#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ies s SER 2 N 0.00 1.45 0.54 4.04 1.04 -1.26 -5.03 113.70 114.48 1ies s SER 2 Ca 0.00 -0.43 0.31 0.00 0.48 0.00 0.00 55.95 56.31 1ies s SER 2 Cb 0.00 -0.08 1.07 0.00 0.10 0.00 0.00 66.02 67.11 1ies s SER 2 CO 0.00 0.00 1.26 0.00 0.98 0.00 0.00 173.24 175.49 1ies n GLN 3 N 1.95 0.01 0.02 4.02 10.64 -1.26 -0.36 117.38 132.39 1ies n GLN 3 Ca -0.18 0.95 0.11 0.00 -1.83 0.00 0.00 57.00 56.05 1ies n GLN 3 Cb 0.55 -2.31 -0.03 0.00 -0.86 0.00 0.00 30.24 27.59 1ies n GLN 3 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 1ies n ILE 4 N -3.29 0.13 -2.13 -0.39 -5.35 -1.26 -4.96 119.36 102.12 1ies n ILE 4 Ca 0.28 -0.26 -0.42 0.00 -0.27 0.00 0.00 62.75 62.07 1ies n ILE 4 Cb 1.55 0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 39.69 1ies n ILE 4 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ies s ARG 5 N -3.23 4.31 -0.29 6.28 3.52 0.51 -4.85 118.95 125.19 1ies s ARG 5 Ca 0.02 2.13 -0.09 0.00 -0.13 0.00 0.00 55.73 57.66 1ies s ARG 5 Cb 0.14 -3.22 0.13 0.00 -1.56 0.00 0.00 34.95 30.45 1ies s ARG 5 CO 0.83 -0.44 0.64 -1.14 -0.81 0.00 0.00 175.30 174.37 1ies s GLN 6 N 0.87 0.57 -1.44 5.12 0.74 -1.26 -4.90 119.66 119.36 1ies s GLN 6 Ca 0.64 1.42 -0.11 0.00 0.05 0.00 0.00 55.36 57.36 1ies s GLN 6 Cb -0.38 0.84 0.04 0.00 1.10 0.00 0.00 33.01 34.61 1ies s GLN 6 CO 0.32 -0.22 1.09 -1.71 -0.55 0.00 0.00 175.29 174.22 1ies n ASN 7 N 5.45 -5.51 -4.07 6.67 5.15 -1.26 -4.99 115.26 116.71 1ies n ASN 7 Ca -0.11 -0.66 -0.32 0.00 -0.60 0.00 0.00 54.58 52.89 1ies n ASN 7 Cb 0.49 -4.50 -0.16 0.00 -0.53 0.00 0.00 39.78 35.09 1ies n ASN 7 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1ies s TYR 8 N -3.32 2.87 0.31 1.20 5.04 -1.26 -4.80 117.35 117.39 1ies s TYR 8 Ca 0.60 -1.90 -0.04 0.00 -2.44 0.00 0.00 57.07 53.29 1ies s TYR 8 Cb -0.28 -1.85 -0.05 0.00 0.35 0.00 0.00 41.96 40.13 1ies s TYR 8 CO 0.78 -0.82 0.57 -1.54 -1.34 0.00 0.00 175.55 173.20 1ies s SER 9 N 1.25 6.41 0.44 4.32 1.04 -1.26 -4.95 113.70 120.95 1ies s SER 9 Ca -0.02 0.70 0.14 0.00 0.48 0.00 0.00 55.95 57.25 1ies s SER 9 Cb -0.17 -2.14 0.97 0.00 0.10 0.00 0.00 66.02 64.78 1ies s SER 9 CO -0.09 -0.24 1.98 0.71 0.98 0.00 0.00 173.24 176.58 1ies h THR 10 N 1.19 1.14 -0.52 2.02 1.35 -1.99 0.25 112.91 116.35 1ies h THR 10 Ca -0.48 -0.67 -0.04 0.00 -0.55 0.00 0.00 66.41 64.67 1ies h THR 10 Cb 1.19 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 1ies h THR 10 CO 0.65 0.19 0.16 -0.33 -0.25 0.00 0.00 175.52 175.94 1ies h GLU 11 N 0.02 0.81 -0.13 4.72 3.07 -1.99 -0.64 114.58 120.43 1ies h GLU 11 Ca 0.00 -0.18 -0.13 0.00 -0.50 0.00 0.00 59.36 58.55 1ies h GLU 11 Cb 0.34 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1ies h GLU 11 CO 0.02 0.75 -0.44 0.28 -1.40 0.00 0.00 179.01 178.23 1ies h VAL 12 N 0.71 1.36 -0.57 3.13 2.07 -1.83 -2.54 116.25 118.58 1ies h VAL 12 Ca 0.17 -1.73 0.10 0.00 0.82 0.00 0.00 66.70 66.05 1ies h VAL 12 Cb 0.28 2.08 -0.07 0.00 -1.52 0.00 0.00 31.29 32.06 1ies h VAL 12 CO -0.00 0.52 0.17 -0.08 0.02 0.00 0.00 177.57 178.20 1ies h GLU 13 N 0.15 0.31 -0.49 1.57 4.81 -0.78 0.15 114.58 120.30 1ies h GLU 13 Ca -0.02 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1ies h GLU 13 Cb 1.07 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1ies h GLU 13 CO 0.09 0.21 -0.08 0.00 -0.73 0.00 0.00 179.01 178.50 1ies h ALA 14 N 1.42 0.93 -0.35 2.92 0.00 -1.16 -1.95 119.26 121.08 1ies h ALA 14 Ca 0.29 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1ies h ALA 14 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ies h ALA 14 CO -0.33 0.63 -0.36 0.00 0.00 0.00 0.00 179.25 179.18 1ies h ALA 15 N 1.10 0.71 -0.43 0.00 0.00 -0.77 -1.82 119.26 118.06 1ies h ALA 15 Ca 0.14 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1ies h ALA 15 Cb 0.59 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ies h ALA 15 CO 0.04 0.66 0.22 0.28 0.00 0.00 0.00 179.25 180.46 1ies h VAL 16 N 0.66 1.16 -0.37 0.00 2.07 -0.61 0.57 116.25 119.73 1ies h VAL 16 Ca 0.06 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1ies h VAL 16 Cb 0.92 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1ies h VAL 16 CO 0.08 0.17 0.25 0.78 0.02 0.00 0.00 177.57 178.88 1ies h ASN 17 N 0.55 0.40 0.15 0.57 2.35 -1.11 -0.64 115.58 117.85 1ies h ASN 17 Ca 0.15 -0.01 -0.22 0.00 -0.55 0.00 0.00 56.30 55.67 1ies h ASN 17 Cb 0.08 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1ies h ASN 17 CO -0.02 0.29 -0.85 -0.09 -1.65 0.00 0.00 177.43 175.10 1ies h ARG 18 N 0.47 0.54 -0.12 0.81 1.12 -0.85 -3.14 114.38 113.22 1ies h ARG 18 Ca 0.14 -0.50 -0.11 0.00 -1.11 0.00 0.00 59.98 58.40 1ies h ARG 18 Cb -0.01 0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.07 1ies h ARG 18 CO -0.03 1.13 -0.42 1.25 -3.11 0.00 0.00 179.97 178.79 1ies h LEU 19 N 0.34 0.28 -0.78 3.80 5.85 0.32 -2.26 115.31 122.86 1ies h LEU 19 Ca -0.07 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1ies h LEU 19 Cb 1.47 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.38 1ies h LEU 19 CO 0.16 0.67 0.51 0.58 -0.34 0.00 0.00 178.44 180.02 1ies h VAL 20 N 0.22 1.17 -0.34 1.05 2.07 -1.19 -0.87 116.25 118.36 1ies h VAL 20 Ca 0.02 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1ies h VAL 20 Cb 0.84 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1ies h VAL 20 CO 0.07 0.19 0.10 -1.13 0.02 0.00 0.00 177.57 176.82 1ies h ASN 21 N 1.03 0.49 -0.56 0.57 -0.73 -1.44 -1.21 115.58 113.73 1ies h ASN 21 Ca 0.30 -0.21 0.03 0.00 1.87 0.00 0.00 56.30 58.29 1ies h ASN 21 Cb -0.06 -0.13 -0.04 0.00 0.27 0.00 0.00 38.32 38.36 1ies h ASN 21 CO -0.08 0.57 0.33 -0.07 -0.37 0.00 0.00 177.43 177.80 1ies h LEU 22 N 0.39 0.53 -0.29 0.34 4.07 -0.95 0.22 115.31 119.62 1ies h LEU 22 Ca 0.11 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.05 1ies h LEU 22 Cb 0.25 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 1ies h LEU 22 CO -0.00 0.37 0.10 1.88 -1.08 0.00 0.00 178.44 179.71 1ies h TYR 23 N 0.65 0.45 -0.51 1.13 -1.99 -1.00 -0.27 116.97 115.44 1ies h TYR 23 Ca 0.23 