#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 2.83 0.62 4.04 1.04 -1.26 -5.02 113.70 115.95 1ies s SER 2 Ca 0.00 -0.53 0.23 0.00 0.48 0.00 0.00 55.95 56.13 1ies s SER 2 Cb 0.00 -0.26 0.82 0.00 0.10 0.00 0.00 66.02 66.68 1ies s SER 2 CO 0.00 0.23 1.30 0.06 0.98 0.00 0.00 173.24 175.81 1ies h GLN 3 N 4.98 0.00 0.00 4.02 3.07 -2.01 -1.31 115.11 123.86 1ies h GLN 3 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 1ies h GLN 3 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 1ies h GLN 3 CO 0.44 0.00 -1.60 0.44 0.09 0.00 0.00 178.83 178.20 1ies n ILE 4 N -3.15 0.13 -1.96 1.86 -5.35 -1.26 -4.96 119.36 104.67 1ies n ILE 4 Ca 0.18 -0.43 -0.42 0.00 -0.27 0.00 0.00 62.75 61.81 1ies n ILE 4 Cb 1.38 0.06 -0.03 0.00 -1.74 0.00 0.00 39.64 39.31 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 4.23 -0.25 6.28 3.52 -0.50 -4.85 118.95 123.98 1ies s ARG 5 Ca -0.04 2.32 -0.09 0.00 -0.13 0.00 0.00 55.73 57.79 1ies s ARG 5 Cb 0.13 -3.19 0.11 0.00 -1.56 0.00 0.00 34.95 30.44 1ies s ARG 5 CO 0.87 -0.59 0.56 -1.14 -0.81 0.00 0.00 175.30 174.19 1ies s GLN 6 N 1.22 0.49 -1.67 5.12 0.74 -1.26 -4.91 119.66 119.39 1ies s GLN 6 Ca 0.70 1.25 -0.03 0.00 0.05 0.00 0.00 55.36 57.33 1ies s GLN 6 Cb -0.43 0.57 0.00 0.00 1.10 0.00 0.00 33.01 34.25 1ies s GLN 6 CO 0.31 -0.21 0.35 -1.71 -0.55 0.00 0.00 175.29 173.48 1ies n ASN 7 N 5.26 -6.08 -4.16 6.67 5.15 -1.26 -4.99 115.26 115.85 1ies n ASN 7 Ca -0.12 -0.17 -0.34 0.00 -0.60 0.00 0.00 54.58 53.35 1ies n ASN 7 Cb 0.50 -4.97 -0.15 0.00 -0.53 0.00 0.00 39.78 34.63 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 -3.13 3.00 0.39 1.20 5.04 -1.26 -4.80 117.35 117.79 1ies s TYR 8 Ca 0.17 -1.69 -0.01 0.00 -2.44 0.00 0.00 57.07 53.11 1ies s TYR 8 Cb -0.08 -1.99 -0.03 0.00 0.35 0.00 0.00 41.96 40.21 1ies s TYR 8 CO 0.21 -0.77 0.61 -1.54 -1.34 0.00 0.00 175.55 172.72 1ies s SER 9 N 1.28 6.24 0.30 4.32 1.04 -1.26 -4.96 113.70 120.66 1ies s SER 9 Ca 0.00 0.54 0.11 0.00 0.48 0.00 0.00 55.95 57.08 1ies s SER 9 Cb -0.16 -2.03 0.48 0.00 0.10 0.00 0.00 66.02 64.41 1ies s SER 9 CO -0.07 -0.40 1.69 0.71 0.98 0.00 0.00 173.24 176.14 1ies h THR 10 N 0.60 1.38 -0.57 2.02 1.35 -1.98 -0.12 112.91 115.58 1ies h THR 10 Ca -0.49 -1.80 0.02 0.00 -0.55 0.00 0.00 66.41 63.59 1ies h THR 10 Cb 1.22 1.96 -0.03 0.00 -1.73 0.00 0.00 68.15 69.57 1ies h THR 10 CO 0.61 0.52 0.35 -0.33 -0.25 0.00 0.00 175.52 176.42 1ies h GLU 11 N 0.02 0.68 -0.05 4.72 3.07 -1.99 0.81 114.58 121.85 1ies h GLU 11 Ca -0.00 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1ies h GLU 11 Cb 0.94 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1ies h GLU 11 CO 0.07 0.45 -0.08 0.28 -1.40 0.00 0.00 179.01 178.33 1ies h VAL 12 N 0.70 1.42 -0.83 3.13 2.07 -1.92 -1.53 116.25 119.29 1ies h VAL 12 Ca 0.22 -1.35 0.14 0.00 0.82 0.00 0.00 66.70 66.53 1ies h VAL 12 Cb -0.01 2.21 -0.09 0.00 -1.52 0.00 0.00 31.29 31.88 1ies h VAL 12 CO -0.08 0.37 0.43 -0.08 0.02 0.00 0.00 177.57 178.22 1ies h GLU 13 N -0.36 0.61 -0.41 1.57 4.81 -0.81 0.24 114.58 120.23 1ies h GLU 13 Ca 0.00 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1ies