hx5 s SER 2 Cb 0.00 0.38 -0.15 0.00 0.10 0.00 0.00 66.02 66.35 3hx5 s SER 2 CO 0.00 -0.74 1.17 -0.24 0.98 0.00 0.00 173.24 174.42 3hx5 n SER 3 N 0.03 1.61 0.05 7.02 2.88 -1.26 -4.87 113.62 119.07 3hx5 n SER 3 Ca -0.16 1.15 0.08 0.00 -1.33 0.00 0.00 58.87 58.61 3hx5 n SER 3 Cb 0.62 -1.28 0.35 0.00 -0.75 0.00 0.00 64.21 63.15 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 1.55 0.07 0.00 -1.46 10.64 -1.26 -2.18 117.38 124.74 3hx5 n GLN 4 Ca 0.13 0.36 0.04 0.00 -1.83 0.00 0.00 57.00 55.70 3hx5 n GLN 4 Cb 0.28 -1.65 0.02 0.00 -0.86 0.00 0.00 30.24 28.03 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 -1.78 0.00 -1.90 -0.39 -5.35 -1.26 -5.02 119.36 103.66 3hx5 n ILE 5 Ca 0.02 -0.46 -0.42 0.00 -0.27 0.00 0.00 62.75 61.62 3hx5 n ILE 5 Cb 0.16 1.13 -0.03 0.00 -1.74 0.00 0.00 39.64 39.16 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 -0.88 4.20 -0.25 6.28 3.52 -0.93 -4.79 118.95 126.10 3hx5 s ARG 6 Ca 0.08 2.39 -0.03 0.00 -0.13 0.00 0.00 55.73 58.04 3hx5 s ARG 6 Cb 0.06 -3.26 0.14 0.00 -1.56 0.00 0.00 34.95 30.34 3hx5 s ARG 6 CO 0.14 -0.66 0.45 -1.14 -0.81 0.00 0.00 175.30 173.28 3hx5 s GLN 7 N 1.53 0.41 -0.96 5.12 0.74 -1.26 -4.92 119.66 120.31 3hx5 s GLN 7 Ca 0.72 0.74 -0.06 0.00 0.05 0.00 0.00 55.36 56.81 3hx5 s GLN 7 Cb -0.44 -0.08 0.01 0.00 1.10 0.00 0.00 33.01 33.60 3hx5 s GLN 7 CO 0.32 -0.57 0.81 -1.71 -0.55 0.00 0.00 175.29 173.58 3hx5 n ASN 8 N 5.39 -5.07 -3.98 6.67 5.15 -1.26 -5.00 115.26 117.16 3hx5 n ASN 8 Ca -0.04 -0.37 -0.31 0.00 -0.60 0.00 0.00 54.58 53.27 3hx5 n ASN 8 Cb 0.50 -3.68 -0.15 0.00 -0.53 0.00 0.00 39.78 35.93 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 -3.21 3.48 0.44 1.20 5.04 -1.26 -4.84 117.35 118.20 3hx5 s TYR 9 Ca 0.40 -2.86 -0.24 0.00 -2.44 0.00 0.00 57.07 51.92 3hx5 s TYR 9 Cb -0.18 -2.77 -0.08 0.00 0.35 0.00 0.00 41.96 39.29 3hx5 s TYR 9 CO 0.49 -0.93 1.23 -1.54 -1.34 0.00 0.00 175.55 173.46 3hx5 s SER 10 N 0.91 6.18 0.67 4.32 1.04 -1.26 -4.90 113.70 120.66 3hx5 s SER 10 Ca 0.11 2.47 0.43 0.00 0.48 0.00 0.00 55.95 59.44 3hx5 s SER 10 Cb -0.19 -2.62 2.34 0.00 0.10 0.00 0.00 66.02 65.65 3hx5 s SER 10 CO -0.10 -0.92 2.33 0.71 0.98 0.00 0.00 173.24 176.24 3hx5 h THR 11 N 2.09 0.03 -0.09 2.02 1.35 -1.99 -1.67 112.91 114.65 3hx5 h THR 11 Ca -0.49 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.29 3hx5 h THR 11 Cb 1.25 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3hx5 h THR 11 CO 0.61 0.00 -0.25 0.44 -0.25 0.00 0.00 175.52 176.07 3hx5 h ASP 12 N 0.00 0.37 -0.43 5.36 3.45 -2.00 -2.31 116.42 120.87 3hx5 h ASP 12 Ca 0.00 -0.60 -0.14 0.00 0.43 0.00 0.00 57.03 56.72 3hx5 h ASP 12 Cb 0.06 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 3hx5 h ASP 12 CO -0.00 0.91 -0.26 0.58 -1.57 0.00 0.00 179.24 178.90 3hx5 h VAL 13 N -0.15 1.27 -0.14 -1.35 2.07 -1.71 -1.62 116.25 114.63 3hx5 h VAL 13 Ca -0.01 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.14 3hx5 h VAL 13 Cb 0.87 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 3hx5 h VAL 13 CO 0.05 0.48 -0.27 -0.08 0.02 0.00 0.00 177.57 177.78 3hx5 h GLU 14 N 0.78 -0.32 -0.45 1.57 4.81 -1.42 0.20 114.58 119.75 3hx5 h GLU 14 Ca 0.09 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3hx5 h GLU 14 Cb 0.84 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 3hx5 h GLU 14 CO 0.07 -0.21 0.21 0.00 -0.73 0.00 0.00 179.01 178.35 3hx5 h ALA 15 N 0.59 0.58 0.00 2.92 0.00 -1.37 -2.31 119.26 119.67 3hx5 h ALA 15 Ca 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hx5 h ALA 15 Cb 0.49 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hx5 h ALA 15 CO -0.33 0.16 -0.02 0.00 0.00 0.00 0.00 179.25 179.06 3hx5 h ALA 16 N 1.05 1.01 0.07 0.00 0.00 -0.75 -1.39 119.26 119.25 3hx5 h ALA 16 Ca 0.15 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 3hx5 h ALA 16 Cb 0.14 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hx5 h ALA 16 CO -0.02 0.02 -0.85 0.28 0.00 0.00 0.00 179.25 178.69 3hx5 h VAL 17 N 0.00 1.41 -0.80 0.00 2.07 -0.09 -1.58 116.25 117.25 3hx5 h VAL 17 Ca -0.00 -2.31 -0.01 0.00 0.82 0.00 0.00 66.70 65.20 3hx5 h VAL 17 Cb 0.42 2.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 3hx5 h VAL 17 CO 0.00 0.68 0.45 0.78 0.02 0.00 0.00 177.57 179.50 3hx5 h ASN 18 N -0.05 1.00 0.06 0.57 2.35 -1.09 0.10 115.58 118.52 3hx5 h ASN 18 Ca -0.13 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.43 3hx5 h ASN 18 Cb 1.58 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.68 3hx5 h ASN 18 CO 0.16 0.80 -0.32 -1.28 -1.65 0.00 0.00 177.43 175.15 3hx5 h SER 19 N 1.11 0.39 0.48 5.81 0.87 -1.30 -2.25 113.55 118.65 3hx5 h SER 19 Ca 0.28 -0.14 -0.14 0.00 -1.23 0.00 0.00 61.79 60.56 3hx5 h SER 19 Cb 0.02 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3hx5 h SER 19 CO -0.05 0.69 -0.63 0.25 -0.53 0.00 0.00 176.83 176.57 3hx5 h LEU 20 N 0.33 0.17 -0.51 2.23 5.85 -0.50 -2.45 115.31 120.43 3hx5 h LEU 20 Ca 0.04 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 3hx5 h LEU 20 Cb 0.73 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3hx5 h LEU 20 CO 0.06 0.76 0.04 0.58 -0.34 0.00 0.00 178.44 179.53 3hx5 h VAL 21 N 0.11 1.26 -0.50 1.05 2.07 -0.64 -1.13 116.25 118.46 3hx5 h VAL 21 Ca -0.01 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.52 3hx5 h VAL 21 Cb 1.14 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3hx5 h VAL 21 CO 0.09 0.36 0.30 -1.13 0.02 0.00 0.00 177.57 177.21 3hx5 h ASN 22 N 0.74 0.49 -0.15 0.57 -0.73 -1.26 0.89 115.58 116.12 3hx5 h ASN 22 