#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 1.40 0.66 4.04 1.04 -1.26 -5.03 113.70 114.55 1ies s SER 2 Ca 0.00 -0.22 0.14 0.00 0.48 0.00 0.00 55.95 56.35 1ies s SER 2 Cb 0.00 -0.15 0.75 0.00 0.10 0.00 0.00 66.02 66.71 1ies s SER 2 CO 0.00 0.14 1.42 0.06 0.98 0.00 0.00 173.24 175.84 1ies h GLN 3 N 5.82 0.00 0.00 4.02 3.07 -2.01 -0.97 115.11 125.04 1ies h GLN 3 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.41 1ies h GLN 3 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.73 1ies h GLN 3 CO 0.49 0.00 -1.68 0.44 0.09 0.00 0.00 178.83 178.17 1ies n ILE 4 N -2.71 0.07 -2.06 1.86 -5.35 -1.26 -4.97 119.36 104.94 1ies n ILE 4 Ca -0.00 -0.41 -0.42 0.00 -0.27 0.00 0.00 62.75 61.65 1ies n ILE 4 Cb 0.74 0.14 -0.03 0.00 -1.74 0.00 0.00 39.64 38.75 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 -3.40 4.27 -0.27 6.28 3.52 -0.37 -4.87 118.95 124.12 1ies s ARG 5 Ca -0.04 2.22 -0.12 0.00 -0.13 0.00 0.00 55.73 57.66 1ies s ARG 5 Cb 0.14 -3.19 0.10 0.00 -1.56 0.00 0.00 34.95 30.44 1ies s ARG 5 CO 0.88 -0.50 0.62 -1.14 -0.81 0.00 0.00 175.30 174.36 1ies s GLN 6 N 0.91 0.58 -1.49 5.12 0.74 -1.26 -4.91 119.66 119.35 1ies s GLN 6 Ca 0.66 1.29 -0.09 0.00 0.05 0.00 0.00 55.36 57.26 1ies s GLN 6 Cb -0.40 0.51 0.06 0.00 1.10 0.00 0.00 33.01 34.28 1ies s GLN 6 CO 0.32 -0.19 0.81 -1.71 -0.55 0.00 0.00 175.29 173.97 1ies n ASN 7 N 4.99 -3.07 -4.04 6.67 5.15 -1.26 -4.98 115.26 118.72 1ies n ASN 7 Ca -0.15 -0.86 -0.31 0.00 -0.60 0.00 0.00 54.58 52.66 1ies n ASN 7 Cb 0.53 -3.63 -0.16 0.00 -0.53 0.00 0.00 39.78 35.99 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 -3.48 2.48 0.43 1.20 5.04 -1.26 -4.84 117.35 116.91 1ies s TYR 8 Ca 0.42 -1.52 -0.02 0.00 -2.44 0.00 0.00 57.07 53.52 1ies s TYR 8 Cb -0.22 -1.72 -0.03 0.00 0.35 0.00 0.00 41.96 40.35 1ies s TYR 8 CO 0.85 -0.74 0.67 -1.54 -1.34 0.00 0.00 175.55 173.45 1ies s SER 9 N 1.38 6.15 0.53 4.32 1.04 -1.26 -4.95 113.70 120.91 1ies s SER 9 Ca 0.02 0.58 0.32 0.00 0.48 0.00 0.00 55.95 57.35 1ies s SER 9 Cb -0.14 -1.98 1.27 0.00 0.10 0.00 0.00 66.02 65.26 1ies s SER 9 CO -0.10 -0.51 1.95 0.71 0.98 0.00 0.00 173.24 176.26 1ies h THR 10 N 0.46 0.08 -0.15 2.02 1.35 -1.99 -1.61 112.91 113.06 1ies h THR 10 Ca -0.48 -0.61 -0.22 0.00 -0.55 0.00 0.00 66.41 64.55 1ies h THR 10 Cb 1.22 1.56 0.01 0.00 -1.73 0.00 0.00 68.15 69.22 1ies h THR 10 CO 0.61 0.03 -0.75 -0.33 -0.25 0.00 0.00 175.52 174.82 1ies h GLU 11 N 0.00 0.78 -0.16 4.72 3.07 -1.99 -1.98 114.58 119.02 1ies h GLU 11 Ca -0.00 -0.64 -0.19 0.00 -0.50 0.00 0.00 59.36 58.03 1ies h GLU 11 Cb 0.56 0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.61 1ies h GLU 11 CO 0.00 1.24 -0.65 0.28 -1.40 0.00 0.00 179.01 178.49 1ies h VAL 12 N 0.51 1.30 -0.36 3.13 2.07 -1.89 -1.84 116.25 119.18 1ies h VAL 12 Ca -0.05 -1.87 0.07 0.00 0.82 0.00 0.00 66.70 65.67 1ies h VAL 12 Cb 1.39 1.97 -0.07 0.00 -1.52 0.00 0.00 31.29 33.06 1ies h VAL 12 CO 0.16 0.59 -0.10 -0.08 0.02 0.00 0.00 177.57 178.16 1ies h GLU 13 N 0.44 -0.01 -0.58 1.57 4.81 -1.28 0.15 114.58 119.67 1ies h GLU 13 Ca -0.03 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1ies h GLU 13 Cb 1.28 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1ies h GLU 13 CO 0.14 -0.01 0.04 0.00 -0.73 0.00 0.00 179.01 178.45 1ies h ALA 14 N 1.34 0.97 -0.08 2.92 0.00 -1.35 -2.18 119.26 120.88 1ies h ALA 14 Ca 0.17 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1ies h ALA 14 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ies h ALA 14 CO -0.37 0.63 -0.51 0.00 0.00 0.00 0.00 179.25 179.00 1ies h ALA 15 N 1.13 0.99 -0.23 0.00 0.00 -0.43 -1.78 119.26 118.94 1ies h ALA 15 Ca 0.17 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1ies h ALA 15 Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ies h ALA 15 CO 0.02 0.66 -0.00 0.28 0.00 0.00 0.00 179.25 180.21 1ies h VAL 16 N 0.17 1.26 -0.86 0.00 2.07 -0.56 -0.74 116.25 117.59 1ies h VAL 16 Ca 0.01 -0.89 0.11 0.00 0.82 0.00 0.00 66.70 66.74 1ies h VAL 16 Cb 0.96 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 1ies h VAL 16 CO 0.08 0.28 0.56 0.78 0.02 0.00 0.00 177.57 179.28 1ies h ASN 17 N 0.17 0.73 0.84 0.57 2.35 -1.05 0.59 115.58 119.78 1ies h ASN 17 Ca 0.06 0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 55.68 1ies h ASN 17 Cb 0.41 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1ies h ASN 17 CO 0.01 0.42 -0.76 -0.09 -1.65 0.00 0.00 177.43 175.36 1ies h ARG 18 N 0.80 0.00 -0.11 0.81 2.43 -1.02 -3.06 114.38 114.22 1ies h ARG 18 Ca 0.41 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.42 1ies h ARG 18 Cb 0.49 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1ies h ARG 18 CO -0.17 0.76 -0.62 1.25 -1.51 0.00 0.00 179.97 179.67 1ies h LEU 19 N 0.00 0.47 -0.73 3.80 5.85 0.40 -2.18 115.31 122.92 1ies h LEU 19 Ca -0.01 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1ies h LEU 19 Cb 1.38 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 1ies h LEU 19 CO 0.10 0.97 0.45 0.58 -0.34 0.00 0.00 178.44 180.20 1ies h VAL 20 N 0.30 1.06 -0.33 1.05 2.07 -0.89 -0.87 116.25 118.64 1ies h VAL 20 Ca -0.01 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1ies h VAL 20 Cb 1.16 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1ies h VAL 20 CO 0.11 0.16 0.05 -1.13 0.02 0.00 0.00 177.57 176.78 1ies h ASN 21 N 0.86 0.53 -0.89 0.57 -0.73 -1.41 -0.63 115.58 113.88 1ies h ASN 21 Ca 0.30 -0.26 0.06 0.00 1.87 0.00 0.00 56.30 58.27 1ies h ASN 21 Cb 0.08 -0.14 -0.06 0.00 0.27 0.00 0.00 38.32 38.47 1ies h ASN 21 CO -0.13 0.66 0.56 -0.07 -0.37 0.00 0.00 177.43 178.07 1ies h LEU 22 N 0.38 0.90 -0.20 0.34 4.07 -0.92 0.18 115.31 120.06 1ies h LEU 22 Ca 0.10 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.03 1ies h LEU 22 Cb 0.35 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1ies h LEU 22 CO 0.01 0.59 -0.03 1.88 -1.08 0.00 0.00 178.44 179.80 1ies h TYR 23 N 1.04 0.42 -0.69 1.13 -1.99 -0.83 -0.90 116.97 115.14 1ies