h GLU 13 Cb 0.64 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1ies h GLU 13 CO 0.02 0.40 -0.29 0.00 -0.73 0.00 0.00 179.01 178.41 1ies h ALA 14 N 1.54 0.59 -0.56 2.92 0.00 -0.79 -2.31 119.26 120.66 1ies h ALA 14 Ca 0.44 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ies h ALA 14 Cb 0.60 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1ies h ALA 14 CO -0.35 0.63 0.17 0.00 0.00 0.00 0.00 179.25 179.70 1ies h ALA 15 N 0.81 0.73 -0.35 0.00 0.00 -0.04 -1.45 119.26 118.95 1ies h ALA 15 Ca 0.08 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ies h ALA 15 Cb 0.87 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ies h ALA 15 CO 0.08 0.40 0.22 0.28 0.00 0.00 0.00 179.25 180.22 1ies h VAL 16 N 0.78 1.06 -0.27 0.00 2.07 -0.52 -0.23 116.25 119.14 1ies h VAL 16 Ca 0.18 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1ies h VAL 16 Cb 0.29 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1ies h VAL 16 CO -0.00 0.08 0.18 0.78 0.02 0.00 0.00 177.57 178.63 1ies h ASN 17 N 0.44 0.19 0.25 0.57 2.35 -0.81 -0.30 115.58 118.27 1ies h ASN 17 Ca 0.13 -0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.63 1ies h ASN 17 Cb -0.02 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.32 1ies h ASN 17 CO -0.05 0.13 -1.04 -0.09 -1.65 0.00 0.00 177.43 174.73 1ies h ARG 18 N 0.22 0.50 -0.76 0.81 2.43 -0.55 -3.15 114.38 113.89 1ies h ARG 18 Ca 0.12 -0.58 -0.05 0.00 -0.81 0.00 0.00 59.98 58.65 1ies h ARG 18 Cb 0.19 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1ies h ARG 18 CO -0.02 1.21 0.27 1.25 -1.51 0.00 0.00 179.97 181.17 1ies h LEU 19 N 0.26 1.08 -1.26 3.80 5.85 -0.26 -0.79 115.31 123.99 1ies h LEU 19 Ca -0.11 -0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.50 1ies h LEU 19 Cb 1.70 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 42.39 1ies h LEU 19 CO 0.19 0.98 0.55 0.58 -0.34 0.00 0.00 178.44 180.40 1ies h VAL 20 N 1.11 0.98 -0.25 1.05 2.07 -1.13 -0.49 116.25 119.60 1ies h VAL 20 Ca 0.25 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 1ies h VAL 20 Cb 0.27 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1ies h VAL 20 CO -0.01 0.15 -0.24 -1.13 0.02 0.00 0.00 177.57 176.36 1ies h ASN 21 N 0.84 0.64 -0.38 0.57 -0.73 -1.23 -1.41 115.58 113.89 1ies h ASN 21 Ca 0.38 -0.47 0.01 0.00 1.87 0.00 0.00 56.30 58.09 1ies h ASN 21 Cb 0.37 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.75 1ies h ASN 21 CO -0.15 0.98 0.23 -0.07 -0.37 0.00 0.00 177.43 178.05 1ies h LEU 22 N 0.31 0.39 -0.12 0.34 4.07 -0.64 0.15 115.31 119.81 1ies h LEU 22 Ca 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1ies h LEU 22 Cb 0.80 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 1ies h LEU 22 CO 0.06 0.28 0.08 1.88 -1.08 0.00 0.00 178.44 179.66 1ies h TYR 23 N 0.47 0.15 -0.84 1.13 -1.99 -1.07 0.14 116.97 114.96 1ies h TYR 23 Ca 0.14 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.91 1ies h TYR 23 Cb -0.02 -0.05 -0.05 0.00 2.00 0.00 0.00 36.73 38.61 1ies h TYR 23 CO -0.06 0.10 0.54 -0.07 -0.00 0.00 0.00 178.16 178.66 1ies h LEU 24 N 0.16 