Ca 0.15 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 3hx5 h ASN 22 Cb 0.46 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 3hx5 h ASN 22 CO 0.02 0.34 0.06 0.25 -0.37 0.00 0.00 177.43 177.74 3hx5 h LEU 23 N 0.60 0.24 -0.07 0.34 5.85 -1.05 -0.39 115.31 120.83 3hx5 h LEU 23 Ca 0.20 -0.02 -0.25 0.00 0.84 0.00 0.00 57.88 58.66 3hx5 h LEU 23 Cb 0.02 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 40.99 3hx5 h LEU 23 CO -0.09 0.24 -1.05 1.88 -0.34 0.00 0.00 178.44 179.08 3hx5 h TYR 24 N 0.28 0.61 -0.70 1.25 -1.99 -0.09 -2.22 116.97 114.09 3hx5 h TYR 24 Ca 0.07 -0.36 -0.03 0.00 2.00 0.00 0.00 58.73 60.41 3hx5 h TYR 24 Cb 0.09 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 38.73 3hx5 h TYR 24 CO 0.00 1.21 0.33 -0.07 -0.00 0.00 0.00 178.16 179.64 3hx5 h LEU 25 N 0.19 0.93 -0.77 3.88 3.38 -0.13 -0.15 115.31 122.64 3hx5 h LEU 25 Ca -0.10 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 3hx5 h LEU 25 Cb 1.72 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.20 3hx5 h LEU 25 CO 0.18 0.80 0.21 -0.61 0.09 0.00 0.00 178.44 179.11 3hx5 h GLN 26 N 0.98 1.14 -0.49 1.13 4.15 -1.09 -1.61 115.11 119.32 3hx5 h GLN 26 Ca 0.24 -0.25 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 3hx5 h GLN 26 Cb 0.13 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3hx5 h GLN 26 CO -0.03 0.98 0.00 0.00 -1.93 0.00 0.00 178.83 177.85 3hx5 h ALA 27 N 1.13 0.66 -0.74 3.38 0.00 -0.76 -0.98 119.26 121.95 3hx5 h ALA 27 Ca 0.23 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3hx5 h ALA 27 Cb 0.33 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3hx5 h ALA 27 CO -0.00 0.46 0.46 1.03 0.00 0.00 0.00 179.25 181.19 3hx5 h SER 28 N 0.72 0.73 0.66 0.00 0.87 -0.70 -1.24 113.55 114.60 3hx5 h SER 28 Ca 0.14 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 3hx5 h SER 28 Cb 0.51 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3hx5 h SER 28 CO 0.02 0.49 -0.32 0.22 -0.53 0.00 0.00 176.83 176.72 3hx5 h TYR 29 N 0.87 -0.82 -1.00 2.24 5.03 -0.97 -1.44 116.97 120.88 3hx5 h TYR 29 Ca 0.31 -0.02 0.22 0.00 2.58 0.00 0.00 58.73 61.82 3hx5 h TYR 29 Cb 0.07 0.27 -0.11 0.00 1.55 0.00 0.00 36.73 38.52 3hx5 h TYR 29 CO -0.04 -0.49 0.62 1.15 -1.32 0.00 0.00 178.16 178.08 3hx5 h THR 30 N -0.97 0.61 0.00 1.81 2.02 -0.92 0.33 112.91 115.79 3hx5 h THR 30 Ca -0.09 -0.21 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 3hx5 h THR 30 Cb 0.70 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3hx5 h THR 30 CO 0.15 0.11 -0.60 1.88 0.37 0.00 0.00 175.52 177.43 3hx5 h TYR 31 N 0.60 0.00 -0.14 3.16 0.05 -0.99 -2.05 116.97 117.60 3hx5 h TYR 31 Ca 0.60 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.35 3hx5 h TYR 31 Cb 1.15 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.88 3hx5 h TYR 31 CO -0.00 0.60 -0.02 1.25 -1.05 0.00 0.00 178.16 178.94 3hx5 h LEU 32 N 0.00 0.25 -0.45 3.88 5.85 0.70 -0.36 115.31 125.19 3hx5 h LEU 32 Ca -0.01 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.43 3hx5 h LEU 32 Cb 1.15 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 3hx5 h LEU 32 CO 0.08 0.54 0.16 -1.28 -0.34 0.00 0.00 178.44 177.59 3hx5 h SER 33 N -0.03 0.16 -0.76 1.25 0.87 -1.10 -1.47 113.55 112.47 3hx5 h SER 33 Ca 0.04 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3hx5 h SER 33 Cb 0.42 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 3hx5 h SER 33 CO 0.01 0.13 0.32 -0.07 -0.53 0.00 0.00 176.83 176.68 3hx5 h LEU 34 N 0.33 1.04 -0.07 2.23 3.38 -1.27 -1.54 115.31 119.40 3hx5 h LEU 34 Ca 0.21 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3hx5 h LEU 34 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3hx5 h LEU 34 CO -0.21 0.91 -0.05 1.23 0.09 0.00 0.00 178.44 180.41 3hx5 h GLY 35 N 1.14 0.02 2.00 0.83 0.00 -0.02 -2.75 103.07 104.29 3hx5 h GLY 35 Ca 0.26 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 3hx5 h GLY 35 CO -0.02 -0.06 -0.10 0.74 0.00 0.00 0.00 176.54 177.09 3hx5 h PHE 36 N -0.05 0.00 -0.44 5.60 -1.00 -1.34 -3.12 116.94 116.59 3hx5 h PHE 36 Ca 0.05 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.78 3hx5 h PHE 36 Cb 0.12 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 3hx5 h PHE 36 CO -0.16 0.10 0.09 -0.92 -1.61 0.00 0.00 178.31 175.82 3hx5 h TYR 37 N 0.00 0.69 -0.00 -0.55 3.20 -0.99 -1.69 116.97 117.63 3hx5 h TYR 37 Ca -0.00 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3hx5 h TYR 37 Cb 0.99 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.06 3hx5 h TYR 37 CO 0.00 0.60 -0.09 1.19 -1.64 0.00 0.00 178.16 178.22 3hx5 n PHE 38 N -4.30 0.00 0.74 -3.82 3.72 -1.12 -3.00 117.46 109.69 3hx5 n PHE 38 Ca 0.03 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.55 3hx5 n PHE 38 Cb 0.22 -0.22 0.17 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.07 0.60 -4.68 4.37 4.64 -0.65 -2.13 116.55 117.63 3hx5 n ASP 39 Ca 0.14 -0.10 -0.42 0.00 -1.38 0.00 0.00 54.79 53.03 3hx5 n ASP 39 Cb 0.27 0.33 0.00 0.00 -1.04 0.00 0.00 41.12 40.69 3hx5 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hx5 n ARG 40 N -1.83 1.90 0.25 -0.67 1.74 -1.13 -4.66 116.66 112.26 3hx5 n ARG 40 Ca 0.04 0.67 0.08 0.00 -0.77 0.00 0.00 57.85 57.87 3hx5 n ARG 40 Cb 0.40 -2.29 0.63 0.00 -1.02 0.00 0.00 32.46 30.17 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 2.18 0.00 0.03 0.55 2.03 -1.91 0.28 116.42 119.58 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 1.