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.91 1ies h TYR 23 Cb 0.04 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 38.61 1ies h TYR 23 CO -0.06 0.46 0.31 -0.07 -0.00 0.00 0.00 178.16 178.79 1ies h LEU 24 N 0.31 0.62 -0.82 3.88 4.07 -0.85 -0.09 115.31 122.43 1ies h LEU 24 Ca 0.09 -0.06 -0.08 0.00 0.08 0.00 0.00 57.88 57.92 1ies h LEU 24 Cb 0.21 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 1ies h LEU 24 CO -0.01 0.50 0.02 -0.09 -1.08 0.00 0.00 178.44 177.79 1ies h ARG 25 N 0.68 0.91 -0.91 1.13 1.12 -0.43 -1.54 114.38 115.36 1ies h ARG 25 Ca 0.18 -0.25 -0.01 0.00 -1.11 0.00 0.00 59.98 58.79 1ies h ARG 25 Cb -0.00 -0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 29.81 1ies h ARG 25 CO -0.03 0.89 0.53 0.00 -3.11 0.00 0.00 179.97 178.25 1ies h ALA 26 N 1.17 1.16 0.06 2.80 0.00 -0.40 -1.29 119.26 122.76 1ies h ALA 26 Ca 0.16 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ies h ALA 26 Cb 0.47 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ies h ALA 26 CO 0.02 0.63 -0.13 1.03 0.00 0.00 0.00 179.25 180.80 1ies h SER 27 N 1.26 -0.36 -0.78 0.00 0.87 -0.66 0.46 113.55 114.35 1ies h SER 27 Ca 0.32 0.04 0.08 0.00 -1.23 0.00 0.00 61.79 61.01 1ies h SER 27 Cb -0.03 0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 62.00 1ies h SER 27 CO -0.06 -0.19 0.44 0.22 -0.53 0.00 0.00 176.83 176.72 1ies h TYR 28 N -0.25 0.81 -0.18 2.24 3.20 -1.05 -0.27 116.97 121.47 1ies h TYR 28 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1ies h TYR 28 Cb 0.27 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1ies h TYR 28 CO -0.16 0.35 0.11 1.15 -1.64 0.00 0.00 178.16 177.98 1ies h THR 29 N 0.77 1.06 -0.22 1.81 2.02 -0.62 -1.50 112.91 116.23 1ies h THR 29 Ca 0.36 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.36 1ies h THR 29 Cb 0.29 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1ies h THR 29 CO -0.22 0.05 -0.15 1.88 0.37 0.00 0.00 175.52 177.45 1ies h TYR 30 N 0.23 0.39 -0.40 3.16 0.05 -0.42 0.65 116.97 120.63 1ies h TYR 30 Ca 0.06 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.80 1ies h TYR 30 Cb -0.01 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 1ies h TYR 30 CO -0.06 0.51 0.25 1.25 -1.05 0.00 0.00 178.16 179.06 1ies h LEU 31 N 0.34 0.41 -0.38 3.88 5.85 -0.71 0.13 115.31 124.83 1ies h LEU 31 Ca 0.06 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1ies h LEU 31 Cb 0.48 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1ies h LEU 31 CO 0.03 0.30 0.21 -1.28 -0.34 0.00 0.00 178.44 177.35 1ies h SER 32 N 0.50 0.48 -0.34 1.25 0.87 -0.73 -1.72 113.55 113.85 1ies h SER 32 Ca 0.15 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1ies h SER 32 Cb -0.02 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1ies h SER 32 CO -0.06 0.43 0.21 -0.07 -0.53 0.00 0.00 176.83 176.81 1ies h LEU 33 N 0.48 0.41 -0.16 2.23 3.38 -0.58 -2.66 115.31 118.42 1ies h LEU 33 Ca 0.13 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ies h LEU 33 Cb 0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1ies h LEU 33 CO -0.02 0.35 0.10 1.23 0.09 0.00 0.00 178.44 180.18 1ies h GLY 34 N 0.45 0.23 1.95 0.83 0.00 -0.69 -2.36 103.07 103.47 1ies h GLY 34 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1ies h GLY 34 CO -0.02 0.09 0.00 0.69 0.00 0.00 0.00 176.54 177.30 1ies n PHE 35 N -4.96 0.00 -0.01 5.60 3.72 -0.65 -2.66 117.46 118.50 1ies n PHE 35 Ca -0.04 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.20 1ies n PHE 35 Cb 0.05 -0.48 -0.11 0.00 -0.94 0.00 0.00 39.48 38.00 1ies n PHE 35 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1ies h TYR 36 N 0.00 0.41 0.00 1.38 3.20 -1.06 -3.20 116.97 117.71 1ies h TYR 36 Ca 0.00 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.65 1ies h TYR 36 Cb 0.33 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1ies h TYR 36 CO 0.00 1.03 0.00 1.19 -1.64 0.00 0.00 178.16 178.74 1ies n PHE 37 N -4.38 0.00 1.02 -3.82 3.72 -1.09 -1.02 117.46 111.89 1ies n PHE 37 Ca -0.10 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.41 1ies n PHE 37 Cb 0.58 -0.12 0.10 0.00 -0.94 0.00 0.00 39.48 39.09 1ies n PHE 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ies n ASP 38 N -1.12 0.86 -4.77 4.37 2.03 -1.20 -1.75 116.55 114.96 1ies n ASP 38 Ca 0.08 -0.70 -0.40 0.00 0.52 0.00 0.00 54.79 54.29 1ies n ASP 38 Cb 0.07 0.55 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1ies n ASP 38 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ies s ARG 39 N -2.92 3.89 0.62 -0.67 0.52 -0.19 -4.69 118.95 115.51 1ies s ARG 39 Ca 0.12 2.30 0.33 0.00 -0.52 0.00 0.00 55.73 57.96 1ies s ARG 39 Cb 0.17 -2.75 1.89 0.00 0.52 0.00 0.00 34.95 34.78 1ies s ARG 39 CO 0.74 -0.61 2.19 0.38 0.02 0.00 0.00 175.30 178.02 1ies h ASP 40 N 2.60 0.00 -0.65 0.23 2.03 -1.92 0.30 116.42 119.01 1ies h ASP 40 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1ies h ASP 40 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1ies h ASP 40 CO 0.62 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.93 1ies n ASP 41 N -3.53 3.47 0.00 4.15 5.75 -1.26 -4.30 116.55 120.84 1ies n ASP 41 Ca -0.01 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1ies n ASP 41 Cb 0.21 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1ies n ASP 41 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1ies n VAL 42 N 1.40 0.08 -3.98 2.12 0.31 0.29 -5.08 118.33 113.47 1ies n VAL 42 Ca 0.22 0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 64.16 1ies n VAL 42 Cb 0.55 -1.49 0.02 0.00 -0.91 0.00 0.00 33.84 32.01 1ies n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ies n ALA 43 N -3.02 -2.63 -3.85 3.52 0.00 0.81 -4.98 120.51 110.36 1ies n ALA 43 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 53.44 52.64 1ies n ALA 43 Cb 0.46 -2.57 -0.14 0.00 0.00 0.00 0.00 19.45 17.20 1ies n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ies s LEU 44 N -6.97 3.51 0.13 0.00 1.02 -0.72 -4.99 118.68 110.67 1ies s LEU 44 Ca 0.42 -2.50 -0.17 0.00 0.02 0.00 0.00 54.13 51.90 1ies s LEU 44 Cb -0.22 -1.31 -0.02 0.00 0.02 0.00 0.00 46.19 44.66 1ies s LEU 44 CO 0.95 -0.30 1.69 -0.08 0.02 0.00 0.00 176.35 178.63 1ies h GLU 45 N 7.04 0.51 -0.38 1.70 4.81 -1.94 -1.17 114.58 125.15 1ies h GLU 45 Ca -0.06 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1ies h GLU 45 Cb 0.95 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1ies h GLU 45 CO 0.55 0.48 0.06 0.78 -0.73 0.00 0.00 179.01 180.15 1ies h GLY 46 N 0.43 0.61 1.04 1.92 0.00 -1.89 0.11 103.07 105.30 1ies h GLY 46 Ca 0.12 -0.34 -0.20 0.00 0.00 0.00 0.00 47.33 46.91 1ies h GLY 46 CO -0.01 0.32 -0.74 -2.08 0.00 0.00 0.00 176.54 174.02 1ies h VAL 47 N 0.55 1.32 -0.37 4.60 2.07 -1.79 -0.49 116.25 122.15 1ies h VAL 47 Ca 0.12 -2.02 0.05 0.00 0.82 0.00 0.00 66.70 65.68 1ies h VAL 47 Cb 0.26 2.