0.89 -0.61 3.88 4.07 -1.03 0.12 115.31 122.79 1ies h LEU 24 Ca 0.04 -0.01 -0.15 0.00 0.08 0.00 0.00 57.88 57.85 1ies h LEU 24 Cb -0.01 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 1ies h LEU 24 CO -0.01 0.61 -0.53 -0.09 -1.08 0.00 0.00 178.44 177.34 1ies h ARG 25 N 1.04 0.44 -0.61 1.13 1.12 -0.42 -1.32 114.38 115.77 1ies h ARG 25 Ca 0.33 -0.27 -0.05 0.00 -1.11 0.00 0.00 59.98 58.88 1ies h ARG 25 Cb 0.01 0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 29.97 1ies h ARG 25 CO -0.12 0.87 0.18 0.00 -3.11 0.00 0.00 179.97 177.79 1ies h ALA 26 N 1.08 0.80 -0.23 2.80 0.00 0.11 -0.42 119.26 123.40 1ies h ALA 26 Ca 0.01 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ies h ALA 26 Cb 1.05 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1ies h ALA 26 CO 0.09 0.48 -0.14 1.03 0.00 0.00 0.00 179.25 180.72 1ies h SER 27 N 0.87 -0.45 -0.80 0.00 0.87 -0.63 -0.55 113.55 112.86 1ies h SER 27 Ca 0.19 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.89 1ies h SER 27 Cb 0.31 0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.46 1ies h SER 27 CO -0.00 -0.17 0.51 0.22 -0.53 0.00 0.00 176.83 176.85 1ies h TYR 28 N -0.12 0.96 -0.33 2.24 3.20 -0.82 -0.71 116.97 121.39 1ies h TYR 28 Ca 0.13 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1ies h TYR 28 Cb 0.31 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1ies h TYR 28 CO -0.30 0.55 0.16 1.15 -1.64 0.00 0.00 178.16 178.08 1ies h THR 29 N 0.99 1.16 -0.55 1.81 2.02 -0.50 -1.84 112.91 116.00 1ies h THR 29 Ca 0.32 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1ies h THR 29 Cb 0.02 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1ies h THR 29 CO -0.12 0.16 0.25 1.88 0.37 0.00 0.00 175.52 178.07 1ies h TYR 30 N 0.40 0.77 -0.52 3.16 0.05 -0.59 0.12 116.97 120.37 1ies h TYR 30 Ca 0.11 -0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.90 1ies h TYR 30 Cb 0.11 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 1ies h TYR 30 CO -0.02 0.58 0.29 1.25 -1.05 0.00 0.00 178.16 179.21 1ies h LEU 31 N 0.78 0.44 -0.12 3.88 5.85 -0.87 0.18 115.31 125.45 1ies h LEU 31 Ca 0.19 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1ies h LEU 31 Cb 0.10 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1ies h LEU 31 CO -0.02 0.31 0.03 -1.28 -0.34 0.00 0.00 178.44 177.13 1ies h SER 32 N 0.57 0.19 -0.40 1.25 0.87 -0.67 -2.34 113.55 113.02 1ies h SER 32 Ca 0.22 -0.24 0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1ies h SER 32 Cb 0.08 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 1ies h SER 32 CO -0.12 0.38 0.15 -0.07 -0.53 0.00 0.00 176.83 176.63 1ies h LEU 33 N -0.01 0.16 0.16 2.23 3.38 -0.40 -2.68 115.31 118.16 1ies h LEU 33 Ca 0.04 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1ies h LEU 33 Cb 0.27 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1ies h LEU 33 CO 0.00 0.13 -0.31 1.23 0.09 0.00 0.00 178.44 179.58 1ies h GLY 34 N 0.31 -0.62 2.00 0.83 0.00 -0.61 -1.97 103.07 103.02 1ies h GLY 34 Ca 0.18 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1ies h GLY 34 CO -0.19 -0.25 0.00 0.69 0.00 