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 3hx5 h ASP 41 CO 0.60 0.05 -0.01 -0.90 -1.03 0.00 0.00 179.24 177.96 3hx5 n ASP 42 N -4.40 0.60 0.00 4.15 3.85 -1.26 -4.10 116.55 115.39 3hx5 n ASP 42 Ca -0.03 -1.15 -0.04 0.00 -0.71 0.00 0.00 54.79 52.87 3hx5 n ASP 42 Cb 0.14 -0.01 -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 -0.56 0.97 -3.79 2.12 0.31 -0.65 -5.08 118.33 111.65 3hx5 n VAL 43 Ca 0.21 0.19 -0.31 0.00 -0.01 0.00 0.00 64.34 64.43 3hx5 n VAL 43 Cb 0.21 -1.70 0.02 0.00 -0.91 0.00 0.00 33.84 31.46 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 -3.57 -2.66 -3.66 3.52 0.00 0.90 -4.97 120.51 110.07 3hx5 n ALA 44 Ca -0.06 -0.34 -0.28 0.00 0.00 0.00 0.00 53.44 52.76 3hx5 n ALA 44 Cb 0.28 -2.17 -0.12 0.00 0.00 0.00 0.00 19.45 17.45 3hx5 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hx5 s LEU 45 N -6.00 2.99 0.35 0.00 1.43 -0.91 -4.98 118.68 111.58 3hx5 s LEU 45 Ca 0.26 -3.22 0.09 0.00 -1.03 0.00 0.00 54.13 50.23 3hx5 s LEU 45 Cb -0.12 -1.03 0.81 0.00 0.03 0.00 0.00 46.19 45.87 3hx5 s LEU 45 CO 0.90 -0.17 1.87 -0.08 0.23 0.00 0.00 176.35 179.11 3hx5 h GLU 46 N 5.86 0.68 0.48 1.70 4.81 -1.94 -1.53 114.58 124.65 3hx5 h GLU 46 Ca 0.15 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3hx5 h GLU 46 Cb 0.86 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3hx5 h GLU 46 CO 0.53 0.45 -0.23 0.78 -0.73 0.00 0.00 179.01 179.81 3hx5 h GLY 47 N 0.70 -0.67 1.85 1.92 0.00 -1.95 -0.07 103.07 104.85 3hx5 h GLY 47 Ca 0.44 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 48.00 3hx5 h GLY 47 CO -0.20 -0.24 0.01 -2.08 0.00 0.00 0.00 176.54 174.03 3hx5 h VAL 48 N -0.67 1.09 0.05 4.60 2.07 -1.88 -1.30 116.25 120.22 3hx5 h VAL 48 Ca -0.07 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3hx5 h VAL 48 Cb 0.50 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3hx5 h VAL 48 CO 0.11 0.11 -0.03 -1.28 0.02 0.00 0.00 177.57 176.50 3hx5 h SER 49 N 0.19 -0.06 -0.93 0.57 0.87 -1.00 -2.54 113.55 110.64 3hx5 h SER 49 Ca 0.05 -0.38 0.11 0.00 -1.23 0.00 0.00 61.79 60.33 3hx5 h SER 49 Cb 0.12 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.03 3hx5 h SER 49 CO 0.00 0.36 0.60 -0.74 -0.53 0.00 0.00 176.83 176.52 3hx5 h HIS 50 N -0.50 1.01 0.34 2.24 6.17 -0.64 -1.33 115.15 122.44 3hx5 h HIS 50 Ca -0.01 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.09 3hx5 h HIS 50 Cb 0.44 -0.33 0.00 0.00 2.52 0.00 0.00 27.41 30.05 3hx5 h HIS 50 CO 0.07 0.45 -0.18 0.35 0.71 0.00 0.00 177.93 179.32 3hx5 h PHE 51 N 0.92 -0.47 0.00 5.26 3.57 -1.12 -1.48 116.94 123.62 3hx5 h PHE 51 Ca 0.44 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.93 3hx5 h PHE 51 Cb 0.44 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.34 3hx5 h PHE 51 CO -0.00 -0.29 0.00 0.74 -2.23 0.00 0.00 178.31 176.53 3hx5 h PHE 52 N -0.48 0.00 0.03 0.41 -1.00 -1.01 -2.23 116.94 112.65 3hx5 h PHE 52 Ca -0.04 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.52 3hx5 h PHE 52 Cb 0.38 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 3hx5 h PHE 52 CO -0.07 0.00 -0.99 0.00 -1.61 0.00 0.00 178.31 175.65 3hx5 h ARG 53 N 0.00 0.10 -0.28 1.51 3.08 -0.92 -1.92 114.38 115.95 3hx5 h ARG 53 Ca 0.00 -0.15 -0.17 0.00 0.07 0.00 0.00 59.98 59.73 3hx5 h ARG 53 Cb 0.52 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3hx5 h ARG 53 CO 0.00 1.00 -0.51 0.93 -1.07 0.00 0.00 179.97 180.32 3hx5 h GLU 54 N 0.04 0.83 -0.09 0.04 5.08 -0.94 -2.18 114.58 117.37 3hx5 h GLU 54 Ca -0.04 -0.53 -0.07 0.00 -1.00 0.00 0.00 59.36 57.72 3hx5 h GLU 54 Cb 1.69 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.99 3hx5 h GLU 54 CO 0.14 1.16 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.96 3hx5 h LEU 55 N 0.60 0.16 -0.95 1.33 3.38 -1.42 -0.12 115.31 118.29 3hx5 h LEU 55 Ca 0.01 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3hx5 h LEU 55 Cb 1.12 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 3hx5 h LEU 55 CO 0.11 0.44 0.14 0.00 0.09 0.00 0.00 178.44 179.23 3hx5 h ALA 56 N 1.58 1.14 -0.02 1.53 0.00 -1.07 -1.61 119.26 120.81 3hx5 h ALA 56 Ca 0.02 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 3hx5 h ALA 56 Cb 0.57 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hx5 h ALA 56 CO 0.04 0.58 -0.85 1.49 0.00 0.00 0.00 179.25 180.51 3hx5 h GLU 57 N 0.87 0.31 -0.18 0.00 4.57 -0.70 -3.00 114.58 116.45 3hx5 h GLU 57 Ca 0.19 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 3hx5 h GLU 57 Cb 0.32 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3hx5 h GLU 57 CO -0.00 0.99 0.05 0.93 -1.18 0.00 0.00 179.01 179.80 3hx5 h GLU 58 N 0.19 0.29 0.00 1.92 5.08 -0.59 -0.70 114.58 120.77 3hx5 h GLU 58 Ca -0.05 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3hx5 h GLU 58 Cb 1.46 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 3hx5 h GLU 58 CO 0.14 0.40 -0.11 0.87 -1.00 0.00 0.00 179.01 179.31 3hx5 h LYS 59 N 0.12 0.00 -0.11 2.33 1.79 -1.37 0.55 116.57 119.88 3hx5 h LYS 59 Ca 0.06 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.47 3hx5 h LYS 59 Cb 0.24 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3hx5 h LYS 59 CO -0.00 0.11 -0.17 -0.09 -1.08 0.00 0.00 179.45 178.22 3hx5 h ARG 60 N 0.00 0.30 0.00 3.15 2.43 -1.27 -1.01 114.38 117.98 3hx5 h ARG 60 Ca -0.00 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 3hx5 h ARG 60 Cb 0.35 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3hx5 h ARG 60 CO 0.01 0.76 -0.08 0.93 -1.51 0.00 0.00 179.97 180.09 3hx5 h GLU 61 N -0.13 0.00 0.60 0.20 5.08 -0.21 -2.00 114.58 118.13 3hx5 h GLU 61 Ca 0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3hx5 