h TYR 23 Ca 0.38 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 61.01 1ies h TYR 23 Cb 0.13 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 38.72 1ies h TYR 23 CO -0.02 0.60 0.36 -0.07 -0.00 0.00 0.00 178.16 179.03 1ies h LEU 24 N 0.11 0.88 -0.98 3.88 4.07 -0.61 0.60 115.31 123.27 1ies h LEU 24 Ca 0.05 -0.11 -0.10 0.00 0.08 0.00 0.00 57.88 57.81 1ies h LEU 24 Cb 0.46 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1ies h LEU 24 CO 0.02 0.74 -0.30 -0.09 -1.08 0.00 0.00 178.44 177.73 1ies h ARG 25 N 0.96 0.37 -0.57 1.13 2.43 -0.59 -1.50 114.38 116.61 1ies h ARG 25 Ca 0.24 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1ies h ARG 25 Cb 0.07 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1ies h ARG 25 CO -0.04 0.64 0.08 0.00 -1.51 0.00 0.00 179.97 179.15 1ies h ALA 26 N 1.36 0.75 -0.11 2.80 0.00 0.08 -0.48 119.26 123.67 1ies h ALA 26 Ca 0.04 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1ies h ALA 26 Cb 0.70 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1ies h ALA 26 CO 0.05 0.51 -0.25 1.03 0.00 0.00 0.00 179.25 180.60 1ies h SER 27 N 0.84 -0.76 -0.94 0.00 0.87 -0.73 -0.34 113.55 112.49 1ies h SER 27 Ca 0.17 0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.88 1ies h SER 27 Cb 0.43 0.33 -0.05 0.00 -0.44 0.00 0.00 62.40 62.67 1ies h SER 27 CO 0.01 -0.30 0.62 0.22 -0.53 0.00 0.00 176.83 176.86 1ies h TYR 28 N -0.32 1.16 -0.40 2.24 3.20 -0.94 -0.87 116.97 121.05 1ies h TYR 28 Ca 0.09 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 1ies h TYR 28 Cb 0.46 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1ies h TYR 28 CO -0.34 0.69 0.13 1.15 -1.64 0.00 0.00 178.16 178.15 1ies h THR 29 N 1.22 1.21 -0.36 1.81 2.02 -0.53 -2.33 112.91 115.96 1ies h THR 29 Ca 0.37 -0.70 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1ies h THR 29 Cb -0.04 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1ies h THR 29 CO -0.10 0.25 -0.10 1.88 0.37 0.00 0.00 175.52 177.81 1ies h TYR 30 N 0.50 0.66 -0.27 3.16 0.05 -0.48 -0.44 116.97 120.14 1ies h TYR 30 Ca 0.13 -0.10 0.04 0.00 0.05 0.00 0.00 58.73 58.85 1ies h TYR 30 Cb 0.25 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.78 1ies h TYR 30 CO 0.01 0.69 0.03 1.25 -1.05 0.00 0.00 178.16 179.09 1ies h LEU 31 N 0.56 -0.04 -0.11 3.88 5.85 -1.01 0.16 115.31 124.60 1ies h LEU 31 Ca 0.10 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1ies h LEU 31 Cb 0.51 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1ies h LEU 31 CO 0.03 0.01 0.07 -1.28 -0.34 0.00 0.00 178.44 176.93 1ies h SER 32 N 0.12 0.13 -0.50 1.25 0.87 -1.10 -1.91 113.55 112.41 1ies h SER 32 Ca 0.13 -0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1ies h SER 32 Cb 0.15 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 1ies h SER 32 CO -0.19 0.13 0.27 -0.07 -0.53 0.00 0.00 176.83 176.44 1ies h LEU 33 N 0.11 0.40 -0.13 2.23 3.38 -0.69 -2.33 115.31 118.28 1ies h LEU 33 Ca 0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ies h LEU 33 Cb 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1ies h LEU 33 CO -0.01 0.28 0.07 1.23 0.09 0.00 0.00 178.44 180.10 1ies h GLY 34 N 0.53 0.20 2.00 0.83 0.00 -0.60 -2.48 103.07 103.54 1ies h GLY 34 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1ies h GLY 34 CO -0.14 0.09 0.00 0.69 0.00 0.00 0.00 176.54 177.18 1ies n PHE 35 N -4.94 0.52 -0.04 5.60 3.72 -0.73 -2.59 117.46 119.00 1ies n PHE 35 Ca -0.05 0.19 -0.17 0.00 -0.05 0.00 0.00 57.45 57.37 1ies n PHE 35 Cb 0.08 -0.80 -0.06 0.00 -0.94 0.00 0.00 39.48 37.75 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 1.07 0.00 1.38 3.20 -0.96 -3.10 116.97 118.56 1ies h TYR 36 Ca 0.00 -0.45 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1ies h TYR 36 Cb 0.42 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1ies h TYR 36 CO 0.00 1.28 0.00 1.19 -1.64 0.00 0.00 178.16 178.99 1ies n PHE 37 N -3.97 0.00 1.03 -3.82 3.72 -1.07 -2.37 117.46 110.97 1ies n PHE 37 Ca -0.07 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.45 1ies n PHE 37 Cb 0.71 -0.07 0.14 0.00 -0.94 0.00 0.00 39.48 39.31 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 -1.07 0.78 -4.77 4.37 2.03 -1.17 -1.41 116.55 115.30 1ies n ASP 38 Ca 0.16 -0.60 -0.40 0.00 0.52 0.00 0.00 54.79 54.47 1ies n ASP 38 Cb 0.11 0.47 -0.02 0.00 -0.72 0.00 0.00 41.12 40.96 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 4.23 0.58 -0.67 0.52 -1.00 -4.67 118.95 115.02 1ies s ARG 39 Ca 0.12 2.21 0.28 0.00 -0.52 0.00 0.00 55.73 57.82 1ies s ARG 39 Cb 0.17 -2.97 1.68 0.00 0.52 0.00 0.00 34.95 34.35 1ies s ARG 39 CO 0.73 -0.29 2.16 0.38 0.02 0.00 0.00 175.30 178.29 1ies h ASP 40 N 3.15 0.00 -0.38 0.23 2.03 -1.92 0.37 116.42 119.90 1ies h ASP 40 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1ies h ASP 40 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 1ies h ASP 40 CO 0.64 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.95 1ies n ASP 41 N -3.91 2.24 0.01 4.15 5.75 -1.26 -4.03 116.55 119.51 1ies n ASP 41 Ca -0.00 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 1ies n ASP 41 Cb 0.22 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.72 0.23 -3.90 2.12 0.31 0.62 -5.08 118.33 113.34 1ies n VAL 42 Ca 0.15 0.08 -0.29 0.00 -0.01 0.00 0.00 64.34 64.27 1ies n VAL 42 Cb 0.37 -1.50 -0.00 0.00 -0.91 0.00 0.00 33.84 31.79 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 -3.09 -2.21 -3.91 3.52 0.00 0.99 -4.96 120.51 110.85 1ies n ALA 43 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.85 1ies n ALA 43 Cb 0.40 -2.25 -0.14 0.00 0.00 0.00 0.00 19.45 17.45 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 -6.89 3.98 0.11 0.00 1.02 -0.50 -4.97 118.68 111.42 1ies s LEU 44 Ca 0.17 -2.72 -0.19 0.00 0.02 0.00 0.00 54.13 51.41 1ies s LEU 44 Cb -0.07 -1.48 -0.06 0.00 0.02 0.00 0.00 46.19 44.60 1ies s LEU 44 CO 0.89 -0.27 1.66 -0.08 0.02 0.00 0.00 176.35 178.57 1ies h GLU 45 N 6.81 0.37 -0.73 1.70 4.81 -1.94 0.02 114.58 125.62 1ies h GLU 45 Ca -0.06 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1ies h GLU 45 Cb 0.93 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 1ies h GLU 45 CO 0.61 0.40 0.49 0.78 -0.73 0.00 0.00 179.01 180.55 1ies h GLY 46 N 0.26 1.03 1.29 1.92 0.00 -1.88 0.48 103.07 106.17 1ies h GLY 46 Ca 0.08 -0.37 -0.23 0.00 0.00 0.00 0.00 47.33 46.81 1ies h GLY 46 CO -0.01 0.35 -0.84 -2.08 0.00 0.00 0.00 176.54 173.97 1ies h VAL 47 N 0.96 1.30 0.09 4.60 2.07 -1.67 -0.24 116.25 123.37 1ies h VAL 47 Ca 0.28 -2.09 0.01 0.00 0.82 0.00 0.00 66.70 65.72 1ies h VAL 47 Cb -0.06 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1ies h VAL 47 CO -0.07 0.65 -0.17 0.00 0.02 0.00 0.00 177.57 178.00 1ies h HIS 49 N -0.33 0.64 -0.18 0.00 3.86 -0.63 -0.36 115.15 118.14 1ies h HIS 49 Ca 0.03 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.31 1ies h HIS 49 Cb 0.36 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.58 1ies h HIS 49 CO -0.18 0.29 -0.20 0.35 0.86 0.00 0.00 177.93 179.05 1ies h PHE 50 N 0.64 -0.52 0.00 2.45 3.57 -0.63 -0.62 116.94 121.82 1ies h PHE 50 Ca 0.30 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.67 1ies h PHE 50 Cb 0.21 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1ies h PHE 50 CO -0.09 -0.28 -0.72 0.74 -2.23 0.00 0.00 178.31 175.73 1ies h PHE 51 N -0.23 0.00 -0.54 0.41 0.04 -0.86 -2.93 116.94 112.83 1ies h PHE 51 Ca 0.12 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 1ies h PHE 51 Cb 0.40 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 1ies h PHE 51 CO -0.33 0.72 0.11 0.00 -0.60 0.00 0.00 178.31 178.21 1ies h ARG 52 N 0.00 0.89 -0.81 1.51 2.47 -0.60 -1.45 114.38 116.39 1ies h ARG 52 Ca -0.01 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 1ies h ARG 52 Cb 1.37 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 29.54 1ies h ARG 52 CO 0.09 0.85 0.48 0.93 0.56 0.00 0.00 179.97 182.88 1ies h GLU 53 N 0.78 1.09 -0.43 0.04 5.08 -0.97 -2.41 114.58 117.77 1ies h GLU 53 Ca 0.17 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1ies h GLU 53 Cb 0.38 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1ies h GLU 53 CO 0.01 0.77 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.55 1ies h LEU 54 N 1.11 0.81 -0.43 1.33 3.38 -1.33 -0.14 115.31 120.05 1ies h LEU 54 Ca 0.29 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1ies h LEU 54 Cb -0.04 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 1ies h LEU 54 CO -0.05 0.97 0.06 0.00 0.09 0.00 0.00 178.44 179.51 1ies h ALA 55 N 1.09 0.44 -0.50 1.53 0.00 -0.79 -0.12 119.26 120.92 1ies h ALA 55 Ca 0.11 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1ies h ALA 55 Cb 0.67 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1ies h ALA 55 CO 0.05 -0.34 0.15 1.49 0.00 0.00 0.00 179.25 180.59 1ies h GLU 56 N 0.18 0.78 -0.65 0.00 4.81 -1.10 -1.81 114.58 116.78 1ies h GLU 56 Ca 0.21 -0.17 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1ies h GLU 56 Cb 0.28 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 1ies h GLU 56 CO -0.30 0.73 0.36 0.93 -0.73 0.00 0.00 179.01 180.00 1ies h GLU 57 N 0.67 0.64 -0.45 1.92 5.08 -0.33 -1.87 114.58 120.25 1ies h GLU 57 Ca 0.16 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 1ies h GLU 57 Cb 0.28 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1ies h GLU 57 CO -0.00 0.42 -0.24 0.87 -1.00 0.00 0.00 179.01 179.06 1ies h LYS 58 N 0.66 0.94 -0.76 2.33 1.79 -0.65 -0.88 116.57 120.01 1ies h LYS 58 Ca 0.29 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1ies h LYS 58 Cb 0.19 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 1ies h LYS 58 CO -0.18 1.07 0.47 -0.09 -1.08 0.00 0.00 179.45 179.64 1ies h ARG 59 N 0.81 1.02 -0.72 3.15 2.43 -1.22 -1.29 114.38 118.55 1ies h ARG 59 Ca 0.10 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1ies h ARG 59 Cb 0.81 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1ies h ARG 59 CO 0.07 0.70 0.20 0.93 -1.51 0.00 0.00 179.97 180.36 1ies h GLU 60 N 1.03 1.14 -0.74 0.20 5.08 -1.06 -1.40 114.58 118.84 1ies h GLU 60 Ca 0.27 -0.26 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1ies h GLU 60 Cb -0.07 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 28.96 1ies h GLU 60 CO -0.05 0.99 0.39 0.78 -1.00 0.00 0.00 179.01 180.12 1ies h GLY 61 N 1.09 1.12 0.97 -3.84 0.00 -0.58 -0.65 103.07 101.17 1ies h GLY 61 Ca 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1ies h GLY 61 CO -0.00 0.10 0.24 0.00 0.00 0.00 0.00 176.54 176.87 1ies h ALA 62 N 1.42 0.58 -0.46 3.60 0.00 -0.97 -1.54 119.26 121.90 1ies h ALA 62 Ca 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1ies h ALA 62 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ies h ALA 62 CO -0.25 0.13 0.17 0.93 0.00 0.00 0.00 179.25 180.23 1ies h GLU 63 N 0.60 0.66 -0.06 0.00 5.08 -0.68 -1.49 114.58 118.69 1ies h GLU 63 Ca 0.16 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ies h GLU 63 Cb 0.08 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1ies h GLU 63 CO -0.02 0.55 0.04 -0.09 -1.00 0.00 0.00 179.01 178.49 1ies h ARG 64 N 0.65 0.08 -0.71 2.33 2.43 -0.75 -0.91 114.38 117.50 1ies h ARG 64 Ca 0.16 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1ies h ARG 64 Cb 0.15 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1ies h ARG 64 CO -0.01 0.08 0.46 -0.07 -1.51 0.00 0.00 179.97 178.92 1ies h LEU 65 N 0.06 0.82 -0.25 3.80 3.38 -1.07 -1.35 115.31 120.71 1ies h LEU 65 Ca 0.02 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ies h LEU 65 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1ies h LEU 65 CO -0.00 0.61 0.15 -0.07 0.09 0.00 0.00 178.44 179.21 1ies h LEU 66 N 0.97 0.30 -0.95 1.67 4.07 -1.09 0.42 115.31 120.70 1ies h LEU 66 Ca 0.26 -0.05 0.01 0.00 0.08 0.00 0.00 57.88 58.18 1ies h LEU 66 Cb -0.10 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 41.52 1ies h LEU 66 CO -0.05 0.26 0.63 0.50 -1.08 0.00 0.00 178.44 178.69 