0.00 0.00 176.54 176.80 1ies n PHE 35 N -5.41 0.25 -0.03 5.60 3.72 -0.89 -2.40 117.46 118.30 1ies n PHE 35 Ca -0.07 0.10 -0.13 0.00 -0.05 0.00 0.00 57.45 57.29 1ies n PHE 35 Cb 0.32 -0.65 -0.09 0.00 -0.94 0.00 0.00 39.48 38.11 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 0.16 0.00 1.38 3.20 -1.00 -2.99 116.97 117.73 1ies h TYR 36 Ca 0.00 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1ies h TYR 36 Cb 0.29 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1ies h TYR 36 CO 0.00 0.66 0.00 1.19 -1.64 0.00 0.00 178.16 178.37 1ies n PHE 37 N -4.70 0.00 1.07 -3.82 3.72 -1.01 -1.50 117.46 111.21 1ies n PHE 37 Ca -0.08 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.44 1ies n PHE 37 Cb 0.33 -0.14 0.17 0.00 -0.94 0.00 0.00 39.48 38.89 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 -1.14 0.98 -4.77 4.37 2.03 -1.13 -1.29 116.55 115.59 1ies n ASP 38 Ca 0.10 -0.78 -0.40 0.00 0.52 0.00 0.00 54.79 54.24 1ies n ASP 38 Cb 0.10 0.42 -0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 -2.79 3.93 0.60 -0.67 0.52 -0.56 -4.70 118.95 115.27 1ies s ARG 39 Ca 0.15 2.22 0.30 0.00 -0.52 0.00 0.00 55.73 57.88 1ies s ARG 39 Cb 0.18 -2.75 1.75 0.00 0.52 0.00 0.00 34.95 34.64 1ies s ARG 39 CO 0.67 -0.55 2.16 0.38 0.02 0.00 0.00 175.30 177.98 1ies h ASP 40 N 2.64 0.00 -0.55 0.23 2.03 -1.92 0.18 116.42 119.02 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 -3.76 3.64 0.00 4.15 5.75 -1.26 -4.16 116.55 120.91 1ies n ASP 41 Ca -0.00 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 1ies n ASP 41 Cb 0.24 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 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 1.02 0.00 -4.02 2.12 0.31 0.36 -5.08 118.33 113.04 1ies n VAL 42 Ca 0.20 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.20 1ies n VAL 42 Cb 0.65 -1.15 -0.02 0.00 -0.91 0.00 0.00 33.84 32.41 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 -2.81 -2.27 -3.93 3.52 0.00 0.34 -4.96 120.51 110.39 1ies n ALA 43 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 1ies n ALA 43 Cb 0.35 -2.13 -0.14 0.00 0.00 0.00 0.00 19.45 17.53 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 -7.09 4.44 0.19 0.00 1.02 -0.42 -4.97 118.68 111.87 1ies s LEU 44 Ca 0.22 -2.93 -0.10 0.00 0.02 0.00 0.00 54.13 51.34 1ies s LEU 44 Cb -0.10 -1.66 0.12 0.00 0.02 0.00 0.00 46.19 44.57 1ies s LEU 44 CO 0.93 -0.26 1.78 -0.08 0.02 0.00 0.00 176.35 178.75 1ies h GLU 45 N 6.64 1.01 0.00 1.70 4.81 -1.93 -0.92 114.58 125.89 1ies h GLU 45 Ca -0.07 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 58.90 1ies h GLU 45 Cb 0.91 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1ies h GLU 45 CO 0.68 0.80 -0.53 0.78 -0.73 0.00 0.00 179.01 180.01 1ies h GLY 46 N 0.98 0.00 1.06 1.92 0.00 -1.90 -0.76 103.07 104.37 1ies h GLY 46 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.35 1ies h GLY 46 CO -0.03 0.00 -0.82 -2.08 0.00 0.00 0.00 176.54 173.61 1ies h VAL 47 N 0.00 1.32 -0.30 4.60 2.07 -1.67 -0.91 116.25 121.37 1ies h VAL 47 Ca -0.01 -2.10 0.05 0.00 0.82 0.00 0.00 66.70 65.46 1ies h VAL 47 Cb 