h GLU 61 Cb 0.74 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.99 3hx5 h GLU 61 CO 0.04 0.08 -0.29 0.78 -1.00 0.00 0.00 179.01 178.62 3hx5 h GLY 62 N 0.26 -0.85 2.00 -3.84 0.00 -0.53 -2.40 103.07 97.71 3hx5 h GLY 62 Ca -0.00 0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 3hx5 h GLY 62 CO 0.01 -0.31 -0.09 0.10 0.00 0.00 0.00 176.54 176.25 3hx5 h TYR 63 N -1.16 0.00 -0.25 5.60 -0.00 -0.95 -1.71 116.97 118.50 3hx5 h TYR 63 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.51 3hx5 h TYR 63 Cb 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.38 3hx5 h TYR 63 CO 0.00 0.09 -0.37 0.93 -0.00 0.00 0.00 178.16 178.82 3hx5 h GLU 64 N 0.00 0.69 -0.95 0.10 5.08 -1.40 -1.75 114.58 116.34 3hx5 h GLU 64 Ca -0.00 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3hx5 h GLU 64 Cb 0.19 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 3hx5 h GLU 64 CO 0.01 1.03 0.57 -0.09 -1.00 0.00 0.00 179.01 179.53 3hx5 h ARG 65 N 0.41 1.28 -0.60 2.33 2.43 -0.82 0.11 114.38 119.52 3hx5 h ARG 65 Ca 0.02 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3hx5 h ARG 65 Cb 0.96 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 3hx5 h ARG 65 CO 0.09 0.90 0.22 -0.07 -1.51 0.00 0.00 179.97 179.59 3hx5 h LEU 66 N 1.31 0.85 -0.80 3.80 3.38 -1.18 -1.51 115.31 121.15 3hx5 h LEU 66 Ca 0.34 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 3hx5 h LEU 66 Cb -0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3hx5 h LEU 66 CO -0.06 0.81 -0.42 -0.07 0.09 0.00 0.00 178.44 178.79 3hx5 h LEU 67 N 0.85 0.41 -0.19 1.67 3.38 -0.69 -0.84 115.31 119.89 3hx5 h LEU 67 Ca 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hx5 h LEU 67 Cb 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3hx5 h LEU 67 CO -0.01 0.78 0.08 0.50 0.09 0.00 0.00 178.44 179.89 3hx5 h LYS 68 N 0.32 0.28 -0.33 1.13 1.63 -0.49 -2.42 116.57 116.70 3hx5 h LYS 68 Ca 0.03 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 3hx5 h LYS 68 Cb 0.87 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 3hx5 h LYS 68 CO 0.07 0.33 0.14 1.98 -3.45 0.00 0.00 179.45 178.52 3hx5 h MET 69 N 0.17 0.48 -0.68 1.90 4.05 -1.13 -2.03 114.93 117.69 3hx5 h MET 69 Ca 0.06 -0.08 0.14 0.00 -0.28 0.00 0.00 59.70 59.54 3hx5 h MET 69 Cb 0.15 -0.08 -0.10 0.00 -0.80 0.00 0.00 31.60 30.76 3hx5 h MET 69 CO -0.01 0.48 0.11 0.37 0.23 0.00 0.00 176.91 178.09 3hx5 h GLN 70 N 0.38 0.21 -0.40 0.39 5.75 -1.00 0.10 115.11 120.54 3hx5 h GLN 70 Ca 0.11 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.52 3hx5 h GLN 70 Cb 0.17 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 3hx5 h GLN 70 CO -0.01 0.14 -0.07 -0.91 -2.65 0.00 0.00 178.83 175.33 3hx5 h ASN 71 N 0.22 0.66 0.01 -0.69 4.21 -1.06 0.35 115.58 119.28 3hx5 h ASN 71 Ca 0.37 -0.17 -0.12 0.00 1.21 0.00 0.00 56.30 57.59 3hx5 h ASN 71 Cb 0.62 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 3hx5 h ASN 71 CO -0.50 0.78 -0.36 1.56 -1.29 0.00 0.00 177.43 177.61 3hx5 h GLN 72 N 0.63 0.47 -0.00 0.81 4.20 -0.31 -2.70 115.11 118.21 3hx5 h GLN 72 Ca 0.12 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3hx5 h GLN 72 Cb 0.50 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.28 3hx5 h GLN 72 CO 0.03 0.77 -0.03 0.54 -0.67 0.00 0.00 178.83 179.47 3hx5 n ARG 73 N -4.05 0.85 -0.63 1.46 5.12 -0.53 -4.88 116.66 113.99 3hx5 n ARG 73 Ca -0.01 -0.16 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 3hx5 n ARG 73 Cb 0.48 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 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 1.16 0.70 3.80 -0.13 0.00 -1.00 -4.32 105.19 105.39 3hx5 n GLY 74 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.97 1.58 -0.21 -0.02 0.00 0.12 -4.44 107.32 102.37 3hx5 s GLY 75 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.22 3hx5 s GLY 75 CO 0.00 0.03 -0.10 0.50 0.00 0.00 0.00 173.10 173.53 3hx5 s ARG 76 N -5.29 2.08 0.32 2.90 1.81 -1.26 -4.38 118.95 115.12 3hx5 s ARG 76 Ca 0.63 -0.95 -0.29 0.00 -1.72 0.00 0.00 55.73 53.41 3hx5 s ARG 76 Cb -0.14 -2.53 -0.10 0.00 -0.45 0.00 0.00 34.95 31.72 3hx5 s ARG 76 CO 0.53 -0.46 1.35 0.00 -0.68 0.00 0.00 175.30 176.05 3hx5 s ALA 77 N 1.34 3.53 -0.06 2.13 0.00 -1.26 -4.99 121.76 122.44 3hx5 s ALA 77 Ca -0.03 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 3hx5 s ALA 77 Cb -0.17 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.47 3hx5 s ALA 77 CO -0.08 -0.71 0.00 -0.51 0.00 0.00 0.00 175.76 174.47 3hx5 s LEU 78 N -1.49 0.70 0.02 0.00 1.43 -1.26 -5.15 118.68 112.93 3hx5 s LEU 78 Ca 0.52 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.52 3hx5 s LEU 78 Cb -0.41 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 3hx5 s LEU 78 CO 0.52 -0.17 0.21 -0.36 0.23 0.00 0.00 176.35 176.78 3hx5 s PHE 79 N 1.76 3.54 0.38 0.29 0.08 -1.26 -4.82 117.98 117.95 3hx5 s PHE 79 Ca 0.01 0.37 0.04 0.00 0.12 0.00 0.00 56.93 57.48 3hx5 s PHE 79 Cb -0.13 -1.85 -0.05 0.00 -0.57 0.00 0.00 43.02 40.42 3hx5 s PHE 79 CO -0.04 0.62 0.06 -0.65 -0.10 0.00 0.00 175.22 175.10 3hx5 s GLN 80 N -2.09 1.82 0.37 0.44 -1.52 -1.26 -5.11 119.66 112.30 3hx5 s GLN 80 Ca 0.30 -2.05 -0.28 0.00 -1.95 0.00 0.00 55.36 51.38 3hx5 s GLN 80 Cb -0.13 -1.05 -0.11 0.00 -0.22 0.00 0.00 33.01 31.50 3hx5 s GLN 80 CO 0.21 -0.23 1.48 -0.25 -0.25 0.00 0.00 175.29 176.25 3hx5 n ASP 81 N -0.91 3.72 -4.50 5.90 10.43 -1.26 -4.96 116.55 124.97 3hx5 n ASP 81 Ca -0.05 1.22 -0.42 0.00 2.57 0.00 0.00 54.79 58.11 3hx5 n ASP 81 Cb 0.66 -1.61 -0.09 0.00 