1ies h LYS 67 N 0.31 1.25 -0.44 1.13 1.63 -0.95 -2.27 116.57 117.24 1ies h LYS 67 Ca 0.09 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1ies h LYS 67 Cb 0.01 -0.28 -0.02 0.00 -0.60 0.00 0.00 32.23 31.34 1ies h LYS 67 CO -0.02 0.83 0.23 1.98 -3.45 0.00 0.00 179.45 179.03 1ies h MET 68 N 1.29 0.62 -0.47 1.90 4.05 -0.77 -1.28 114.93 120.27 1ies h MET 68 Ca 0.35 -0.08 0.09 0.00 -0.28 0.00 0.00 59.70 59.79 1ies h MET 68 Cb -0.14 -0.12 -0.09 0.00 -0.80 0.00 0.00 31.60 30.45 1ies h MET 68 CO -0.08 0.50 -0.12 0.37 0.23 0.00 0.00 176.91 177.81 1ies h GLN 69 N 0.57 -0.00 -0.61 0.39 5.75 -0.56 -0.83 115.11 119.82 1ies h GLN 69 Ca 0.15 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.58 1ies h GLN 69 Cb 0.07 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 1ies h GLN 69 CO -0.02 -0.00 0.09 -0.91 -2.65 0.00 0.00 178.83 175.34 1ies h ASN 70 N -0.00 0.95 -0.06 -0.69 2.35 -1.23 0.19 115.58 117.09 1ies h ASN 70 Ca 0.22 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1ies h ASN 70 Cb 0.34 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1ies h ASN 70 CO -0.48 0.95 -0.10 1.56 -1.65 0.00 0.00 177.43 177.71 1ies h GLN 71 N 0.93 0.34 0.00 0.81 4.20 -0.01 -2.93 115.11 118.45 1ies h GLN 71 Ca 0.19 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1ies h GLN 71 Cb 0.42 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1ies h GLN 71 CO 0.01 0.45 -0.14 0.00 -0.67 0.00 0.00 178.83 178.48 1ies h ARG 72 N 0.32 0.00 0.00 1.46 2.47 -1.02 -3.47 114.38 114.14 1ies h ARG 72 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1ies h ARG 72 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1ies h ARG 72 CO 0.02 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.96 1ies n GLY 73 N 1.30 0.96 3.90 0.04 0.00 -1.00 -4.19 105.19 106.20 1ies n GLY 73 Ca 0.05 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.03 1.60 -0.10 -0.02 0.00 0.64 -4.71 107.32 102.71 1ies s GLY 74 Ca 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.06 1ies s GLY 74 CO 0.00 -0.20 -0.15 -1.60 0.00 0.00 0.00 173.10 171.15 1ies s ARG 75 N -5.53 2.17 0.11 2.90 6.06 -1.26 -4.31 118.95 119.09 1ies s ARG 75 Ca 0.62 -0.55 -0.30 0.00 -2.50 0.00 0.00 55.73 53.00 1ies s ARG 75 Cb -0.11 -1.83 -0.06 0.00 0.06 0.00 0.00 34.95 33.01 1ies s ARG 75 CO 0.49 -0.04 1.01 0.00 -2.50 0.00 0.00 175.30 174.25 1ies s ALA 76 N 0.92 3.27 -0.02 6.12 0.00 -1.26 -4.97 121.76 125.82 1ies s ALA 76 Ca -0.08 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.55 1ies s ALA 76 Cb -0.15 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 1ies s ALA 76 CO -0.00 -0.11 -0.11 -0.51 0.00 0.00 0.00 175.76 175.03 1ies s LEU 77 N 0.07 1.87 -0.06 0.00 1.43 -1.26 -5.13 118.68 115.60 1ies s LEU 77 Ca 0.49 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 1ies s LEU 77 Cb -0.25 -0.64 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 1ies s LEU 77 CO 0.31 0.10 -0.19 -0.36 0.23 0.00 0.00 176.35 176.44 1ies s PHE 78 N 0.04 2.60 0.46 0.29 0.08 -1.26 -4.86 117.98 115.32 1ies s PHE 78 Ca -0.01 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 56.67 1ies s PHE 78 Cb -0.08 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.69 1ies s PHE 78 CO 0.00 -0.01 0.03 -0.65 -0.10 0.00 0.00 175.22 174.50 1ies s GLN 79 N -0.41 2.09 0.58 0.44 -1.52 -1.26 -5.11 119.66 114.47 1ies s GLN 79 Ca 0.04 -2.21 -0.19 0.00 -1.95 0.00 0.00 55.36 51.05 1ies s GLN 79 Cb -0.12 -1.63 -0.04 0.00 -0.22 0.00 0.00 33.01 31.00 1ies s GLN 79 CO 0.02 -0.20 1.24 -0.51 -0.25 0.00 0.00 175.29 175.59 1ies s ASP 80 N -3.81 5.19 -0.33 5.90 1.01 -1.26 -4.98 116.67 118.39 1ies s ASP 80 Ca 0.23 2.47 -0.11 0.00 0.71 0.00 0.00 52.55 55.86 1ies s ASP 80 Cb 0.06 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.38 1ies s ASP 80 CO 0.12 -1.60 0.18 -0.76 0.21 0.00 0.00 175.17 173.33 1ies s LEU 81 N -3.95 4.33 0.28 1.23 1.02 -1.26 -5.07 118.68 115.26 1ies s LEU 81 Ca 0.76 -0.61 -0.29 0.00 0.02 0.00 0.00 54.13 54.01 1ies s LEU 81 Cb -0.33 -2.04 -0.10 0.00 0.02 0.00 0.00 46.19 43.75 1ies s LEU 81 CO 0.36 -0.25 1.10 -1.10 0.02 0.00 0.00 176.35 176.49 1ies s GLN 82 N 1.62 4.64 0.86 1.70 -0.21 -1.26 -5.00 119.66 122.02 1ies s GLN 82 Ca 0.04 1.80 -0.11 0.00 0.02 0.00 0.00 55.36 57.11 1ies s GLN 82 Cb -0.18 -3.19 0.12 0.00 1.00 0.00 0.00 33.01 30.76 1ies s GLN 82 CO 0.07 0.21 1.15 -1.59 -2.12 0.00 0.00 175.29 173.02 1ies s LYS 83 N -1.41 1.36 0.64 2.91 -2.85 -1.26 -4.93 119.74 114.20 1ies s LYS 83 Ca 0.45 1.56 -0.18 0.00 -1.00 0.00 0.00 55.97 56.79 1ies s LYS 83 Cb -0.32 -1.77 -0.02 0.00 -2.06 0.00 0.00 37.83 33.66 1ies s LYS 83 CO 0.41 -2.38 1.15 -2.30 0.10 0.00 0.00 175.35 172.33 1ies n PRO 84 N -3.86 0.99 -0.15 1.78 -0.02 -1.26 -4.90 135.00 127.57 1ies n PRO 84 Ca 0.12 0.39 0.13 0.00 -2.02 0.00 0.00 63.50 62.12 1ies n PRO 84 Cb 0.52 -2.37 0.48 0.00 -0.02 0.00 0.00 33.50 32.10 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 0.45 0.44 -3.40 2.55 4.64 -1.99 -3.44 113.55 112.80 1ies h SER 85 Ca -0.50 0.02 -0.47 0.00 -0.47 0.00 0.00 61.79 60.37 1ies h SER 85 Cb 1.35 -0.07 -0.16 0.00 -0.31 0.00 0.00 62.40 63.21 1ies h SER 85 CO 0.52 0.24 -0.75 -1.10 -0.87 0.00 0.00 176.83 174.87 1ies s GLN 86 N -5.45 1.28 -0.02 4.77 -0.21 -1.26 -5.05 119.66 113.71 1ies s GLN 86 Ca -0.08 -1.49 0.16 0.00 0.02 0.00 0.00 55.36 53.97 1ies s GLN 86 Cb 0.21 -1.17 -0.25 0.00 1.00 0.00 0.00 33.01 32.80 1ies s GLN 86 CO 0.76 0.21 0.36 -0.25 -2.12 0.00 0.00 175.29 174.25 1ies n ASP 87 N -0.06 1.33 -4.08 5.90 8.00 -1.26 -4.93 116.55 121.44 1ies n ASP 87 Ca -0.10 -0.01 -0.23 0.00 0.71 0.00 0.00 54.79 55.16 1ies n ASP 87 Cb 0.59 1.72 -0.15 0.00 -0.02 0.00 0.00 41.12 43.26 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 -3.11 1.27 0.00 -1.24 2.02 -1.26 -5.02 118.70 111.36 1ies s GLU 88 Ca -0.06 -0.47 0.09 0.00 0.02 0.00 0.00 54.97 54.55 1ies s GLU 88 Cb 0.10 -1.17 0.14 0.00 0.10 0.00 0.00 34.13 33.30 1ies s GLU 88 CO 0.67 0.23 0.95 0.91 0.02 0.00 0.00 