0.98 2.34 -0.05 0.00 -1.52 0.00 0.00 31.29 33.04 1ies h VAL 47 CO 0.07 0.64 0.00 0.00 0.02 0.00 0.00 177.57 178.30 1ies h HIS 49 N 0.09 -0.13 0.14 0.00 2.76 -0.98 -0.37 115.15 116.66 1ies h HIS 49 Ca 0.14 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.37 1ies h HIS 49 Cb 0.19 0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.23 1ies h HIS 49 CO -0.22 -0.14 -0.39 0.35 -1.30 0.00 0.00 177.93 176.23 1ies h PHE 50 N 0.05 -1.10 -0.22 5.26 3.57 -0.61 -0.86 116.94 123.03 1ies h PHE 50 Ca 0.21 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.60 1ies h PHE 50 Cb 0.31 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1ies h PHE 50 CO -0.33 -0.50 -0.41 0.74 -2.23 0.00 0.00 178.31 175.59 1ies h PHE 51 N -0.64 0.62 -0.50 0.41 0.04 -1.03 -1.98 116.94 113.86 1ies h PHE 51 Ca 0.02 -0.18 -0.07 0.00 2.80 0.00 0.00 57.97 60.54 1ies h PHE 51 Cb 0.66 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 1ies h PHE 51 CO -0.34 0.85 0.03 0.00 -0.60 0.00 0.00 178.31 178.25 1ies h ARG 52 N 0.43 0.82 -0.45 1.51 2.47 -0.87 -0.79 114.38 117.50 1ies h ARG 52 Ca 0.04 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1ies h ARG 52 Cb 0.90 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 29.09 1ies h ARG 52 CO 0.08 0.80 0.28 0.93 0.56 0.00 0.00 179.97 182.62 1ies h GLU 53 N 0.77 0.61 -0.89 0.04 5.08 -0.42 -2.67 114.58 117.10 1ies h GLU 53 Ca 0.15 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1ies h GLU 53 Cb 0.42 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1ies h GLU 53 CO 0.02 0.43 0.54 -0.07 -1.00 0.00 0.00 179.01 178.93 1ies h LEU 54 N 0.61 1.06 -0.49 1.33 3.38 -0.98 -0.02 115.31 120.19 1ies h LEU 54 Ca 0.16 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.17 1ies h LEU 54 Cb -0.03 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.38 1ies h LEU 54 CO -0.03 0.80 0.06 0.00 0.09 0.00 0.00 178.44 179.36 1ies h ALA 55 N 1.38 0.52 -0.48 1.53 0.00 -0.83 0.01 119.26 121.39 1ies h ALA 55 Ca 0.32 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.23 1ies h ALA 55 Cb -0.06 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ies h ALA 55 CO -0.06 -0.34 -0.18 0.93 0.00 0.00 0.00 179.25 179.60 1ies h GLU 56 N 0.19 0.95 -0.47 0.00 3.07 -1.13 -1.19 114.58 116.00 1ies h GLU 56 Ca 0.25 -0.38 0.01 0.00 -0.50 0.00 0.00 59.36 58.74 1ies h GLU 56 Cb 0.35 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 1ies h GLU 56 CO -0.36 1.04 0.30 0.93 -1.40 0.00 0.00 179.01 179.53 1ies h GLU 57 N 0.83 0.59 -0.23 2.33 5.08 -0.21 -1.38 114.58 121.58 1ies h GLU 57 Ca 0.12 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 1ies h GLU 57 Cb 0.74 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1ies h GLU 57 CO 0.06 0.39 -0.39 0.87 -1.00 0.00 0.00 179.01 178.93 1ies h LYS 58 N 0.61 0.52 -0.77 2.33 1.79 -0.70 -0.27 116.57 120.07 1ies h LYS 58 Ca 0.18 -0.26 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 1ies h LYS 58 Cb -0.04 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 1ies h LYS 58 CO -0.06 0.83 0.35 -0.09 -1.08 0.00 0.00 179.45 179.41 1ies h ARG 59 N 0.43 1.12 -0.38 3.15 