1.84 0.00 0.00 41.12 41.93 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 -1.08 5.09 0.31 0.53 1.01 -1.26 -5.05 121.20 120.75 3hx5 s ILE 82 Ca 0.54 -0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.69 3hx5 s ILE 82 Cb -0.48 -4.00 -0.10 0.00 0.01 0.00 0.00 42.46 37.88 3hx5 s ILE 82 CO 0.63 -0.35 1.35 -0.54 0.00 0.00 0.00 174.94 176.03 3hx5 s LYS 83 N 2.16 4.32 0.76 2.79 1.02 -1.26 -4.99 119.74 124.54 3hx5 s LYS 83 Ca 0.13 2.26 -0.13 0.00 0.02 0.00 0.00 55.97 58.25 3hx5 s LYS 83 Cb -0.17 -3.07 0.05 0.00 -0.52 0.00 0.00 37.83 34.12 3hx5 s LYS 83 CO 0.13 -0.27 1.14 -1.59 -0.92 0.00 0.00 175.35 173.84 3hx5 s LYS 84 N -1.45 2.12 1.00 1.68 -2.85 -1.26 -4.86 119.74 114.11 3hx5 s LYS 84 Ca 0.52 1.45 -0.15 0.00 -1.00 0.00 0.00 55.97 56.80 3hx5 s LYS 84 Cb -0.41 -1.86 0.04 0.00 -2.06 0.00 0.00 37.83 33.54 3hx5 s LYS 84 CO 0.51 -1.79 0.21 -2.30 0.10 0.00 0.00 175.35 172.09 3hx5 n PRO 85 N -3.17 -0.59 0.12 1.78 -0.02 -1.26 -4.91 135.00 126.96 3hx5 n PRO 85 Ca 0.11 -0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.58 3hx5 n PRO 85 Cb 0.52 -1.76 0.36 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 h ALA 86 N -1.65 1.00 -2.78 3.55 0.00 -1.97 -3.46 119.26 113.95 3hx5 h ALA 86 Ca -0.46 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.21 3hx5 h ALA 86 Cb 1.30 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.91 3hx5 h ALA 86 CO 0.34 0.00 -0.72 -1.21 0.00 0.00 0.00 179.25 177.67 3hx5 s GLU 87 N -3.12 0.63 -0.15 0.00 0.41 -1.26 -5.02 118.70 110.19 3hx5 s GLU 87 Ca 0.10 -0.98 0.19 0.00 -0.41 0.00 0.00 54.97 53.87 3hx5 s GLU 87 Cb 0.11 -0.22 -0.27 0.00 -1.78 0.00 0.00 34.13 31.97 3hx5 s GLU 87 CO 0.61 0.01 0.17 -0.25 -0.49 0.00 0.00 175.26 175.32 3hx5 n ASP 88 N 0.86 0.09 -4.06 -0.19 8.00 -1.26 -4.90 116.55 115.09 3hx5 n ASP 88 Ca -0.19 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.07 3hx5 n ASP 88 Cb 0.57 1.25 -0.16 0.00 -0.02 0.00 0.00 41.12 42.76 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 -2.75 1.56 -0.17 -1.24 2.02 -1.26 -5.00 118.70 111.87 3hx5 s GLU 89 Ca -0.09 -0.46 0.16 0.00 0.02 0.00 0.00 54.97 54.60 3hx5 s GLU 89 Cb 0.08 -1.34 0.69 0.00 0.10 0.00 0.00 34.13 33.66 3hx5 s GLU 89 CO 0.84 0.12 1.60 0.91 0.02 0.00 0.00 175.26 178.75 3hx5 n TRP 90 N 3.45 1.51 -4.14 1.61 7.02 -1.26 -5.07 117.44 120.56 3hx5 n TRP 90 Ca -0.20 -0.71 0.00 0.00 -1.02 0.00 0.00 57.50 55.57 3hx5 n TRP 90 Cb 0.53 -0.35 0.00 0.00 -2.42 0.00 0.00 31.31 29.07 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 0.51 3.05 3.96 6.99 0.00 -1.26 -3.78 105.19 114.66 3hx5 n GLY 91 Ca 0.25 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 3.19 0.19 1.61 1.02 -1.26 -4.92 119.74 119.56 3hx5 s LYS 92 Ca 0.00 -0.60 -0.25 0.00 0.02 0.00 0.00 55.97 55.13 3hx5 s LYS 92 Cb 0.00 -2.67 0.06 0.00 -0.52 0.00 0.00 37.83 34.70 3hx5 s LYS 92 CO 0.00 -0.06 1.55 1.15 -0.92 0.00 0.00 175.35 177.07 3hx5 h THR 93 N 0.64 0.01 -0.93 2.17 2.02 -2.00 0.36 112.91 115.18 3hx5 h THR 93 Ca -0.47 0.00 0.20 0.00 0.77 0.00 0.00 66.41 66.91 3hx5 h THR 93 Cb 1.25 0.01 -0.08 0.00 -1.74 0.00 0.00 68.15 67.59 3hx5 h THR 93 CO 0.57 0.00 0.61 -0.65 0.37 0.00 0.00 175.52 176.42 3hx5 h PRO 94 N -0.04 0.48 -0.25 6.66 0.11 -1.95 0.28 132.00 137.29 3hx5 h PRO 94 Ca 0.23 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.15 3hx5 h PRO 94 Cb 0.51 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 3hx5 h PRO 94 CO -0.92 0.32 -0.51 -0.44 -0.21 0.00 0.00 178.00 176.25 3hx5 h ASP 95 N 0.50 0.78 0.18 -2.05 3.45 -1.23 -2.41 116.42 115.64 3hx5 h ASP 95 Ca 0.50 -0.40 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 3hx5 h ASP 95 Cb 1.11 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 39.66 3hx5 h ASP 95 CO -0.22 1.14 -0.09 0.00 -1.57 0.00 0.00 179.24 178.50 3hx5 h ALA 96 N 0.88 -0.25 -0.86 3.45 0.00 -0.61 -2.72 119.26 119.16 3hx5 h ALA 96 Ca 0.02 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 54.87 3hx5 h ALA 96 Cb 1.07 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 3hx5 h ALA 96 CO 0.10 -0.38 0.56 1.98 0.00 0.00 0.00 179.25 181.52 3hx5 h MET 97 N -0.77 0.55 -0.66 0.00 -1.53 -1.09 0.10 114.93 111.53 3hx5 h MET 97 Ca -0.03 -0.03 -0.07 0.00 -3.44 0.00 0.00 59.70 56.14 3hx5 h MET 97 Cb 0.51 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.41 3hx5 h MET 97 CO 0.04 0.36 0.16 0.87 0.14 0.00 0.00 176.91 178.48 3hx5 h LYS 98 N 0.56 1.06 0.00 0.39 1.57 -1.40 -0.37 116.57 118.39 3hx5 h LYS 98 Ca 0.44 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3hx5 h LYS 98 Cb 0.85 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3hx5 h LYS 98 CO -0.18 0.95 -0.44 0.00 -0.57 0.00 0.00 179.45 179.21 3hx5 h ALA 99 N 1.06 1.19 -0.03 3.86 0.00 -0.53 -1.88 119.26 122.92 3hx5 h ALA 99 Ca 0.21 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3hx5 h ALA 99 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hx5 h ALA 99 CO 0.00 0.55 -0.13 0.00 0.00 0.00 0.00 179.25 179.67 3hx5 h ALA 100 N 1.56 0.06 -0.45 0.00 0.00 -0.76 -1.97 119.26 117.70 3hx5 h ALA 100 Ca -0.00 -0.37 0.09 0.00 0.00 0.00 0.00 54.91 54.62 3hx5 h ALA 100 Cb 0.82 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 3hx5 h ALA 100 CO 0.06 -0.02 -0.02 1.98 0.00 0.00 0.00 179.25 181.25 3hx5 h MET 101 N -0.43 0.09 -0.66 0.00 -1.53 -0.96 0.17 114.93 111.61 3hx5 h MET 101 Ca -0.01 -0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.25 3hx5 h MET 101 Cb 0.77 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.77 3hx5 h MET 101 CO 