175.26 178.03 1ies n TRP 89 N 3.02 0.14 0.00 1.61 7.02 -1.26 -5.08 117.44 122.88 1ies n TRP 89 Ca -0.16 -0.17 0.00 0.00 -1.02 0.00 0.00 57.50 56.14 1ies n TRP 89 Cb 0.54 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 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 0.48 0.72 3.80 6.99 0.00 -1.26 -3.51 105.19 112.42 1ies n GLY 90 Ca 0.07 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 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 2.21 0.42 2.61 -4.23 -1.26 -4.93 115.64 110.46 1ies s THR 91 Ca 0.00 -1.59 0.17 0.00 -1.18 0.00 0.00 61.69 59.09 1ies s THR 91 Cb 0.00 -2.80 0.37 0.00 1.34 0.00 0.00 72.50 71.41 1ies s THR 91 CO 0.00 0.00 1.87 0.74 -0.54 0.00 0.00 174.62 176.69 1ies h THR 92 N 1.20 0.71 -0.26 3.99 2.02 -1.98 0.11 112.91 118.71 1ies h THR 92 Ca -0.41 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 66.55 1ies h THR 92 Cb 1.27 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1ies h THR 92 CO 0.65 0.08 -0.10 0.25 0.37 0.00 0.00 175.52 176.77 1ies h LEU 93 N 0.43 0.53 -0.21 2.58 5.85 -1.94 0.68 115.31 123.23 1ies h LEU 93 Ca 0.45 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1ies h LEU 93 Cb 1.07 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1ies h LEU 93 CO -0.17 0.80 0.04 0.44 -0.34 0.00 0.00 178.44 179.21 1ies h ASP 94 N 0.25 0.32 -0.52 1.25 3.32 -1.42 -1.19 116.42 118.45 1ies h ASP 94 Ca 0.06 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1ies h ASP 94 Cb 0.59 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1ies h ASP 94 CO 0.03 0.49 0.26 0.00 -1.72 0.00 0.00 179.24 178.30 1ies h ALA 95 N 0.85 0.67 -0.60 3.45 0.00 -0.67 -0.90 119.26 122.05 1ies h ALA 95 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ies h ALA 95 Cb 0.30 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1ies h ALA 95 CO 0.00 0.21 0.39 0.52 0.00 0.00 0.00 179.25 180.37 1ies h MET 96 N 0.69 0.80 -0.34 0.00 2.86 -0.74 -0.46 114.93 117.74 1ies h MET 96 Ca 0.18 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 1ies h MET 96 Cb 0.10 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 1ies h MET 96 CO -0.02 0.54 0.03 0.87 1.06 0.00 0.00 176.91 179.39 1ies h LYS 97 N 0.81 0.14 -0.57 1.72 1.57 -0.86 -0.02 116.57 119.36 1ies h LYS 97 Ca 0.22 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1ies h LYS 97 Cb -0.07 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1ies h LYS 97 CO -0.05 0.09 0.32 0.00 -0.57 0.00 0.00 179.45 179.24 1ies h ALA 98 N 1.27 0.73 -0.47 3.86 0.00 -0.90 -2.57 119.26 121.19 1ies h ALA 98 Ca 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ies h ALA 98 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ies h ALA 98 CO -0.24 0.24 0.20 0.00 0.00 0.00 0.00 179.25 179.45 1ies h ALA 99 N 1.15 0.60 -0.39 0.00 0.00 -0.61 -0.90 119.26 119.12 1ies h ALA 99 Ca 0.20 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1ies h ALA 99 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1ies h ALA 99 CO -0.03 0.20 -0.05 0.97 0.00 0.00 0.00 179.25 180.33 1ies h ILE 100 N 0.61 1.23 -0.59 0.00 2.10 -0.84 0.74 117.51 120.76 1ies h ILE 100 Ca 0.16 -0.99 -0.03 0.00 1.08 0.00 0.00 64.86 65.08 1ies h ILE 100 Cb 0.17 1.00 -0.03 0.00 -1.09 0.00 0.00 36.82 36.87 1ies h ILE 100 CO -0.02 0.34 0.25 0.58 -1.08 0.00 0.00 178.15 178.22 1ies h VAL 101 N 0.60 1.22 -0.24 2.19 2.07 -1.35 0.11 116.25 120.86 1ies h VAL 101 Ca 0.12 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1ies h VAL 101 Cb 0.46 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1ies h VAL 101 CO 0.02 0.27 0.15 0.25 0.02 0.00 0.00 177.57 178.28 1ies h LEU 102 N 0.81 0.28 -0.67 2.57 5.85 0.29 -2.16 115.31 122.29 1ies h LEU 102 Ca 0.20 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1ies h LEU 102 Cb 0.18 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1ies h LEU 102 CO -0.02 0.23 0.17 -0.33 -0.34 0.00 0.00 178.44 178.15 1ies h GLU 103 N 0.31 1.07 -0.70 1.25 4.39 -0.56 -2.09 114.58 118.25 1ies h GLU 103 Ca 0.09 -0.25 0.09 0.00 0.34 0.00 0.00 59.36 59.62 1ies h GLU 103 Cb -0.00 -0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 28.43 1ies h GLU 103 CO -0.02 0.95 0.34 0.87 -1.16 0.00 0.00 179.01 179.99 1ies h LYS 104 N 1.00 0.56 -0.46 2.33 6.56 -0.63 0.28 116.57 126.21 1ies h LYS 104 Ca 0.21 -0.03 -0.13 0.00 -1.06 0.00 0.00 60.65 59.64 1ies h LYS 104 Cb 0.36 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 1ies h LYS 104 CO 0.00 0.37 -0.21 0.66 -2.06 0.00 0.00 179.45 178.21 1ies h SER 105 N 0.58 0.96 -0.69 0.86 4.64 -0.98 -0.28 113.55 118.63 1ies h SER 105 Ca 0.34 -0.35 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1ies h SER 105 Cb 0.37 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 1ies h SER 105 CO -0.27 1.13 0.46 0.25 -0.87 0.00 0.00 176.83 177.52 1ies h LEU 106 N 0.81 0.79 -0.46 5.97 5.85 -0.73 -1.40 115.31 126.14 1ies h LEU 106 Ca 0.11 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1ies h LEU 106 Cb 0.77 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1ies h LEU 106 CO 0.06 0.57 0.05 -1.13 -0.34 0.00 0.00 178.44 177.66 1ies h ASN 107 N 0.93 0.74 -0.92 1.25 -0.00 -0.14 -1.76 115.58 115.69 1ies h ASN 107 Ca 0.25 -0.27 0.04 0.00 -0.00 0.00 0.00 56.30 56.32 1ies h ASN 107 Cb -0.10 -0.20 -0.05 0.00 -0.00 0.00 0.00 38.32 37.97 1ies h ASN 107 CO -0.06 0.83 0.60 -0.61 -0.00 0.00 0.00 177.43 178.19 1ies h GLN 108 N 0.63 1.10 -0.73 6.67 5.75 -0.82 -1.36 115.11 126.36 1ies h GLN 108 Ca 0.14 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1ies h GLN 108 Cb 0.42 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 1ies h GLN 108 CO 0.01 0.73 0.41 0.00 -2.65 0.00 0.00 178.83 177.34 1ies h ALA 109 N 1.47 0.93 -0.29 3.38 0.00 -0.78 0.50 119.26 124.46 1ies h ALA 109 Ca 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1ies h ALA 109 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ies h ALA 109 CO -0.12 0.43 0.10 -0.07 0.00 0.00 0.00 179.25 179.58 1ies h LEU 110 N 