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 1ies h VAL 47 CO 0.00 0.62 0.11 0.00 0.02 0.00 0.00 177.57 178.32 1ies h HIS 49 N 0.25 0.87 0.20 0.00 6.17 -0.56 -0.51 115.15 121.57 1ies h HIS 49 Ca 0.17 -0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.26 1ies h HIS 49 Cb 0.17 -0.29 -0.03 0.00 2.52 0.00 0.00 27.41 29.78 1ies h HIS 49 CO -0.16 0.59 -0.34 0.35 0.71 0.00 0.00 177.93 179.08 1ies h PHE 50 N 0.90 -0.94 -0.14 5.26 3.57 -0.50 -1.72 116.94 123.36 1ies h PHE 50 Ca 0.24 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 1ies h PHE 50 Cb -0.02 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1ies h PHE 50 CO -0.02 -0.46 -0.36 0.74 -2.23 0.00 0.00 178.31 175.98 1ies h PHE 51 N -0.62 0.35 -0.56 0.41 0.04 -1.16 -2.70 116.94 112.69 1ies h PHE 51 Ca 0.01 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 1ies h PHE 51 Cb 0.62 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.66 1ies h PHE 51 CO -0.27 0.63 0.27 0.00 -0.60 0.00 0.00 178.31 178.34 1ies h ARG 52 N 0.26 0.82 -0.98 1.51 2.47 -0.85 -1.30 114.38 116.30 1ies h ARG 52 Ca 0.03 -0.12 0.01 0.00 -1.26 0.00 0.00 59.98 58.63 1ies h ARG 52 Cb 0.76 -0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.88 1ies h ARG 52 CO 0.06 0.67 0.64 0.93 0.56 0.00 0.00 179.97 182.83 1ies h GLU 53 N 0.76 1.30 -0.36 0.04 5.08 -1.01 -2.06 114.58 118.34 1ies h GLU 53 Ca 0.19 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1ies h GLU 53 Cb 0.13 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1ies h GLU 53 CO -0.02 0.87 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.70 1ies h LEU 54 N 1.34 0.60 -0.62 1.33 3.38 -1.23 0.47 115.31 120.58 1ies h LEU 54 Ca 0.36 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.25 1ies h LEU 54 Cb -0.14 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.39 1ies h LEU 54 CO -0.08 0.73 0.28 0.00 0.09 0.00 0.00 178.44 179.47 1ies h ALA 55 N 1.33 0.82 -0.30 1.53 0.00 -0.53 -0.57 119.26 121.54 1ies h ALA 55 Ca 0.11 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1ies h ALA 55 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ies h ALA 55 CO 0.03 -0.11 -0.14 0.93 0.00 0.00 0.00 179.25 179.96 1ies h GLU 56 N 0.50 0.62 -0.81 0.00 5.08 -1.07 -1.37 114.58 117.53 1ies h GLU 56 Ca 0.30 -0.27 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1ies h GLU 56 Cb 0.31 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 1ies h GLU 56 CO -0.26 0.85 0.47 0.93 -1.00 0.00 0.00 179.01 180.00 1ies h GLU 57 N 0.37 0.77 -0.10 2.33 5.08 -0.51 -1.47 114.58 121.06 1ies h GLU 57 Ca 0.07 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1ies h GLU 57 Cb 0.66 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1ies h GLU 57 CO 0.04 0.51 -0.60 0.87 -1.00 0.00 0.00 179.01 178.83 1ies h LYS 58 N 0.79 0.32 -0.67 2.33 1.79 -0.74 -1.14 116.57 119.26 1ies h LYS 58 Ca 0.38 -0.22 -0.04 0.00 -2.18 0.00 0.00 60.65 58.59 1ies h LYS 58 Cb 0.33 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 1ies h LYS 58 CO -0.23 0.83 0.25 -0.09 -1.08 0.00 0.00 179.45 179.13 1ies h ARG 59 N 0.24 1.02 -0.68 3.15 2.43 -0.84 -1.47 114.38 118.22 1ies h ARG 59 Ca -0.01 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 58.91 1ies h ARG 59 Cb 1.12 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 1ies h ARG 59 CO 0.10 0.86 0.18 0.93 -1.51 0.00 0.00 179.97 180.53 1ies h GLU 60 N 0.96 1.07 -0.67 0.20 5.08 -1.09 -1.55 114.58 118.59 1ies h GLU 60 Ca 0.22 -0.24 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1ies h GLU 60 Cb 0.23 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 1ies h GLU 60 CO -0.02 0.94 0.36 0.78 -1.00 0.00 0.00 179.01 180.08 1ies h GLY 61 N 1.08 0.99 1.03 -3.84 0.00 -0.75 -0.93 103.07 100.65 1ies h GLY 61 Ca 0.22 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1ies h GLY 61 CO -0.00 0.13 0.26 0.00 0.00 0.00 0.00 176.54 176.93 1ies h ALA 62 N 1.36 0.92 -0.66 3.60 0.00 -0.98 -2.00 119.26 121.51 1ies h ALA 62 Ca 0.31 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1ies h ALA 62 Cb 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1ies h ALA 62 CO -0.20 0.56 0.15 0.93 0.00 0.00 0.00 179.25 180.70 1ies h GLU 63 N 1.02 1.06 -0.15 0.00 5.08 -0.73 -0.83 114.58 120.03 1ies h GLU 63 Ca 0.23 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1ies h GLU 63 Cb 0.25 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1ies h GLU 63 CO -0.01 0.95 0.07 -0.09 -1.00 0.00 0.00 179.01 178.93 1ies h ARG 64 N 0.98 0.15 -0.61 2.33 2.43 -1.04 0.01 114.38 118.63 1ies h ARG 64 Ca 0.21 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1ies h ARG 64 Cb 0.37 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 1ies h ARG 64 CO 0.00 0.10 0.38 -0.07 -1.51 0.00 0.00 179.97 178.87 1ies h LEU 65 N 0.15 0.63 -0.64 3.80 3.38 -1.27 -1.94 115.31 119.43 1ies h LEU 65 Ca 0.06 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1ies h LEU 65 Cb 0.02 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1ies h LEU 65 CO -0.05 0.45 0.39 -0.07 0.09 0.00 0.00 178.44 179.25 1ies h LEU 66 N 0.76 0.64 -0.73 1.67 4.07 -0.64 -0.50 115.31 120.58 1ies h LEU 66 Ca 0.24 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.14 1ies h LEU 66 Cb -0.01 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.57 1ies h LEU 