0.03 0.06 0.40 0.00 0.14 0.00 0.00 176.91 177.54 3hx5 h ALA 102 N 1.41 1.46 -0.08 0.39 0.00 -1.35 -1.02 119.26 120.06 3hx5 h ALA 102 Ca 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hx5 h ALA 102 Cb 0.33 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hx5 h ALA 102 CO -0.39 0.47 -0.05 1.25 0.00 0.00 0.00 179.25 180.53 3hx5 h LEU 103 N 0.91 0.18 -0.16 0.00 5.85 -0.29 -1.97 115.31 119.83 3hx5 h LEU 103 Ca 0.24 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.57 3hx5 h LEU 103 Cb -0.04 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3hx5 h LEU 103 CO -0.05 0.57 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.21 3hx5 h GLU 104 N -0.21 -0.07 -0.61 1.25 4.39 -0.43 -0.49 114.58 118.41 3hx5 h GLU 104 Ca 0.02 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.77 3hx5 h GLU 104 Cb 0.51 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 3hx5 h GLU 104 CO 0.01 -0.05 0.40 0.87 -1.16 0.00 0.00 179.01 179.09 3hx5 h LYS 105 N -0.07 0.62 -0.42 2.33 1.57 -1.19 0.29 116.57 119.70 3hx5 h LYS 105 Ca 0.09 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3hx5 h LYS 105 Cb 0.21 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3hx5 h LYS 105 CO -0.21 0.41 0.01 -0.22 -0.57 0.00 0.00 179.45 178.87 3hx5 h LYS 106 N 0.64 0.75 -0.02 3.15 3.64 -0.45 -1.39 116.57 122.89 3hx5 h LYS 106 Ca 0.26 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3hx5 h LYS 106 Cb 0.20 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3hx5 h LYS 106 CO -0.07 0.82 0.01 -0.07 -2.27 0.00 0.00 179.45 177.86 3hx5 h LEU 107 N 0.58 0.04 -0.95 5.20 3.38 0.02 -1.88 115.31 121.71 3hx5 h LEU 107 Ca 0.12 -0.20 0.15 0.00 0.09 0.00 0.00 57.88 58.05 3hx5 h LEU 107 Cb 0.48 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 3hx5 h LEU 107 CO 0.02 0.22 0.56 -1.13 0.09 0.00 0.00 178.44 178.20 3hx5 h ASN 108 N -0.15 0.74 -0.48 -0.43 -1.24 -0.39 0.19 115.58 113.82 3hx5 h ASN 108 Ca 0.01 0.08 -0.06 0.00 0.71 0.00 0.00 56.30 57.03 3hx5 h ASN 108 Cb 0.20 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 3hx5 h ASN 108 CO -0.00 0.33 0.05 -0.61 -1.29 0.00 0.00 177.43 175.91 3hx5 h GLN 109 N 0.79 0.82 -0.13 6.67 5.75 -1.03 -0.94 115.11 127.05 3hx5 h GLN 109 Ca 0.51 -0.23 -0.07 0.00 -0.15 0.00 0.00 58.65 58.71 3hx5 h GLN 109 Cb 0.68 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 3hx5 h GLN 109 CO -0.34 0.83 -0.24 0.00 -2.65 0.00 0.00 178.83 176.44 3hx5 h ALA 110 N 0.95 1.36 0.01 3.38 0.00 -0.11 -0.70 119.26 124.16 3hx5 h ALA 110 Ca 0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hx5 h ALA 110 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hx5 h ALA 110 CO 0.01 0.44 -0.01 -0.07 0.00 0.00 0.00 179.25 179.63 3hx5 h LEU 111 N 0.20 -0.02 -1.27 0.00 3.38 -0.36 -2.67 115.31 114.58 3hx5 h LEU 111 Ca 0.03 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.65 3hx5 h LEU 111 Cb 0.54 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 3hx5 h LEU 111 CO 0.04 0.40 0.52 -0.07 0.09 0.00 0.00 178.44 179.42 3hx5 h LEU 112 N -0.44 0.79 -1.05 1.67 3.38 -0.88 0.13 115.31 118.90 3hx5 h LEU 112 Ca -0.00 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3hx5 h LEU 112 Cb 0.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3hx5 h LEU 112 CO 0.00 0.52 -0.25 0.44 0.09 0.00 0.00 178.44 179.25 3hx5 h ASP 113 N 0.91 0.00 0.02 -0.43 3.45 -1.14 0.05 116.42 119.27 3hx5 h ASP 113 Ca 0.33 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.74 3hx5 h ASP 113 Cb 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 3hx5 h ASP 113 CO -0.11 0.25 -0.21 0.25 -1.57 0.00 0.00 179.24 177.85 3hx5 h LEU 114 N 0.00 0.15 -1.47 1.55 5.85 -0.63 -2.45 115.31 118.30 3hx5 h LEU 114 Ca -0.00 -0.87 0.01 0.00 0.84 0.00 0.00 57.88 57.87 3hx5 h LEU 114 Cb 0.78 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3hx5 h LEU 114 CO 0.03 1.00 0.37 -0.74 -0.34 0.00 0.00 178.44 178.76 3hx5 h HIS 115 N -0.68 0.67 -0.46 1.25 2.76 -0.74 0.25 115.15 118.20 3hx5 h HIS 115 Ca -0.03 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.06 3hx5 h HIS 115 Cb 1.05 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.77 3hx5 h HIS 115 CO 0.22 0.41 -0.07 0.00 -1.30 0.00 0.00 177.93 177.19 3hx5 h ALA 116 N 1.66 0.63 0.00 5.26 0.00 -1.02 -1.79 119.26 124.00 3hx5 h ALA 116 Ca 0.21 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3hx5 h ALA 116 Cb -0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hx5 h ALA 116 CO -0.05 0.49 -0.14 1.25 0.00 0.00 0.00 179.25 180.80 3hx5 h LEU 117 N 0.70 0.00 -0.36 0.00 5.85 -0.73 -2.31 115.31 118.47 3hx5 h LEU 117 Ca 0.12 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.66 3hx5 h LEU 117 Cb 0.60 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3hx5 h LEU 117 CO 0.04 0.14 -0.83 1.23 -0.34 0.00 0.00 178.44 178.68 3hx5 h GLY 118 N 2.03 0.12 1.23 3.75 0.00 -0.00 -2.82 103.07 107.37 3hx5 h GLY 118 Ca -0.00 -0.21 -0.29 0.00 0.00 0.00 0.00 47.33 46.83 3hx5 h GLY 118 CO 0.02 0.19 -1.16 1.76 0.00 0.00 0.00 176.54 177.35 3hx5 h SER 119 N 0.06 0.90 0.53 0.19 0.02 -1.02 -0.85 113.55 113.39 3hx5 h SER 119 Ca -0.03 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 3hx5 h SER 119 Cb 1.44 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3hx5 h SER 119 CO 0.12 1.58 0.00 0.00 -1.14 0.00 0.00 176.83 177.39 3hx5 n ALA 120 N -2.67 1.65 -0.34 3.77 0.00 -0.90 -2.02 120.51 120.00 3hx5 n ALA 120 Ca -0.12 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.34 3hx5 n ALA 120 Cb 0.94 -1.26 0.11 0.00 0.00 0.00 