2.43 -1.06 -1.65 114.38 118.43 1ies h ARG 59 Ca 0.04 -0.18 -0.11 0.00 -0.81 0.00 0.00 59.98 58.93 1ies h ARG 59 Cb 0.88 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1ies h ARG 59 CO 0.07 0.88 -0.19 0.93 -1.51 0.00 0.00 179.97 180.16 1ies h GLU 60 N 1.09 0.73 -0.14 0.20 5.08 -0.96 -2.12 114.58 118.46 1ies h GLU 60 Ca 0.26 -0.28 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1ies h GLU 60 Cb 0.15 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1ies h GLU 60 CO -0.03 0.87 -0.17 0.78 -1.00 0.00 0.00 179.01 179.46 1ies h GLY 61 N 0.98 -0.11 0.63 -3.84 0.00 -0.39 -1.29 103.07 99.04 1ies h GLY 61 Ca 0.10 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.69 1ies h GLY 61 CO 0.05 -0.17 0.16 0.00 0.00 0.00 0.00 176.54 176.59 1ies h ALA 62 N 0.84 0.53 -0.66 3.60 0.00 -1.27 -1.52 119.26 120.78 1ies h ALA 62 Ca 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ies h ALA 62 Cb 0.36 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1ies h ALA 62 CO -0.27 -0.22 0.37 0.93 0.00 0.00 0.00 179.25 180.06 1ies h GLU 63 N 0.34 0.89 -0.54 0.00 5.08 -1.02 -0.93 114.58 118.41 1ies h GLU 63 Ca 0.20 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1ies h GLU 63 Cb 0.18 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1ies h GLU 63 CO -0.20 0.65 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.32 1ies h ARG 64 N 0.91 0.99 -0.63 2.33 2.43 -0.50 -0.79 114.38 119.11 1ies h ARG 64 Ca 0.23 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1ies h ARG 64 Cb 0.00 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1ies h ARG 64 CO -0.04 1.02 0.29 -0.07 -1.51 0.00 0.00 179.97 179.65 1ies h LEU 65 N 0.87 0.85 -0.41 3.80 3.38 -0.97 -1.91 115.31 120.92 1ies h LEU 65 Ca 0.15 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1ies h LEU 65 Cb 0.61 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1ies h LEU 65 CO 0.04 0.76 0.18 -0.07 0.09 0.00 0.00 178.44 179.44 1ies h LEU 66 N 0.88 0.24 -1.10 1.67 4.07 -0.91 0.20 115.31 120.36 1ies h LEU 66 Ca 0.22 0.03 -0.07 0.00 0.08 0.00 0.00 57.88 58.14 1ies h LEU 66 Cb 0.15 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1ies h LEU 66 CO -0.02 0.18 -0.12 0.50 -1.08 0.00 0.00 178.44 177.89 1ies h LYS 67 N 0.37 0.49 -0.40 1.13 3.64 -1.03 -2.56 116.57 118.21 1ies h LYS 67 Ca 0.18 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1ies h LYS 67 Cb 0.12 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1ies h LYS 67 CO -0.15 0.61 0.04 1.98 -2.27 0.00 0.00 179.45 179.66 1ies h MET 68 N 0.45 0.67 -0.38 1.90 4.05 -0.47 -0.89 114.93 120.26 1ies h MET 68 Ca 0.08 -0.19 0.08 0.00 -0.28 0.00 0.00 59.70 59.39 1ies h MET 68 Cb 0.49 -0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 31.13 1ies h MET 68 CO 0.03 0.74 -0.15 0.37 0.23 0.00 0.00 176.91 178.13 1ies h GLN 69 N 0.51 -0.07 -0.11 0.39 5.75 -0.80 0.15 115.11 120.94 1ies h GLN 69 Ca 0.12 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.57 1ies h GLN 69 Cb 0.40 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1ies h GLN 69 CO 0.01 -0.05 -0.17 -0.91 -2.65 0.00 0.00 178.83 175.07 