66 CO -0.09 0.44 0.19 0.50 -1.08 0.00 0.00 178.44 178.40 1ies h LYS 67 N 0.77 1.15 -0.59 1.13 3.64 -0.88 -2.80 116.57 118.99 1ies h LYS 67 Ca 0.26 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1ies h LYS 67 Cb 0.03 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1ies h LYS 67 CO -0.11 1.01 0.17 1.98 -2.27 0.00 0.00 179.45 180.23 1ies h MET 68 N 1.10 0.93 -0.56 1.90 4.05 -0.72 -1.38 114.93 120.24 1ies h MET 68 Ca 0.23 -0.21 0.11 0.00 -0.28 0.00 0.00 59.70 59.55 1ies h MET 68 Cb 0.36 -0.13 -0.09 0.00 -0.80 0.00 0.00 31.60 30.94 1ies h MET 68 CO 0.00 0.84 -0.02 0.37 0.23 0.00 0.00 176.91 178.34 1ies h GLN 69 N 0.84 0.10 -0.20 0.39 5.75 -1.01 -0.08 115.11 120.89 1ies h GLN 69 Ca 0.19 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.57 1ies h GLN 69 Cb 0.31 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 1ies h GLN 69 CO -0.00 0.07 -0.37 -0.91 -2.65 0.00 0.00 178.83 174.96 1ies h ASN 70 N 0.10 0.47 -0.14 -0.69 2.35 -1.22 0.23 115.58 116.68 1ies h ASN 70 Ca 0.28 -0.19 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 1ies h ASN 70 Cb 0.44 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1ies h ASN 70 CO -0.48 0.80 -0.24 1.56 -1.65 0.00 0.00 177.43 177.42 1ies h GLN 71 N 0.38 0.59 0.00 0.81 4.20 0.04 -2.84 115.11 118.29 1ies h GLN 71 Ca 0.04 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1ies h GLN 71 Cb 0.83 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1ies h GLN 71 CO 0.07 0.78 -0.00 0.54 -0.67 0.00 0.00 178.83 179.54 1ies n ARG 72 N -4.12 0.07 -0.25 1.46 5.12 -0.22 -4.91 116.66 113.82 1ies n ARG 72 Ca -0.00 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1ies n ARG 72 Cb 0.41 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 1ies n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ies n GLY 73 N 1.45 0.86 3.93 -0.13 0.00 -1.01 -4.22 105.19 106.08 1ies n GLY 73 Ca 0.07 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1ies n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ies s GLY 74 N -2.09 1.70 -0.12 -0.02 0.00 0.79 -4.66 107.32 102.92 1ies s GLY 74 Ca 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.69 1ies s GLY 74 CO 0.00 -0.54 -0.15 -1.60 0.00 0.00 0.00 173.10 170.80 1ies s ARG 75 N -5.39 2.27 0.25 2.90 6.06 -1.26 -4.26 118.95 119.52 1ies s ARG 75 Ca 0.64 -0.58 -0.30 0.00 -2.50 0.00 0.00 55.73 52.99 1ies s ARG 75 Cb -0.09 -1.95 -0.09 0.00 0.06 0.00 0.00 34.95 32.88 1ies s ARG 75 CO 0.47 -0.09 1.05 0.00 -2.50 0.00 0.00 175.30 174.23 1ies s ALA 76 N 1.05 3.38 -0.02 6.12 0.00 -1.26 -4.99 121.76 126.04 1ies s ALA 76 Ca -0.05 0.80 0.01 0.00 0.00 0.00 0.00 51.96 52.72 1ies s ALA 76 Cb -0.15 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1ies s ALA 76 CO -0.03 -0.06 -0.04 -0.51 0.00 0.00 0.00 175.76 175.12 1ies s LEU 77 N -1.17 1.72 -0.09 0.00 1.43 -1.26 -5.13 118.68 114.17 1ies s LEU 77 Ca 0.44 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1ies s LEU 77 Cb -0.30 -0.29 -0.02 0.00 0.03 0.00 0.00 46.19 45.61 1ies s LEU 77 CO 0.37 0.01 -0.14 -0.36 0.23 0.00 0.00 176.35 176.46 1ies s PHE 78 N 0.30 2.75 0.46 0.29 0.08 -1.26 -4.84 117.98 115.75 1ies s PHE 78 Ca -0.03 -0.42 0.05 0.00 0.12 0.00 0.00 56.93 56.65 1ies s PHE 78 Cb -0.07 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 1ies s PHE 78 CO -0.00 -0.02 0.15 -0.65 -0.10 0.00 0.00 175.22 174.59 1ies s GLN 79 N -0.17 2.18 0.72 0.44 -0.21 -1.26 -5.12 119.66 116.24 1ies s GLN 79 Ca -0.00 -2.06 -0.15 0.00 0.02 0.00 0.00 55.36 53.16 1ies s GLN 79 Cb -0.13 -1.83 0.03 0.00 1.00 0.00 0.00 33.01 32.08 1ies s GLN 79 CO 0.03 -0.26 1.20 -0.51 -2.12 0.00 0.00 175.29 173.64 1ies s ASP 80 N -3.93 4.29 -0.29 5.90 1.01 -1.26 -4.99 116.67 117.40 1ies s ASP 80 Ca 0.30 2.35 -0.06 0.00 0.71 0.00 0.00 52.55 55.84 1ies s ASP 80 Cb 0.03 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.38 1ies s ASP 80 CO 0.17 -2.20 0.06 -0.76 0.21 0.00 0.00 175.17 172.65 1ies s LEU 81 N -5.07 3.74 0.34 1.23 1.02 -1.26 -5.07 118.68 113.61 1ies s LEU 81 Ca 0.74 -0.68 -0.28 0.00 0.02 0.00 0.00 54.13 53.93 1ies s LEU 81 Cb -0.29 -1.86 -0.10 0.00 0.02 0.00 0.00 46.19 43.96 1ies s LEU 81 CO 0.44 -0.17 1.22 -1.10 0.02 0.00 0.00 176.35 176.77 1ies s GLN 82 N 1.49 4.33 0.91 1.70 -0.21 -1.26 -4.99 119.66 121.63 1ies s GLN 82 Ca 0.03 2.02 -0.10 0.00 0.02 0.00 0.00 55.36 57.33 1ies s GLN 82 Cb -0.17 -2.99 0.14 0.00 1.00 0.00 0.00 33.01 31.00 1ies s GLN 82 CO 0.02 -0.14 1.15 -1.59 -2.12 0.00 0.00 175.29 172.60 1ies s LYS 83 N -1.86 1.03 0.50 2.91 -2.85 -1.26 -4.93 119.74 113.28 1ies s LYS 83 Ca 0.50 1.55 -0.23 0.00 -1.00 0.00 0.00 55.97 56.79 1ies s LYS 83 Cb -0.36 -1.73 -0.07 0.00 -2.06 0.00 0.00 37.83 33.62 1ies s LYS 83 CO 0.46 -2.62 1.32 -2.30 0.10 0.00 0.00 175.35 172.31 1ies n PRO 84 N -4.22 1.80 -0.30 1.78 -0.02 -1.26 -4.90 135.00 127.87 1ies n PRO 84 Ca 0.12 0.65 0.19 0.00 -2.02 0.00 0.00 63.50 62.45 1ies n PRO 84 Cb 0.52 -2.50 0.47 0.00 -0.02 0.00 0.00 33.50 31.97 1ies n PRO 84 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ies h SER 85 N 1.70 0.51 -3.08 2.55 4.64 -1.98 -3.43 113.55 114.45 1ies h SER 85 Ca -0.50 0.07 -0.48 0.00 -0.47 0.00 0.00 61.79 60.41 1ies h SER 85 Cb 1.30 -0.02 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 1ies h SER 85 CO 0.58 0.15 -0.74 -1.10 -0.87 0.00 0.00 176.83 174.85 1ies s GLN 86 N -5.55 1.38 -0.04 4.77 -0.21 -1.26 -5.04 119.66 113.71 1ies s GLN 86 Ca -0.09 -1.60 0.17 0.00 0.02 0.00 0.00 55.36 53.86 1ies s GLN 86 Cb 0.24 -1.25 -0.26 0.00 1.00 0.00 0.00 33.01 32.75 1ies s GLN 86 CO 0.79 0.22 0.34 -0.25 -2.12 0.00 0.00 175.29 174.27 1ies n ASP 87 N -0.35 1.14 -4.09 5.90 8.00 -1.26 -4.93 116.55 120.95 1ies n ASP 87 Ca -0.08 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.20 1ies n ASP 87 Cb 0.60 1.68 -0.15 0.00 -0.02 0.00 0.00 41.12 43.23 1ies n ASP 87 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ies s GLU 88 N -3.09 1.21 0.00 -1.24 2.02 -1.26 -5.02 118.70 111.32 1ies s GLU 88 Ca -0.06 -0.48 0.07 0.00 0.02 0.00 0.00 54.97 54.52 1ies s GLU 88 Cb 0.10 -1.13 0.09 0.00 0.10 