0.00 19.45 19.24 3hx5 n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hx5 n ARG 121 N -1.65 2.72 -4.03 0.00 5.12 -1.07 -5.00 116.66 112.75 3hx5 n ARG 121 Ca 0.03 -2.04 -0.37 0.00 -1.93 0.00 0.00 57.85 53.54 3hx5 n ARG 121 Cb 0.18 -1.29 -0.01 0.00 -1.16 0.00 0.00 32.46 30.19 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 -0.24 -3.03 -3.76 0.55 -2.24 -0.85 -4.93 114.28 99.78 3hx5 n THR 122 Ca 0.09 -0.64 -0.33 0.00 -2.27 0.00 0.00 64.05 60.90 3hx5 n THR 122 Cb 0.46 -2.48 -0.09 0.00 -2.10 0.00 0.00 70.33 66.12 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 -3.84 5.32 0.33 3.42 -1.08 -0.33 -4.94 116.67 115.54 3hx5 s ASP 123 Ca 0.31 -3.47 0.03 0.00 -0.52 0.00 0.00 52.55 48.90 3hx5 s ASP 123 Cb -0.15 -1.80 0.56 0.00 -1.46 0.00 0.00 42.92 40.07 3hx5 s ASP 123 CO 0.94 -0.21 1.88 1.55 0.52 0.00 0.00 175.17 179.85 3hx5 h PRO 124 N 6.15 0.62 -0.27 4.34 0.13 -1.92 -3.03 132.00 138.03 3hx5 h PRO 124 Ca 0.09 -0.12 0.02 0.00 -0.87 0.00 0.00 66.00 65.12 3hx5 h PRO 124 Cb 0.84 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.85 3hx5 h PRO 124 CO 0.77 0.60 0.12 1.25 -0.23 0.00 0.00 178.00 180.50 3hx5 h HIS 125 N 0.60 0.21 0.45 1.56 2.76 -1.96 -1.72 115.15 117.06 3hx5 h HIS 125 Ca 0.13 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3hx5 h HIS 125 Cb 0.28 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 3hx5 h HIS 125 CO 0.01 0.11 -0.41 1.25 -1.30 0.00 0.00 177.93 177.59 3hx5 h LEU 126 N 0.25 -1.11 -0.76 0.26 5.85 -1.93 -0.71 115.31 117.18 3hx5 h LEU 126 Ca 0.12 0.09 0.15 0.00 0.84 0.00 0.00 57.88 59.07 3hx5 h LEU 126 Cb 0.06 0.36 -0.10 0.00 0.37 0.00 0.00 40.66 41.35 3hx5 h LEU 126 CO -0.10 -0.57 0.27 0.00 -0.34 0.00 0.00 178.44 177.70 3hx5 h ASP 128 N 0.39 0.82 -0.34 0.00 3.58 -1.08 -0.01 116.42 119.78 3hx5 h ASP 128 Ca 0.42 -0.30 0.05 0.00 0.42 0.00 0.00 57.03 57.62 3hx5 h ASP 128 Cb 0.67 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.46 3hx5 h ASP 128 CO -0.44 1.02 0.09 0.15 -2.88 0.00 0.00 179.24 177.18 3hx5 h PHE 129 N 0.70 0.15 -0.41 0.28 -0.00 0.68 0.47 116.94 118.81 3hx5 h PHE 129 Ca 0.09 0.02 -0.13 0.00 -0.00 0.00 0.00 57.97 57.95 3hx5 h PHE 129 Cb 0.75 -0.02 -0.01 0.00 -0.00 0.00 0.00 35.95 36.67 3hx5 h PHE 129 CO 0.04 0.05 -0.27 -0.07 -0.00 0.00 0.00 178.31 178.06 3hx5 h LEU 130 N 0.22 0.89 -0.62 0.59 3.38 -0.86 -2.34 115.31 116.57 3hx5 h LEU 130 Ca 0.16 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3hx5 h LEU 130 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3hx5 h LEU 130 CO -0.19 1.10 0.09 -0.33 0.09 0.00 0.00 178.44 179.20 3hx5 h GLU 131 N 0.73 1.03 -0.08 1.13 5.08 -0.21 -0.83 114.58 121.43 3hx5 h GLU 131 Ca 0.09 -0.28 -0.19 0.00 -1.00 0.00 0.00 59.36 57.97 3hx5 h GLU 131 Cb 0.82 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.96 3hx5 h GLU 131 CO 0.07 0.97 -0.71 1.15 -1.00 0.00 0.00 179.01 179.49 3hx5 h THR 132 N 0.94 1.33 0.00 1.13 2.02 -0.01 -3.38 112.91 114.94 3hx5 h THR 132 Ca 0.19 -2.00 0.00 0.00 0.77 0.00 0.00 66.41 65.37 3hx5 h THR 132 Cb 0.44 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 3hx5 h THR 132 CO 0.01 0.61 -1.11 1.41 0.37 0.00 0.00 175.52 176.82 3hx5 n HIS 133 N -4.07 0.00 0.02 3.16 8.25 -0.89 -4.89 115.22 116.80 3hx5 n HIS 133 Ca -0.09 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.35 3hx5 n HIS 133 Cb 0.71 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 31.67 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 -1.63 0.00 -0.32 4.41 3.72 -0.71 -4.60 117.46 118.33 3hx5 n PHE 134 Ca -0.01 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.56 3hx5 n PHE 134 Cb 0.23 -0.10 0.35 0.00 -0.94 0.00 0.00 39.48 39.02 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 -0.18 0.35 0.04 4.37 3.38 -1.39 -0.54 115.31 121.33 3hx5 h LEU 135 Ca -0.01 0.17 -0.28 0.00 0.09 0.00 0.00 57.88 57.86 3hx5 h LEU 135 Cb 0.23 0.15 0.02 0.00 0.09 0.00 0.00 40.66 41.15 3hx5 h LEU 135 CO -0.00 -0.05 -1.11 -0.78 0.09 0.00 0.00 178.44 176.58 3hx5 h ASP 136 N 0.37 0.91 -0.40 -0.43 -0.00 -1.83 -3.13 116.42 111.91 3hx5 h ASP 136 Ca 0.61 -0.77 0.06 0.00 -0.00 0.00 0.00 57.03 56.93 3hx5 h ASP 136 Cb 1.23 -0.28 -0.05 0.00 -0.00 0.00 0.00 39.33 40.23 3hx5 h ASP 136 CO -0.57 1.56 0.08 -0.33 -0.00 0.00 0.00 179.24 179.98 3hx5 h GLU 137 N 0.35 0.20 0.03 0.28 4.39 -1.41 -1.71 114.58 116.71 3hx5 h GLU 137 Ca -0.15 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 3hx5 h GLU 137 Cb 1.77 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 3hx5 h GLU 137 CO 0.22 0.13 -0.01 0.93 -1.16 0.00 0.00 179.01 179.11 3hx5 h GLU 138 N 0.20 -0.03 -0.74 2.33 4.39 -1.27 -2.08 114.58 117.37 3hx5 h GLU 138 Ca 0.19 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.97 3hx5 h GLU 138 Cb 0.23 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.82 3hx5 h GLU 138 CO -0.25 0.06 0.40 0.28 -1.16 0.00 0.00 179.01 178.34 3hx5 h VAL 139 N -0.12 0.91 -0.36 3.13 2.07 -1.44 0.28 116.25 120.72 3hx5 h VAL 139 Ca -0.00 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 3hx5 h VAL 139 Cb 0.11 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3hx5 h VAL 139 CO 0.01 0.13 -0.10 0.11 0.02 0.00 0.00 177.57 177.73 3hx5 h LYS 140 N 0.70 0.62 -0.11 1.57 1.57 -1.20 -1.71 116.57 118.01 3hx5 h LYS 140 Ca 0.35 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 3hx5 h LYS 140 Cb 0.30 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3hx5 h LYS 140 CO -0.23 0.71 -0.36 1.25 -0.57 0.00 0.00 179.45 180.26 3hx5 h LEU 141 N 0.57 0.50 -1.16 