1.00 0.42 -0.35 0.00 3.38 -0.83 -0.27 115.31 118.66 1ies h LEU 110 Ca 0.26 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1ies h LEU 110 Cb 0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1ies h LEU 110 CO -0.04 0.51 0.15 -0.07 0.09 0.00 0.00 178.44 179.07 1ies h LEU 111 N 0.32 0.19 -1.25 1.67 4.07 -1.07 0.37 115.31 119.61 1ies h LEU 111 Ca 0.10 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.03 1ies h LEU 111 Cb 0.23 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1ies h LEU 111 CO -0.00 0.15 -0.10 0.44 -1.08 0.00 0.00 178.44 177.84 1ies h ASP 112 N 0.31 0.37 -0.26 -0.43 3.32 -0.69 -0.24 116.42 118.80 1ies h ASP 112 Ca 0.15 -0.08 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 1ies h ASP 112 Cb 0.10 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ies h ASP 112 CO -0.13 0.51 -0.47 0.25 -1.72 0.00 0.00 179.24 177.68 1ies h LEU 113 N 0.36 0.86 -0.47 1.55 5.85 -0.13 -2.27 115.31 121.06 1ies h LEU 113 Ca 0.07 -0.53 0.03 0.00 0.84 0.00 0.00 57.88 58.29 1ies h LEU 113 Cb 0.41 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1ies h LEU 113 CO 0.02 1.23 0.25 -0.74 -0.34 0.00 0.00 178.44 178.86 1ies h HIS 114 N 0.51 0.47 -0.53 1.25 2.76 0.16 0.58 115.15 120.36 1ies h HIS 114 Ca 0.01 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.24 1ies h HIS 114 Cb 1.07 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.85 1ies h HIS 114 CO 0.08 0.25 0.28 0.00 -1.30 0.00 0.00 177.93 177.24 1ies h ALA 115 N 1.23 0.68 -0.24 5.26 0.00 -1.02 -1.42 119.26 123.75 1ies h ALA 115 Ca 0.20 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1ies h ALA 115 Cb 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1ies h ALA 115 CO -0.12 -0.05 -0.00 1.25 0.00 0.00 0.00 179.25 180.33 1ies h LEU 116 N 0.54 -0.09 -0.60 0.00 6.46 -0.75 -0.64 115.31 120.22 1ies h LEU 116 Ca 0.23 0.05 0.10 0.00 -0.12 0.00 0.00 57.88 58.15 1ies h LEU 116 Cb 0.11 0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 40.06 1ies h LEU 116 CO -0.15 -0.02 0.18 1.23 -0.62 0.00 0.00 178.44 179.06 1ies h GLY 117 N 0.07 0.81 0.93 3.75 0.00 -0.25 0.14 103.07 108.52 1ies h GLY 117 Ca 0.11 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 1ies h GLY 117 CO -0.19 -0.07 -0.22 1.48 0.00 0.00 0.00 176.54 177.54 1ies h SER 118 N 0.33 0.68 -0.81 0.19 4.64 -1.02 0.64 113.55 118.19 1ies h SER 118 Ca 0.31 -0.45 0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1ies h SER 118 Cb 0.43 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 62.27 1ies h SER 118 CO -0.36 0.98 0.47 0.00 -0.87 0.00 0.00 176.83 177.06 1ies h ALA 119 N 0.72 1.14 0.00 5.18 0.00 0.14 0.61 119.26 127.05 1ies h ALA 119 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ies h ALA 119 Cb 0.77 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ies h ALA 119 CO 0.06 0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.47 1ies n GLN 120 N -4.73 0.83 -3.50 0.00 1.13 0.37 -4.92 117.38 106.57 1ies n GLN 120 Ca 0.13 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.94 1ies n GLN 120 Cb 0.25 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.15 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 -1.07 -2.53 -3.72 -1.58 0.00 0.21 -4.98 120.51 106.83 1ies n ALA 121 Ca 0.21 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.20 1ies n ALA 121 Cb 0.14 -4.71 -0.09 0.00 0.00 0.00 0.00 19.45 14.78 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 -3.42 5.26 0.30 0.00 -1.08 0.21 -4.95 116.67 113.00 1ies s ASP 122 Ca 0.46 -3.01 0.01 0.00 -0.52 0.00 0.00 52.55 49.49 1ies s ASP 122 Cb -0.12 -1.85 0.47 0.00 -1.46 0.00 0.00 42.92 39.97 1ies s ASP 122 CO 0.81 -0.33 1.83 1.55 0.52 0.00 0.00 175.17 179.55 1ies h PRO 123 N 6.82 0.68 -0.61 4.34 0.13 -1.94 -2.69 132.00 138.74 1ies h PRO 123 Ca 0.01 -0.15 -0.10 0.00 -0.87 0.00 0.00 66.00 64.89 1ies h PRO 123 Cb 0.93 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 1ies h PRO 123 CO 0.73 0.67 -0.01 1.25 -0.23 0.00 0.00 178.00 180.40 1ies h HIS 124 N 0.65 1.18 -0.03 1.56 -0.00 -1.96 -0.26 115.15 116.29 1ies h HIS 124 Ca 0.14 -0.21 -0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1ies h HIS 124 Cb 0.35 -0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1ies h HIS 124 CO 0.02 1.04 0.00 1.25 -0.00 0.00 0.00 177.93 180.24 1ies h LEU 125 N 0.98 0.04 -0.57 0.26 5.85 -1.92 0.57 115.31 120.53 1ies h LEU 125 Ca 0.17 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.67 1ies h LEU 125 Cb 0.58 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 1ies h LEU 125 CO 0.03 0.34 0.21 0.00 -0.34 0.00 0.00 178.44 178.68 1ies h ASP 127 N 0.39 -0.10 -0.63 0.00 3.58 -0.88 -0.21 116.42 118.57 1ies h ASP 127 Ca 0.28 -0.10 0.13 0.00 0.42 0.00 0.00 57.03 57.76 1ies h ASP 127 Cb 0.33 0.03 -0.10 0.00 1.72 0.00 0.00 39.33 41.31 1ies h ASP 127 CO -0.28 0.03 0.10 0.15 -2.88 0.00 0.00 179.24 176.36 1ies h PHE 128 N -0.23 0.14 -0.03 0.28 3.57 -0.25 0.21 116.94 120.63 1ies h PHE 128 Ca -0.01 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1ies h PHE 128 Cb 0.19 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1ies h PHE 128 CO -0.04 -0.08 0.00 -0.07 -2.23 0.00 0.00 178.31 175.89 1ies h LEU 129 N 0.21 0.06 -0.08 0.59 4.07 -0.79 -1.22 115.31 118.14 1ies h LEU 129 Ca 0.34 -0.28 0.03 0.00 0.08 0.00 0.00 57.88 58.04 1ies h LEU 129 Cb 0.53 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 1ies h LEU 129 CO -0.46 0.33 -0.10 -0.33 -1.08 0.00 0.00 178.44 176.79 1ies h GLU 130 N -0.21 -0.13 -0.21 1.13 5.08 -0.56 -1.21 114.58 118.47 1ies h GLU 130 Ca 0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ies h GLU 130 Cb 0.29 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1ies h GLU 130 CO 0.00 -0.09 0.13 0.77 -1.00 0.00 0.00 179.01 178.82 1ies h SER 131 N -0.14 0.22 0.00 1.42 0.02 -0.52 -3.33 113.55 111.21 1ies h SER 131 Ca 0.07 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1ies h SER 131 Cb 0.24 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1ies