1ies h ASN 70 N -0.07 0.17 0.50 -0.69 2.35 -1.25 -0.07 115.58 116.51 1ies h ASN 70 Ca 0.19 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.75 1ies h ASN 70 Cb 0.36 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1ies h ASN 70 CO -0.43 0.36 -0.68 1.56 -1.65 0.00 0.00 177.43 176.58 1ies h GLN 71 N 0.17 0.16 0.00 0.81 4.20 0.67 -3.26 115.11 117.86 1ies h GLN 71 Ca 0.03 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1ies h GLN 71 Cb 0.41 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1ies h GLN 71 CO 0.03 0.78 -0.19 0.54 -0.67 0.00 0.00 178.83 179.32 1ies n ARG 72 N -3.79 0.20 0.00 1.46 5.12 -0.09 -4.92 116.66 114.64 1ies n ARG 72 Ca -0.02 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 1ies n ARG 72 Cb 0.67 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 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 1.37 1.09 3.96 -0.13 0.00 -1.09 -4.04 105.19 106.36 1ies n GLY 73 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 1.76 -0.08 -0.02 0.00 -0.06 -4.61 107.32 102.31 1ies s GLY 74 Ca 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 44.72 43.42 1ies s GLY 74 CO 0.00 -0.86 -0.14 0.50 0.00 0.00 0.00 173.10 172.60 1ies s ARG 75 N -5.15 1.99 0.13 2.90 3.00 -1.26 -4.21 118.95 116.35 1ies s ARG 75 Ca 0.63 -0.50 -0.30 0.00 0.00 0.00 0.00 55.73 55.56 1ies s ARG 75 Cb -0.08 -1.65 -0.06 0.00 0.00 0.00 0.00 34.95 33.16 1ies s ARG 75 CO 0.44 0.01 1.04 0.00 0.00 0.00 0.00 175.30 176.78 1ies s ALA 76 N 0.76 3.31 -0.01 2.13 0.00 -1.26 -4.96 121.76 121.73 1ies s ALA 76 Ca -0.12 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.57 1ies s ALA 76 Cb -0.16 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1ies s ALA 76 CO 0.02 -0.14 -0.10 -0.51 0.00 0.00 0.00 175.76 175.03 1ies s LEU 77 N -0.06 1.97 -0.06 0.00 1.43 -1.26 -5.14 118.68 115.57 1ies s LEU 77 Ca 0.49 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.45 1ies s LEU 77 Cb -0.26 -0.55 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 1ies s LEU 77 CO 0.32 0.12 -0.22 -0.36 0.23 0.00 0.00 176.35 176.43 1ies s PHE 78 N -0.16 2.50 0.48 0.29 0.08 -1.26 -4.83 117.98 115.09 1ies s PHE 78 Ca 0.03 -0.57 0.03 0.00 0.12 0.00 0.00 56.93 56.53 1ies s PHE 78 Cb -0.05 -1.61 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 1ies s PHE 78 CO -0.00 -0.12 0.04 -0.65 -0.10 0.00 0.00 175.22 174.39 1ies s GLN 79 N -0.28 2.14 0.70 0.44 -0.21 -1.26 -5.12 119.66 116.07 1ies s GLN 79 Ca 0.00 -2.28 -0.16 0.00 0.02 0.00 0.00 55.36 52.95 1ies s GLN 79 Cb -0.13 -1.61 0.02 0.00 1.00 0.00 0.00 33.01 32.29 1ies s GLN 79 CO 0.03 -0.29 1.19 -0.51 -2.12 0.00 0.00 175.29 173.59 1ies s ASP 80 N -3.86 4.50 -0.29 5.90 1.01 -1.26 -4.99 116.67 117.68 1ies s ASP 80 Ca 0.16 2.30 -0.06 0.00 0.71 0.00 0.00 52.55 55.67 1ies s ASP 80 Cb 0.04 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.40 1ies s ASP 80 CO 0.09 -2.05 0.05 -0.76 0.21 0.00 0.00 175.17 172.71 1ies s LEU 81 N -4.93 3.76 0.23 1.23 1.02 -1.26 -5.07 118.68 113.65 1ies s LEU 81 Ca 0.74 -0.78 -0.30 0.00 0.02 0.00 0.00 54.13 53.81 1ies s LEU 81 Cb -0.28 -1.84 -0.09 