2.94 5.85 -0.51 -1.43 115.31 122.07 3hx5 h LEU 141 Ca 0.10 -0.61 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 3hx5 h LEU 141 Cb 0.51 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3hx5 h LEU 141 CO 0.03 1.02 0.46 0.40 -0.34 0.00 0.00 178.44 180.01 3hx5 h ILE 142 N 0.00 1.21 -0.45 4.05 2.04 -0.42 0.86 117.51 124.79 3hx5 h ILE 142 Ca -0.01 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 3hx5 h ILE 142 Cb 0.98 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3hx5 h ILE 142 CO 0.08 0.22 0.01 0.50 0.00 0.00 0.00 178.15 178.96 3hx5 h LYS 143 N 1.04 0.79 -0.13 2.37 1.63 -1.29 -0.00 116.57 120.99 3hx5 h LYS 143 Ca 0.27 -0.25 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 3hx5 h LYS 143 Cb -0.04 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 3hx5 h LYS 143 CO -0.05 0.85 0.04 -0.22 -3.45 0.00 0.00 179.45 176.61 3hx5 h LYS 144 N 0.64 0.10 0.19 1.90 3.64 -0.21 0.08 116.57 122.90 3hx5 h LYS 144 Ca 0.13 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3hx5 h LYS 144 Cb 0.48 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3hx5 h LYS 144 CO 0.02 0.06 -0.09 0.52 -2.27 0.00 0.00 179.45 177.69 3hx5 h MET 145 N 0.10 -0.24 -1.01 1.90 2.86 -0.79 -1.69 114.93 116.06 3hx5 h MET 145 Ca 0.05 0.02 0.25 0.00 -2.06 0.00 0.00 59.70 57.96 3hx5 h MET 145 Cb 0.04 0.06 -0.12 0.00 0.06 0.00 0.00 31.60 31.63 3hx5 h MET 145 CO -0.06 -0.03 0.60 0.78 1.06 0.00 0.00 176.91 179.26 3hx5 h GLY 146 N -0.42 1.89 0.91 8.32 0.00 -0.71 0.57 103.07 113.63 3hx5 h GLY 146 Ca -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3hx5 h GLY 146 CO 0.04 -0.25 0.09 -0.55 0.00 0.00 0.00 176.54 175.87 3hx5 h ASP 147 N 0.56 0.25 -0.34 0.19 5.19 -0.58 -2.54 116.42 119.14 3hx5 h ASP 147 Ca 0.65 -0.13 0.04 0.00 -0.62 0.00 0.00 57.03 56.96 3hx5 h ASP 147 Cb 1.26 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.67 3hx5 h ASP 147 CO -0.47 0.31 0.12 0.45 -3.12 0.00 0.00 179.24 176.52 3hx5 h HIS 148 N 0.16 0.21 -0.70 4.55 3.86 0.95 -2.02 115.15 122.16 3hx5 h HIS 148 Ca 0.06 0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.40 3hx5 h HIS 148 Cb 0.13 -0.04 -0.08 0.00 1.06 0.00 0.00 27.41 28.49 3hx5 h HIS 148 CO -0.02 0.09 0.32 -0.07 0.86 0.00 0.00 177.93 179.10 3hx5 h LEU 149 N 0.26 0.38 -0.36 2.43 3.38 -0.74 0.18 115.31 120.84 3hx5 h LEU 149 Ca 0.15 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.21 3hx5 h LEU 149 Cb 0.13 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3hx5 h LEU 149 CO -0.16 0.20 0.22 0.74 0.09 0.00 0.00 178.44 179.53 3hx5 h THR 150 N 0.53 1.05 -0.22 0.22 2.02 -0.99 -0.99 112.91 114.53 3hx5 h THR 150 Ca 0.36 -0.15 -0.13 0.00 0.77 0.00 0.00 66.41 67.26 3hx5 h THR 150 Cb 0.43 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3hx5 h THR 150 CO -0.31 0.08 -0.40 0.78 0.37 0.00 0.00 175.52 176.04 3hx5 h ASN 151 N 0.45 0.55 -0.07 4.18 2.35 -0.60 -2.71 115.58 119.72 3hx5 h ASN 151 Ca 0.14 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3hx5 h ASN 151 Cb -0.01 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 3hx5 h ASN 151 CO -0.06 0.89 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.54 3hx5 h LEU 152 N 0.43 0.12 -2.34 1.61 3.38 -0.36 -2.70 115.31 115.45 3hx5 h LEU 152 Ca 0.04 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3hx5 h LEU 152 Cb 0.89 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3hx5 h LEU 152 CO 0.08 0.43 -0.04 -0.74 0.09 0.00 0.00 178.44 178.25 3hx5 h HIS 153 N -0.18 0.00 0.00 1.13 2.76 -1.20 -1.69 115.15 115.96 3hx5 h HIS 153 Ca 0.02 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.13 3hx5 h HIS 153 Cb 0.37 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 3hx5 h HIS 153 CO 0.04 0.04 -0.28 -0.09 -1.30 0.00 0.00 177.93 176.34 3hx5 h ARG 154 N 0.00 0.00 0.00 5.26 2.43 -1.17 -3.19 114.38 117.71 3hx5 h ARG 154 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hx5 h ARG 154 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3hx5 h ARG 154 CO 0.01 0.28 0.00 1.28 -1.51 0.00 0.00 179.97 180.02 3hx5 n LEU 155 N -3.25 0.46 -4.24 3.80 4.77 -0.64 -3.93 117.00 113.97 3hx5 n LEU 155 Ca 0.02 0.56 -0.44 0.00 -0.03 0.00 0.00 56.01 56.12 3hx5 n LEU 155 Cb 0.57 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3hx5 n LEU 155 CO 0.36 -0.22 1.32 0.61 -1.33 0.00 0.00 177.39 178.13 3hx5 n GLY 156 N 0.91 4.15 0.00 -0.72 0.00 -1.21 -4.88 105.19 103.45 3hx5 n GLY 156 Ca 0.05 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 3.04 0.59 3.34 -0.02 0.00 -1.26 -5.08 105.19 105.80 3hx5 n GLY 157 Ca 0.33 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 3hx5 n GLY 157 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hx5 n PRO 158 N 0.00 -4.31 -1.00 1.61 -0.04 -1.26 -3.90 135.00 126.10 3hx5 n PRO 158 Ca 0.00 -1.59 -0.00 0.00 -0.04 0.00 0.00 63.50 61.87 3hx5 n PRO 158 Cb 0.00 -1.83 -0.00 0.00 -0.04 0.00 0.00 33.50 31.63 3hx5 n PRO 158 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hx5 n GLU 159 N -5.52 -0.93 0.04 0.54 1.02 -1.26 -4.68 120.64 109.85 3hx5 n GLU 159 Ca 0.14 0.24 0.20 0.00 -0.02 0.00 0.00 57.16 57.73 3hx5 n GLU 159 Cb 0.60 -3.94 0.73 0.00 -0.02 0.00 0.00 31.44 28.81 3hx5 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hx5 h ALA 160 N 0.00 2.32 0.00 0.62 0.00 -1.68 -3.45 119.26 117.07 3hx5 h ALA 160 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hx5 h ALA 160 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hx5 h ALA 160 CO 0.00 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.04