h SER 131 CO -0.17 0.16 -1.39 1.41 -1.14 0.00 0.00 176.83 175.70 1ies n HIS 132 N -4.96 0.00 0.00 3.45 8.25 -0.47 -4.82 115.22 116.67 1ies n HIS 132 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1ies n HIS 132 Cb 0.03 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.90 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 -1.82 0.00 -0.30 4.41 3.01 -0.55 -4.66 117.46 117.55 1ies n PHE 133 Ca -0.01 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.40 1ies n PHE 133 Cb 0.35 0.04 0.07 0.00 -0.01 0.00 0.00 39.48 39.93 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 1.06 0.15 4.37 4.07 -1.42 -1.74 115.31 121.79 1ies h LEU 134 Ca 0.00 -0.13 -0.31 0.00 0.08 0.00 0.00 57.88 57.52 1ies h LEU 134 Cb 0.79 -0.27 0.03 0.00 1.08 0.00 0.00 40.66 42.29 1ies h LEU 134 CO 0.00 0.89 -1.30 -0.78 -1.08 0.00 0.00 178.44 176.16 1ies h ASP 135 N 1.15 0.86 -0.80 -0.43 3.58 -1.84 -2.77 116.42 116.18 1ies h ASP 135 Ca 0.28 -0.83 0.14 0.00 0.42 0.00 0.00 57.03 57.04 1ies h ASP 135 Cb 0.10 -0.27 -0.09 0.00 1.72 0.00 0.00 39.33 40.79 1ies h ASP 135 CO -0.04 1.63 0.38 -0.08 -2.88 0.00 0.00 179.24 178.25 1ies h GLU 136 N 0.24 0.55 -0.57 0.28 4.81 -1.79 0.10 114.58 118.20 1ies h GLU 136 Ca -0.20 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.92 1ies h GLU 136 Cb 1.98 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 31.21 1ies h GLU 136 CO 0.25 0.36 0.05 1.49 -0.73 0.00 0.00 179.01 180.43 1ies h GLU 137 N 0.56 0.93 -0.21 1.92 4.57 -1.36 -0.48 114.58 120.51 1ies h GLU 137 Ca 0.43 -0.25 -0.19 0.00 -1.18 0.00 0.00 59.36 58.17 1ies h GLU 137 Cb 0.59 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1ies h GLU 137 CO -0.36 0.89 -0.63 0.28 -1.18 0.00 0.00 179.01 178.01 1ies h VAL 138 N 0.87 1.29 -0.42 0.32 2.07 -0.74 -2.34 116.25 117.32 1ies h VAL 138 Ca 0.17 -1.85 -0.15 0.00 0.82 0.00 0.00 66.70 65.69 1ies h VAL 138 Cb 0.44 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1ies h VAL 138 CO 0.02 0.59 -0.33 0.11 0.02 0.00 0.00 177.57 177.97 1ies h LYS 139 N 0.55 0.95 -0.30 1.57 1.57 -1.09 -2.48 116.57 117.35 1ies h LYS 139 Ca -0.01 -0.47 -0.06 0.00 -1.87 0.00 0.00 60.65 58.25 1ies h LYS 139 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 1ies h LYS 139 CO 0.13 1.13 -0.03 1.25 -0.57 0.00 0.00 179.45 181.36 1ies h LEU 140 N 0.79 0.55 -1.72 2.94 5.85 -1.07 -0.02 115.31 122.62 1ies h LEU 140 Ca 0.08 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1ies h LEU 140 Cb 0.92 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 1ies h LEU 140 CO 0.09 0.75 -0.11 0.40 -0.34 0.00 0.00 178.44 179.22 1ies h ILE 141 N 0.33 1.10 -0.15 4.05 2.04 -1.47 -0.62 117.51 122.79 1ies h ILE 141 Ca 0.08 -0.45 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 1ies h ILE 141 Cb 0.48 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1ies h ILE 141 CO 0.02 0.13 -0.22 0.50 0.00 0.00 0.00 178.15 178.58 1ies h LYS 142 N 0.03 0.41 -0.50 2.37 3.64 -0.89 -1.33 116.57 120.31 1ies h LYS 142 Ca 0.01 -0.25 0.09 0.00 -1.27 0.00 0.00 60.65 59.23 1ies h LYS 142 Cb 0.22 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.99 1ies h LYS 142 CO 0.02 0.83 0.07 -0.22 -2.27 0.00 0.00 179.45 177.87 1ies h LYS 143 N 0.03 0.19 -0.62 1.90 3.64 -0.30 0.89 116.57 122.30 1ies h LYS 143 Ca 0.01 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1ies h LYS 143 Cb 0.79 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 1ies h LYS 143 CO 0.05 0.12 0.19 0.52 -2.27 0.00 0.00 179.45 178.07 1ies h MET 144 N 0.19 0.93 -0.51 1.90 2.86 -1.13 0.46 114.93 119.64 1ies h MET 144 Ca 0.25 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1ies h MET 144 Cb 0.36 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1ies h MET 144 CO -0.36 0.80 0.32 0.78 1.06 0.00 0.00 176.91 179.51 1ies h GLY 145 N 1.02 0.73 0.91 8.32 0.00 0.02 -0.84 103.07 113.23 1ies h GLY 145 Ca 0.20 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.26 1ies h GLY 145 CO -0.01 0.28 0.28 -0.55 0.00 0.00 0.00 176.54 176.54 1ies h ASP 146 N 0.69 0.46 -0.12 0.19 3.32 -0.29 -2.47 116.42 118.20 1ies h ASP 146 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1ies h ASP 146 Cb -0.05 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1ies h ASP 146 CO -0.04 0.33 0.08 0.45 -1.72 0.00 0.00 179.24 178.34 1ies h HIS 147 N 0.56 0.15 -0.93 4.55 3.86 -0.66 -2.00 115.15 120.68 1ies h HIS 147 Ca 0.18 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.48 1ies h HIS 147 Cb -0.00 -0.05 -0.07 0.00 1.06 0.00 0.00 27.41 28.34 1ies h HIS 147 CO -0.06 0.10 0.58 -0.07 0.86 0.00 0.00 177.93 179.34 1ies h LEU 148 N 0.15 0.89 -0.39 2.43 3.38 -0.96 0.91 115.31 121.72 1ies h LEU 148 Ca 0.04 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 1ies h LEU 148 Cb -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ies h LEU 148 CO -0.01 0.53 -0.77 0.71 0.09 0.00 0.00 178.44 178.99 1ies h THR 149 N 1.00 1.51 -0.37 0.22 1.35 -1.29 0.98 112.91 116.31 1ies h THR 149 Ca 0.43 -2.69 -0.11 0.00 -0.55 0.00 0.00 66.41 63.50 1ies h THR 149 Cb 0.29 2.47 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 1ies h THR 149 CO -0.21 0.76 -0.19 0.78 -0.25 0.00 0.00 175.52 176.40 1ies h ASN 150 N 0.00 0.81 -0.21 5.36 -0.26 -0.94 -1.20 115.58 119.14 1ies h ASN 150 Ca -0.01 -0.41 -0.02 0.00 -0.56 0.00 0.00 56.30 55.30 1ies h ASN 150 Cb 1.40 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 38.43 1ies h ASN 150 CO 0.10 1.04 0.05 0.40 -1.06 0.00 0.00 177.43 177.96 1ies h ILE 151 N 0.58 1.21 -0.36 2.81 2.04 -0.70 -2.70 117.51 120.40 1ies h ILE 151 Ca 0.08 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.26 1ies h ILE 151 Cb 0.74 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1ies h ILE 151 CO 0.06 0.22 0.24 1.56 0.00 0.00 0.00 178.15 180.22 1ies h GLN 152 N 0.16 0.44 -0.02 2.37 4.20 -0.70 0.41 115.11 121.97 1ies h GLN 152 Ca 0.07 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.58 1ies h GLN 152 Cb 0.29 