0.00 0.00 34.13 33.29 1ies s GLU 88 CO 0.70 0.25 0.84 0.91 0.02 0.00 0.00 175.26 177.98 1ies n TRP 89 N 2.92 0.08 0.00 1.61 7.02 -1.26 -5.09 117.44 122.71 1ies n TRP 89 Ca -0.16 -0.14 0.00 0.00 -1.02 0.00 0.00 57.50 56.19 1ies n TRP 89 Cb 0.55 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.43 1ies n TRP 89 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ies n GLY 90 N 0.31 0.86 3.79 6.99 0.00 -1.26 -3.51 105.19 112.37 1ies n GLY 90 Ca 0.05 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 1ies n GLY 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ies s THR 91 N 0.00 1.86 0.31 2.61 -4.23 -1.26 -4.93 115.64 110.00 1ies s THR 91 Ca 0.00 -1.71 0.06 0.00 -1.18 0.00 0.00 61.69 58.86 1ies s THR 91 Cb 0.00 -2.57 0.30 0.00 1.34 0.00 0.00 72.50 71.57 1ies s THR 91 CO 0.00 0.00 1.81 0.74 -0.54 0.00 0.00 174.62 176.63 1ies h THR 92 N 1.23 0.77 -0.26 3.99 2.02 -1.98 0.15 112.91 118.83 1ies h THR 92 Ca -0.41 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 1ies h THR 92 Cb 1.28 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1ies h THR 92 CO 0.68 0.14 -0.13 0.25 0.37 0.00 0.00 175.52 176.83 1ies h LEU 93 N 0.79 0.56 -0.44 2.58 5.85 -1.95 0.18 115.31 122.89 1ies h LEU 93 Ca 0.54 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1ies h LEU 93 Cb 0.80 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1ies h LEU 93 CO -0.32 0.85 0.20 0.44 -0.34 0.00 0.00 178.44 179.27 1ies h ASP 94 N 0.27 0.58 -0.30 1.25 3.32 -1.60 -0.67 116.42 119.27 1ies h ASP 94 Ca 0.06 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1ies h ASP 94 Cb 0.64 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1ies h ASP 94 CO 0.04 0.55 0.17 0.00 -1.72 0.00 0.00 179.24 178.28 1ies h ALA 95 N 1.05 0.39 -0.67 3.45 0.00 -0.48 -1.63 119.26 121.36 1ies h ALA 95 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ies h ALA 95 Cb 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1ies h ALA 95 CO -0.02 -0.10 0.35 0.52 0.00 0.00 0.00 179.25 180.01 1ies h MET 96 N 0.38 0.94 -0.58 0.00 2.86 -0.46 0.67 114.93 118.73 1ies h MET 96 Ca 0.11 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1ies h MET 96 Cb 0.04 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 1ies h MET 96 CO -0.02 0.72 0.37 0.87 1.06 0.00 0.00 176.91 179.91 1ies h LYS 97 N 0.92 0.71 -0.45 1.72 1.57 -1.05 -0.85 116.57 119.14 1ies h LYS 97 Ca 0.23 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1ies h LYS 97 Cb 0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1ies h LYS 97 CO -0.03 0.47 0.29 0.00 -0.57 0.00 0.00 179.45 179.60 1ies h ALA 98 N 1.24 0.57 -0.43 3.86 0.00 -0.83 -2.82 119.26 120.84 1ies h ALA 98 Ca 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ies h ALA 98 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1ies h ALA 98 CO -0.08 0.03 0.21 0.00 0.00 0.00 0.00 179.25 179.42 1ies h ALA 99 N 1.15 0.56 -0.16 0.00 0.00 -0.54 -1.73 119.26 118.54 1ies h ALA 99 Ca 0.16 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1ies h ALA 99 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ies h ALA 99 CO -0.03 0.11 -0.23 0.97 0.00 0.00 0.00 179.25 180.06 1ies h ILE 100 N 0.56 1.24 -0.58 0.00 2.10 -1.08 0.10 117.51 119.84 1ies h ILE 100 Ca 0.15 -1.10 -0.04 0.00 1.08 0.00 0.00 64.86 64.95 1ies h ILE 100 Cb 0.11 1.38 -0.03 0.00 -1.09 0.00 0.00 36.82 37.19 1ies h ILE 100 CO -0.02 0.34 0.20 0.58 -1.08 0.00 0.00 178.15 178.17 1ies h VAL 101 N 0.25 1.24 0.00 2.19 2.07 -1.37 0.18 116.25 120.80 1ies h VAL 101 Ca 0.04 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1ies h VAL 101 Cb 0.56 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1ies h VAL 101 CO 0.04 0.30 -0.00 0.25 0.02 0.00 0.00 177.57 178.18 1ies h LEU 102 N 0.82 -0.00 -0.78 2.57 5.85 -0.28 -2.20 115.31 121.28 1ies h LEU 102 Ca 0.19 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1ies h LEU 102 Cb 0.26 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1ies h LEU 102 CO -0.01 0.13 0.51 -0.33 -0.34 0.00 0.00 178.44 178.40 1ies h GLU 103 N -0.13 1.04 -0.98 1.25 4.39 -0.64 -2.08 114.58 117.44 1ies h GLU 103 Ca -0.00 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.71 1ies h GLU 103 Cb 0.13 -0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 28.48 1ies h GLU 103 CO 0.00 0.70 0.62 -0.22 -1.16 0.00 0.00 179.01 178.96 1ies h LYS 104 N 1.07 1.05 -0.00 2.33 1.63 -0.50 0.20 116.57 122.34 1ies h LYS 104 Ca 0.29 -0.06 -0.17 0.00 -0.85 0.00 0.00 60.65 59.86 1ies h LYS 104 Cb -0.10 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.28 1ies h LYS 104 CO -0.06 0.69 -0.78 0.66 -3.45 0.00 0.00 179.45 176.52 1ies h SER 105 N 1.08 0.08 -0.38 4.20 4.64 -0.75 0.07 113.55 122.49 1ies h SER 105 Ca 0.45 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.67 1ies h SER 105 Cb 0.28 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1ies h SER 105 CO -0.21 0.82 0.08 -0.07 -0.87 0.00 0.00 176.83 176.58 1ies h LEU 106 N 0.04 0.58 -0.70 5.97 4.07 -0.82 -2.11 115.31 122.34 1ies h LEU 106 Ca -0.02 -0.24 -0.03 0.00 0.08 0.00 0.00 57.88 57.67 1ies h LEU 106 Cb 1.36 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.92 1ies h LEU 106 CO 0.11 0.67 0.31 -1.13 -1.08 0.00 0.00 178.44 177.32 1ies h ASN 107 N 0.46 0.93 -0.88 -0.43 -0.00 -0.30 -1.39 115.58 113.98 1ies h ASN 107 Ca 0.12 -0.15 0.03 0.00 -0.00 0.00 0.00 56.30 56.30 1ies h ASN 107 Cb 0.33 -0.24 -0.05 0.00 -0.00 0.00 0.00 38.32 38.36 1ies h ASN 107 CO 0.00 0.83 0.58 -0.61 -0.00 0.00 0.00 177.43 178.23 1ies h GLN 108 N 0.98 1.06 -0.56 6.67 5.75 -0.93 -0.91 115.11 127.17 1ies h GLN 108 Ca 0.24 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.59 1ies h GLN 108 Cb 0.16 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 1ies h GLN 108 CO -0.03 0.70 0.03 0.00 -2.65 0.00 0.00 178.83 176.89 1ies h ALA 109 N 1.49 1.00 -0.14 3.38 0.00 -0.59 0.62 119.26 125.01 1ies h ALA 109 Ca 0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ies h ALA 109 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ies h ALA 109 CO -0.10 0.62 0.05 -0.07 0.00 