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1ies h GLN 152 CO 0.00 0.29 -0.75 0.07 -0.67 0.00 0.00 178.83 177.77 1ies h ARG 153 N 0.46 0.14 0.04 1.46 0.11 -1.05 -2.49 114.38 113.04 1ies h ARG 153 Ca 0.14 -0.13 -0.00 0.00 0.10 0.00 0.00 59.98 60.09 1ies h ARG 153 Cb -0.01 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1ies h ARG 153 CO -0.03 0.82 -0.02 -0.07 0.10 0.00 0.00 179.97 180.78 1ies h LEU 154 N 0.09 -0.04 -1.15 0.08 3.38 -1.04 -3.11 115.31 113.51 1ies h LEU 154 Ca -0.02 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 1ies h LEU 154 Cb 1.32 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1ies h LEU 154 CO 0.11 0.48 -0.39 0.58 0.09 0.00 0.00 178.44 179.30 1ies h VAL 155 N -0.58 1.29 -0.77 1.22 2.07 -1.05 -1.52 116.25 116.91 1ies h VAL 155 Ca -0.01 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.09 1ies h VAL 155 Cb 0.52 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1ies h VAL 155 CO 0.01 0.40 0.34 1.23 0.02 0.00 0.00 177.57 179.57 1ies h GLY 156 N 1.19 1.21 0.00 2.17 0.00 -1.49 -3.00 103.07 103.16 1ies h GLY 156 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1ies h GLY 156 CO 0.05 0.59 0.00 1.44 0.00 0.00 0.00 176.54 178.63 1ies n SER 157 N -4.30 0.00 -3.63 0.19 7.64 -0.65 -4.79 113.62 108.09 1ies n SER 157 Ca 0.07 0.48 -0.29 0.00 1.01 0.00 0.00 58.87 60.14 1ies n SER 157 Cb 0.16 -0.26 -0.15 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.18 0.42 0.27 1.43 -1.52 -0.76 -5.04 119.66 113.29 1ies s GLN 158 Ca 0.00 -0.76 -0.08 0.00 -1.95 0.00 0.00 55.36 52.57 1ies s GLN 158 Cb 0.00 -1.54 0.45 0.00 -0.22 0.00 0.00 33.01 31.70 1ies s GLN 158 CO 0.00 -0.99 1.57 0.00 -0.25 0.00 0.00 175.29 175.61 1ies h ALA 159 N 8.27 0.65 -0.01 6.09 0.00 -1.71 0.70 119.26 133.25 1ies h ALA 159 Ca -0.17 0.37 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ies h ALA 159 Cb 1.02 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1ies h ALA 159 CO 0.45 -0.39 -0.01 0.78 0.00 0.00 0.00 179.25 180.08 1ies h GLY 160 N 0.00 0.02 1.01 0.00 0.00 -1.93 -1.04 103.07 101.13 1ies h GLY 160 Ca 0.46 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.78 1ies h GLY 160 CO -0.98 0.02 0.45 -2.00 0.00 0.00 0.00 176.54 174.02 1ies h LEU 161 N -0.50 0.78 0.26 3.11 5.85 -1.88 -2.24 115.31 120.69 1ies h LEU 161 Ca 0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ies h LEU 161 Cb 0.53 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1ies h LEU 161 CO 0.00 0.56 -0.21 1.23 -0.34 0.00 0.00 178.44 179.69 1ies h GLY 162 N 0.91 -0.49 0.59 3.75 0.00 0.47 -0.70 103.07 107.60 1ies h GLY 162 Ca 0.25 0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.86 1ies h GLY 162 CO -0.05 -0.20 0.05 0.83 0.00 0.00 0.00 176.54 177.17 1ies h GLU 163 N -0.48 0.16 0.06 4.80 5.08 -1.17 -1.11 114.58 121.92 1ies h GLU 163 Ca -0.02 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ies h GLU 163 Cb 0.42 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1ies h GLU 163 CO -0.01 0.11 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.07 1ies h TYR 164 N 0.16 -0.29 -0.51 4.33 3.20 -1.20 -2.12 116.97 120.55 1ies h TYR 164 Ca 0.15 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1ies h TYR 164 Cb 0.18 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1ies h TYR 164 CO -0.19 -0.17 0.16 -0.07 -1.64 0.00 0.00 178.16 176.25 1ies h LEU 165 N -0.22 0.69 0.26 2.82 3.38 -0.97 0.11 115.31 121.37 1ies h LEU 165 Ca 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1ies h LEU 165 Cb 0.24 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ies h LEU 165 CO -0.07 0.66 -0.12 0.15 0.09 0.00 0.00 178.44 179.14 1ies h PHE 166 N 0.74 -0.32 -0.65 1.13 3.57 -1.06 0.80 116.94 121.15 1ies h PHE 166 Ca 0.17 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1ies h PHE 166 Cb 0.21 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1ies h PHE 166 CO 0.01 -0.16 0.41 1.49 -2.23 0.00 0.00 178.31 177.83 1ies h GLU 167 N -0.39 0.87 -0.08 1.11 4.22 -1.07 0.14 114.58 119.38 1ies h GLU 167 Ca -0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.32 1ies h GLU 167 Cb 0.30 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ies h GLU 167 CO 0.06 0.59 -0.02 -0.09 -2.18 0.00 0.00 179.01 177.37 1ies h ARG 168 N 0.88 0.16 0.00 1.92 9.65 -0.54 0.70 114.38 127.14 1ies h ARG 168 Ca 0.24 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.97 1ies h ARG 168 Cb -0.07 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 1ies h ARG 168 CO -0.05 0.48 -2.06 1.28 2.80 0.00 0.00 179.97 182.42 1ies n LEU 169 N -4.80 0.00 -0.12 3.80 4.77 0.27 -3.51 117.00 117.42 1ies n LEU 169 Ca -0.07 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.66 1ies n LEU 169 Cb 0.23 0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 1ies n LEU 169 CO 0.35 0.12 -1.34 0.41 -1.33 0.00 0.00 177.39 175.60 1ies n THR 170 N -2.36 1.35 0.03 -5.08 -1.04 0.44 -3.97 114.28 103.64 1ies n THR 170 Ca -0.11 -0.36 -0.10 0.00 -2.04 0.00 0.00 64.05 61.44 1ies n THR 170 Cb 0.70 -1.78 -0.13 0.00 -1.82 0.00 0.00 70.33 67.29 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 -0.79 0.09 -1.97 -4.42 4.07 -1.22 -2.60 115.31 108.48 1ies h LEU 171 Ca -0.61 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.22 1ies h LEU 171 Cb 1.57 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.28 1ies h LEU 171 CO -0.35 1.11 0.00 1.17 -1.08 0.00 0.00 178.44 179.29 1ies n LYS 172 N -3.27 2.56 -1.16 1.13 4.81 0.24 -4.49 118.16 117.98 1ies n LYS 172 Ca -0.10 -1.66 -0.02 0.00 -0.87 0.00 0.00 58.31 55.66 1ies n LYS 172 Cb 1.00 -1.61 -0.03 0.00 0.02 0.00 0.00 35.03 34.41 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 0.57 0.00 -1.95 5.64 8.25 -1.22 -4.93 115.22 121.58 1ies n HIS 173 Ca 0.15 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 1ies n HIS 173 Cb 0.56 0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.90 1ies n HIS 173 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51