0.00 0.00 179.25 179.75 1ies h LEU 110 N 0.88 0.21 -0.69 0.00 3.38 -0.84 0.37 115.31 118.61 1ies h LEU 110 Ca 0.17 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1ies h LEU 110 Cb 0.47 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1ies h LEU 110 CO 0.02 0.35 0.37 -0.07 0.09 0.00 0.00 178.44 179.19 1ies h LEU 111 N 0.06 0.51 -0.47 1.67 4.07 -0.83 0.28 115.31 120.60 1ies h LEU 111 Ca 0.05 0.04 -0.05 0.00 0.08 0.00 0.00 57.88 58.00 1ies h LEU 111 Cb 0.21 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 1ies h LEU 111 CO -0.00 0.31 0.10 0.44 -1.08 0.00 0.00 178.44 178.21 1ies h ASP 112 N 0.65 0.73 -0.44 -0.43 3.32 -0.69 -1.74 116.42 117.82 1ies h ASP 112 Ca 0.32 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1ies h ASP 112 Cb 0.27 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1ies h ASP 112 CO -0.22 0.79 0.04 0.25 -1.72 0.00 0.00 179.24 178.38 1ies h LEU 113 N 0.65 0.73 -0.98 1.55 5.85 0.25 -1.52 115.31 121.84 1ies h LEU 113 Ca 0.15 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.66 1ies h LEU 113 Cb 0.35 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 1ies h LEU 113 CO 0.00 0.83 0.63 -0.74 -0.34 0.00 0.00 178.44 178.82 1ies h HIS 114 N 0.60 1.16 -0.59 1.25 2.76 -0.44 0.34 115.15 120.24 1ies h HIS 114 Ca 0.13 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.27 1ies h HIS 114 Cb 0.43 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 1ies h HIS 114 CO 0.03 0.58 0.14 0.00 -1.30 0.00 0.00 177.93 177.38 1ies h ALA 115 N 1.45 0.78 -0.18 5.26 0.00 -0.89 -1.57 119.26 124.11 1ies h ALA 115 Ca 0.43 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1ies h ALA 115 Cb 0.20 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1ies h ALA 115 CO -0.18 0.49 -0.09 1.25 0.00 0.00 0.00 179.25 180.71 1ies h LEU 116 N 0.85 -0.31 -0.49 0.00 6.46 -0.28 -0.77 115.31 120.78 1ies h LEU 116 Ca 0.18 0.07 0.10 0.00 -0.12 0.00 0.00 57.88 58.11 1ies h LEU 116 Cb 0.36 0.17 -0.08 0.00 -0.73 0.00 0.00 40.66 40.38 1ies h LEU 116 CO 0.00 -0.12 -0.03 1.23 -0.62 0.00 0.00 178.44 178.90 1ies h GLY 117 N -0.08 0.47 1.60 3.75 0.00 -0.68 0.40 103.07 108.52 1ies h GLY 117 Ca 0.10 0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.35 1ies h GLY 117 CO -0.23 -0.15 -0.63 1.48 0.00 0.00 0.00 176.54 177.01 1ies h SER 118 N 0.09 0.46 -0.60 0.19 4.64 -1.09 0.24 113.55 117.49 1ies h SER 118 Ca 0.24 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1ies h SER 118 Cb 0.37 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 1ies h SER 118 CO -0.43 0.97 0.32 0.00 -0.87 0.00 0.00 176.83 176.83 1ies h ALA 119 N 1.03 0.77 0.00 5.18 0.00 0.20 -2.06 119.26 124.38 1ies h ALA 119 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ies h ALA 119 Cb 1.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ies h ALA 119 CO 0.11 0.30 0.00 1.04 0.00 0.00 0.00 179.25 180.69 1ies n GLN 120 N -4.56 0.43 -3.45 0.00 1.13 0.13 -4.92 117.38 106.13 1ies n GLN 120 Ca 0.04 0.05 -0.19 0.00 -1.94 0.00 0.00 57.00 54.96 1ies n GLN 120 Cb 0.09 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.01 1ies n GLN 120 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ies n ALA 121 N -1.22 -2.27 -3.72 -1.58 0.00 -0.52 -5.00 120.51 106.20 1ies n ALA 121 Ca 0.13 -0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.18 1ies n ALA 121 Cb 0.16 -3.87 -0.09 0.00 0.00 0.00 0.00 19.45 15.64 1ies n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ies s ASP 122 N -3.87 5.26 0.37 0.00 -1.08 0.74 -4.95 116.67 113.15 1ies s ASP 122 Ca 0.24 -2.97 0.06 0.00 -0.52 0.00 0.00 52.55 49.36 1ies s ASP 122 Cb -0.05 -1.85 0.71 0.00 -1.46 0.00 0.00 42.92 40.27 1ies s ASP 122 CO 0.77 -0.34 1.93 1.55 0.52 0.00 0.00 175.17 179.59 1ies h PRO 123 N 6.87 0.44 -0.51 4.34 0.13 -1.94 -2.74 132.00 138.60 1ies h PRO 123 Ca 0.00 -0.08 -0.08 0.00 -0.87 0.00 0.00 66.00 64.97 1ies h PRO 123 Cb 0.93 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 1ies h PRO 123 CO 0.72 0.46 -0.01 1.25 -0.23 0.00 0.00 178.00 180.19 1ies h HIS 124 N 0.43 0.99 -0.08 1.56 -0.00 -1.97 -0.55 115.15 115.53 1ies h HIS 124 Ca 0.10 -0.17 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 1ies h HIS 124 Cb 0.26 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1ies h HIS 124 CO 0.01 0.92 -0.01 1.25 -0.00 0.00 0.00 177.93 180.10 1ies h LEU 125 N 0.77 0.14 -0.47 0.26 5.85 -1.91 0.16 115.31 120.11 1ies h LEU 125 Ca 0.14 -0.33 0.09 0.00 0.84 0.00 0.00 57.88 58.62 1ies h LEU 125 Cb 0.53 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 1ies h LEU 125 CO 0.03 0.44 -0.00 0.00 -0.34 0.00 0.00 178.44 178.57 1ies h ASP 127 N 0.11 0.14 -0.70 0.00 3.58 -0.87 -0.70 116.42 117.98 1ies h ASP 127 Ca 0.24 -0.07 0.10 0.00 0.42 0.00 0.00 57.03 57.72 1ies h ASP 127 Cb 0.35 -0.04 -0.08 0.00 1.72 0.00 0.00 39.33 41.29 1ies h ASP 127 CO -0.39 0.18 0.32 0.15 -2.88 0.00 0.00 179.24 176.61 1ies h PHE 128 N 0.10 0.56 -0.05 0.28 3.57 -0.01 0.31 116.94 121.70 1ies h PHE 128 Ca 0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1ies h PHE 128 Cb 0.06 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 1ies h PHE 128 CO -0.05 0.17 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.12 1ies h LEU 129 N 0.53 0.10 -0.63 0.59 4.07 -0.84 -1.69 115.31 117.43 1ies h LEU 129 Ca 0.36 -0.39 0.01 0.00 0.08 0.00 0.00 57.88 57.94 1ies h LEU 129 Cb 0.43 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.11 1ies h LEU 129 CO -0.30 0.47 0.42 -0.33 -1.08 0.00 0.00 178.44 177.61 1ies h GLU 130 N -0.26 0.83 -0.37 1.13 5.08 -0.78 -0.83 114.58 119.37 1ies h GLU 130 Ca 0.01 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1ies h GLU 130 Cb 0.42 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1ies h GLU 130 CO 0.01 0.55 -0.11 0.77 -1.00 0.00 0.00 179.01 179.22 1ies h SER 131 N 0.85 0.74 0.00 1.42 0.02 -0.34 -3.37 113.55 112.87 1ies h SER 131 Ca 0.23 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1ies h SER 131 Cb -0.09 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.25 1ies h SER 131 CO -0.06 0.95 -1.27 1.41 -1.14 0.00 0.00 176.83 176.73 1ies n HIS 132 N -4.35 0.00 0.00 3.45 8.25 -0.64 -4.86 115.22 117.07 1ies n HIS 132 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1ies n HIS 132 Cb 0.37 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1ies n HIS 132 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ies n PHE 133 N -1.74 0.00 -0.27 4.41 3.01 -0.53 -4.68 117.46 117.67 1ies n PHE 133 Ca -0.01 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.41 1ies n PHE 133 Cb 0.27 0.03 0.07 0.00 -0.01 0.00 0.00 39.48 39.84 1ies n PHE 133 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1ies h LEU 134 N 0.00 0.83 0.07 4.37 4.07 -1.36 -2.06 115.31 121.23 1ies h LEU 134 Ca 0.00 -0.02 -0.27 0.00 0.08 0.00 0.00 57.88 57.67 1ies h LEU 134 Cb 0.87 -0.20 0.02 0.00 1.08 0.00 0.00 40.66 42.43 1ies h LEU 134 CO 0.00 0.60 -1.09 -0.78 -1.08 0.00 0.00 178.44 176.09 1ies h ASP 135 N 0.98 0.84 -0.77 -0.43 3.58 -1.84 -2.57 116.42 116.21 1ies h ASP 135 Ca 0.28 -0.79 0.13 0.00 0.42 0.00 0.00 57.03 57.06 1ies h ASP 135 Cb -0.09 -0.26 -0.09 0.00 1.72 0.00 0.00 39.33 40.61 1ies h ASP 135 CO -0.07 1.54 0.35 -0.08 -2.88 0.00 0.00 179.24 178.10 1ies h GLU 136 N 0.25 0.52 -0.43 0.28 4.81 -1.82 -0.03 114.58 118.17 1ies h GLU 136 Ca -0.16 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.99 1ies h GLU 136 Cb 1.77 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 31.01 1ies h GLU 136 CO 0.21 0.35 0.07 1.49 -0.73 0.00 0.00 179.01 180.40 1ies h GLU 137 N 0.54 0.70 -0.49 1.92 4.57 -1.37 -0.23 114.58 120.22 1ies h GLU 137 Ca 0.41 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.35 1ies h GLU 137 Cb 0.56 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1ies h GLU 137 CO -0.35 0.74 0.09 0.28 -1.18 0.00 0.00 179.01 178.58 1ies h VAL 138 N 0.56 1.25 -0.47 0.32 2.07 -0.87 -1.65 116.25 117.47 1ies h VAL 138 Ca 0.13 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 1ies h VAL 138 Cb 0.37 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1ies h VAL 138 CO 0.01 0.32 0.16 0.11 0.02 0.00 0.00 177.57 178.19 1ies h LYS 139 N 0.68 0.71 0.01 1.57 1.57 -0.90 -2.38 116.57 117.82 1ies h LYS 139 Ca 0.15 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1ies h LYS 139 Cb 0.38 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1ies h LYS 139 CO 0.01 0.67 -0.00 1.25 -0.57 0.00 0.00 179.45 180.80 1ies h LEU 140 N 0.62 -0.01 -1.33 2.94 5.85 -0.88 -0.69 115.31 121.81 1ies h LEU 140 Ca 0.15 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1ies h LEU 140 Cb 0.24 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1ies h LEU 140 CO -0.01 0.10 0.46 0.40 -0.34 0.00 0.00 178.44 179.06 1ies h ILE 141 N -0.12 1.15 -0.49 4.05 2.04 -1.33 -0.07 117.51 122.75 1ies h ILE 141 Ca -0.00 -0.31 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 1ies h ILE 141 Cb 0.11 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1ies h ILE 141 CO 0.00 0.16 -0.15 0.50 0.00 0.00 0.00 178.15 178.67 1ies h LYS 142 N 0.90 0.96 -0.41 2.37 3.64 -1.03 0.13 116.57 123.13 1ies h LYS 142 Ca 0.26 -0.38 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1ies h LYS 142 Cb -0.04 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1ies h LYS 142 CO -0.06 1.05 0.19 -0.22 -2.27 0.00 0.00 179.45 178.14 1ies h LYS 143 N 0.81 0.38 -0.46 1.90 3.64 0.17 0.11 116.57 123.12 1ies h LYS 143 Ca 0.12 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1ies h LYS 143 Cb 0.71 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1ies h LYS 143 CO 0.05 0.25 0.00 0.52 -2.27 0.00 0.00 179.45 178.01 1ies h MET 144 N 0.40 0.76 -0.53 1.90 2.86 -0.84 -0.15 114.93 119.33 1ies h MET 144 Ca 0.18 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1ies h MET 144 Cb 0.09 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1ies h MET 144 CO -0.13 0.77 0.33 0.78 1.06 0.00 0.00 176.91 179.72 1ies h GLY 145 N 0.96 0.74 0.95 8.32 0.00 0.24 -1.10 103.07 113.19 1ies h GLY 145 Ca 0.14 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.23 1ies h GLY 145 CO 0.02 0.23 0.22 -0.55 0.00 0.00 0.00 176.54 176.46 1ies h ASP 146 N 0.67 0.37 -0.32 0.19 3.32 -0.45 -2.34 116.42 117.85 1ies h ASP 146 Ca 0.20 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1ies h ASP 146 Cb -0.03 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1ies h ASP 146 CO -0.07 0.27 0.20 0.45 -1.72 0.00 0.00 179.24 178.37 1ies h HIS 147 N 0.45 0.42 -0.44 4.55 3.86 -0.80 -1.95 115.15 121.25 1ies h HIS 147 Ca 0.14 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.42 1ies h HIS 147 Cb -0.02 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.25 1ies h HIS 147 CO -0.06 0.30 0.08 -0.07 0.86 0.00 0.00 177.93 179.03 1ies h LEU 148 N 0.42 -0.01 -0.72 2.43 3.38 -0.93 0.19 115.31 120.08 1ies h LEU 148 Ca 0.12 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 1ies h LEU 148 Cb -0.01 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1ies h LEU 148 CO -0.02 0.03 -0.57 0.71 0.09 0.00 0.00 178.44 178.68 1ies h THR 149 N 0.21 1.38 -0.45 0.22 1.35 -1.30 0.20 112.91 114.52 1ies h THR 149 Ca 0.22 -1.91 -0.13 0.00 -0.55 0.00 0.00 66.41 64.04 1ies h THR 149 Cb 0.27 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1ies h THR 149 CO -0.29 0.56 -0.22 0.78 -0.25 0.00 0.00 175.52 176.10 1ies h ASN 150 N 0.16 0.97 -0.26 5.36 4.21 -0.78 -1.26 115.58 123.97 1ies h ASN 150 Ca -0.00 -0.40 -0.02 0.00 1.21 0.00 0.00 56.30 57.08 1ies h ASN 150 Cb 1.05 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.97 1ies h ASN 150 CO 0.09 1.16 0.09 0.40 -1.29 0.00 0.00 177.43 177.87 1ies h ILE 151 N 0.77 1.19 -0.74 2.81 2.04 -0.28 -2.60 117.51 120.71 1ies h ILE 151 Ca 0.10 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.44 1ies h ILE 151 Cb 0.79 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1ies h ILE 151 CO 0.07 0.20 0.49 1.56 0.00 0.00 0.00 178.15 180.47 1ies h GLN 152 N 0.26 0.65 -0.12 2.37 4.20 -0.44 -0.09 115.11 121.94 1ies h GLN 152 Ca 0.09 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 58.56 1ies h GLN 152 Cb 0.23 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1ies h GLN 152 CO -0.00 0.43 -0.72 0.07 -0.67 0.00 0.00 178.83 177.93 1ies h ARG 153 N 0.67 0.54 -0.07 1.46 0.11 -0.94 -2.66 114.38 113.48 1ies h ARG 153 Ca 0.34 -0.43 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 1ies h ARG 153 Cb 0.44 0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.61 1ies h ARG 153 CO -0.12 1.05 -0.04 -0.07 0.10 0.00 0.00 179.97 180.90 1ies h LEU 154 N 0.38 0.16 -1.32 0.08 3.38 -1.03 -3.20 115.31 113.77 1ies h LEU 154 Ca -0.03 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 1ies h LEU 154 Cb 1.31 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1ies h LEU 154 CO 0.13 0.54 -0.34 0.58 0.09 0.00 0.00 178.44 179.44 1ies h VAL 155 N -0.22 1.21 0.05 1.22 2.07 -1.13 -2.74 116.25 116.71 1ies h VAL 155 Ca 0.02 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1ies h VAL 155 Cb 0.48 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1ies h VAL 155 CO 0.01 0.33 -0.06 1.23 0.02 0.00 0.00 177.57 179.10 1ies h GLY 156 N 1.07 -0.12 0.00 2.17 0.00 -1.46 -3.06 103.07 101.67 1ies h GLY 156 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ies h GLY 156 CO 0.04 -0.07 0.00 1.44 0.00 0.00 0.00 176.54 177.95 1ies n SER 157 N -5.18 0.00 -3.57 0.19 7.64 -1.09 -4.66 113.62 106.95 1ies n SER 157 Ca -0.07 0.80 -0.29 0.00 1.01 0.00 0.00 58.87 60.32 1ies n SER 157 Cb 0.10 -0.30 -0.15 0.00 -1.01 0.00 0.00 64.21 62.86 1ies n SER 157 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ies s GLN 158 N -2.19 0.35 0.21 1.43 -1.52 -1.06 -5.07 119.66 111.82 1ies s GLN 158 Ca 0.00 -0.75 -0.11 0.00 -1.95 0.00 0.00 55.36 52.54 1ies s GLN 158 Cb 0.00 -1.35 0.27 0.00 -0.22 0.00 0.00 33.01 31.70 1ies s GLN 158 CO 0.00 -1.04 1.68 0.00 -0.25 0.00 0.00 175.29 175.68 1ies h ALA 159 N 8.16 0.59 0.03 6.09 0.00 -1.73 0.32 119.26 132.72 1ies h ALA 159 Ca -0.15 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ies h ALA 159 Cb 1.00 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ies h ALA 159 CO 0.43 -0.38 -0.01 0.78 0.00 0.00 0.00 179.25 180.07 1ies h GLY 160 N 0.14 -0.04 0.91 0.00 0.00 -1.93 -1.28 103.07 100.87 1ies h GLY 160 Ca 0.30 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.66 1ies h GLY 160 CO -0.47 -0.01 0.17 -2.00 0.00 0.00 0.00 176.54 174.22 1ies h LEU 161 N -0.41 0.26 -0.20 3.11 5.85 -1.93 -2.21 115.31 119.78 1ies h LEU 161 Ca -0.00 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1ies h LEU 161 Cb 0.39 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 1ies h LEU 161 CO 0.01 0.19 -0.25 1.23 -0.34 0.00 0.00 178.44 179.28 1ies h GLY 162 N 0.34 -0.22 0.89 3.75 0.00 -0.29 -0.10 103.07 107.45 1ies h GLY 162 Ca 0.12 0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.78 1ies h GLY 162 CO -0.07 -0.20 0.48 0.83 0.00 0.00 0.00 176.54 177.58 1ies h GLU 163 N -0.28 0.91 -0.15 4.80 5.08 -1.10 -1.39 114.58 122.44 1ies h GLU 163 Ca 0.12 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1ies h GLU 163 Cb 0.47 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1ies h GLU 163 CO -0.36 0.60 0.07 -0.92 -1.00 0.00 0.00 179.01 177.41 1ies h TYR 164 N 0.94 0.23 -0.52 4.33 3.20 -0.73 -2.59 116.97 121.83 1ies h TYR 164 Ca 0.30 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.06 1ies h TYR 164 Cb -0.01 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1ies h TYR 164 CO -0.03 0.27 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.64 1ies h LEU 165 N 0.12 0.88 -0.18 2.82 3.38 -0.80 0.14 115.31 121.67 1ies h LEU 165 Ca 0.05 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1ies h LEU 165 Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ies h LEU 165 CO -0.01 0.97 0.11 0.15 0.09 0.00 0.00 178.44 179.75 1ies h PHE 166 N 0.83 0.24 -0.62 1.13 3.57 -1.22 0.78 116.94 121.64 1ies h PHE 166 Ca 0.15 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1ies h PHE 166 Cb 0.55 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1ies h PHE 166 CO 0.03 0.19 0.27 1.49 -2.23 0.00 0.00 178.31 178.07 1ies h GLU 167 N 0.21 0.92 0.03 1.11 4.22 -1.30 0.17 114.58 119.94 1ies h GLU 167 Ca 0.06 -0.15 -0.00 0.00 0.08 0.00 0.00 59.36 59.35 1ies h GLU 167 Cb 0.03 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1ies h GLU 167 CO -0.01 0.76 -0.01 0.00 -2.18 0.00 0.00 179.01 177.56 1ies h ARG 168 N 0.87 -0.03 0.00 1.92 -0.00 -0.31 0.49 114.38 117.31 1ies h ARG 168 Ca 0.21 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.67 1ies h ARG 168 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.14 1ies h ARG 168 CO -0.02 0.35 -1.96 1.28 0.00 0.00 0.00 179.97 179.62 1ies n LEU 169 N -4.92 0.00 -0.12 3.04 4.77 0.27 -3.47 117.00 116.56 1ies n LEU 169 Ca -0.08 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.65 1ies n LEU 169 Cb 0.21 0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1ies n LEU 169 CO 0.33 0.04 -1.26 0.41 -1.33 0.00 0.00 177.39 175.58 1ies n THR 170 N -2.24 1.39 0.08 -5.08 -1.04 0.49 -4.06 114.28 103.83 1ies n THR 170 Ca -0.06 -0.28 -0.15 0.00 -2.04 0.00 0.00 64.05 61.52 1ies n THR 170 Cb 0.57 -1.91 -0.14 0.00 -1.82 0.00 0.00 70.33 67.04 1ies n THR 170 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1ies h LEU 171 N -0.90 0.36 -1.81 -4.42 4.07 -1.20 -2.63 115.31 108.77 1ies h LEU 171 Ca -0.55 -0.43 0.00 0.00 0.08 0.00 0.00 57.88 56.98 1ies h LEU 171 Cb 1.46 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 43.09 1ies h LEU 171 CO -0.33 1.35 0.00 1.17 -1.08 0.00 0.00 178.44 179.55 1ies n LYS 172 N -3.47 2.38 -1.18 1.13 4.81 0.17 -4.45 118.16 117.55 1ies n LYS 172 Ca -0.11 -1.52 -0.02 0.00 -0.87 0.00 0.00 58.31 55.79 1ies n LYS 172 Cb 1.03 -1.55 -0.03 0.00 0.02 0.00 0.00 35.03 34.50 1ies n LYS 172 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ies n HIS 173 N 0.52 0.00 -1.57 5.64 8.25 -1.22 -4.92 115.22 121.92 1ies n HIS 173 Ca 0.14 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 1ies n HIS 173 Cb 0.50 0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.83 1ies n HIS 173 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51