0.00 0.02 0.00 0.00 46.19 44.00 1ies s LEU 81 CO 0.43 -0.19 1.28 -1.10 0.02 0.00 0.00 176.35 176.78 1ies s GLN 82 N 1.45 4.42 0.90 1.70 -0.21 -1.26 -4.99 119.66 121.67 1ies s GLN 82 Ca 0.02 2.04 -0.10 0.00 0.02 0.00 0.00 55.36 57.33 1ies s GLN 82 Cb -0.17 -3.18 0.14 0.00 1.00 0.00 0.00 33.01 30.80 1ies s GLN 82 CO 0.01 -0.18 1.15 -1.59 -2.12 0.00 0.00 175.29 172.56 1ies s LYS 83 N -0.55 1.11 0.69 2.91 -2.85 -1.26 -4.93 119.74 114.86 1ies s LYS 83 Ca 0.54 1.56 -0.17 0.00 -1.00 0.00 0.00 55.97 56.90 1ies s LYS 83 Cb -0.36 -1.74 0.01 0.00 -2.06 0.00 0.00 37.83 33.68 1ies s LYS 83 CO 0.41 -2.57 1.25 -2.30 0.10 0.00 0.00 175.35 172.24 1ies n PRO 84 N -4.13 0.87 -0.31 1.78 -0.02 -1.26 -4.92 135.00 127.01 1ies n PRO 84 Ca 0.12 0.36 0.04 0.00 -2.02 0.00 0.00 63.50 62.00 1ies n PRO 84 Cb 0.52 -2.49 0.18 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.17 0.75 -2.52 2.55 4.64 -1.98 -3.43 113.55 113.73 1ies h SER 85 Ca -0.50 0.05 -0.55 0.00 -0.47 0.00 0.00 61.79 60.32 1ies h SER 85 Cb 1.33 -0.10 -0.14 0.00 -0.31 0.00 0.00 62.40 63.18 1ies h SER 85 CO 0.51 0.43 -0.71 -1.10 -0.87 0.00 0.00 176.83 175.08 1ies s GLN 86 N -6.02 1.61 -0.09 4.77 -0.21 -1.26 -5.03 119.66 113.43 1ies s GLN 86 Ca -0.12 -1.78 0.15 0.00 0.02 0.00 0.00 55.36 53.63 1ies s GLN 86 Cb 0.20 -1.47 -0.22 0.00 1.00 0.00 0.00 33.01 32.51 1ies s GLN 86 CO 0.79 0.18 0.20 -0.25 -2.12 0.00 0.00 175.29 174.09 1ies n ASP 87 N -0.61 1.16 -4.17 5.90 8.00 -1.26 -4.92 116.55 120.65 1ies n ASP 87 Ca -0.06 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.16 1ies n ASP 87 Cb 0.62 1.29 -0.16 0.00 -0.02 0.00 0.00 41.12 42.85 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 -2.74 2.27 0.00 -1.24 2.02 -1.26 -5.01 118.70 112.74 1ies s GLU 88 Ca -0.07 -0.72 0.15 0.00 0.02 0.00 0.00 54.97 54.35 1ies s GLU 88 Cb 0.07 -1.86 0.09 0.00 0.10 0.00 0.00 34.13 32.54 1ies s GLU 88 CO 0.67 0.23 0.94 0.91 0.02 0.00 0.00 175.26 178.02 1ies n TRP 89 N 3.30 0.00 -0.21 1.61 7.02 -1.26 -5.08 117.44 122.82 1ies n TRP 89 Ca -0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 1ies n TRP 89 Cb 0.53 0.00 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 0.90 0.64 3.87 6.99 0.00 -1.26 -3.73 105.19 112.60 1ies n GLY 90 Ca 0.08 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 2.17 0.37 2.61 -4.23 -1.26 -4.92 115.64 110.37 1ies s THR 91 Ca 0.00 -1.46 0.09 0.00 -1.18 0.00 0.00 61.69 59.14 1ies s THR 91 Cb 0.00 -2.63 0.32 0.00 1.34 0.00 0.00 72.50 71.54 1ies s THR 91 CO 0.00 0.00 1.89 0.74 -0.54 0.00 0.00 174.62 176.71 1ies h THR 92 N 0.97 0.86 -0.17 3.99 2.02 -1.98 0.34 112.91 118.93 1ies h THR 92 Ca -0.39 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 1ies h THR 92 Cb 1.28 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1ies h THR 92 CO 0.59 0.12 -0.09 0.25 0.37 0.00 0.00 175.52 176.76 1ies h LEU 93 N 0.67 0.38 -0.25 2.58 5.85 -1.95 0.26 115.31 122.85 1ies h LEU 93 Ca 0.42 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1ies h LEU 93 Cb 0.66 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1ies h LEU 93 CO -0.18 0.71 0.10 0.44 -0.34 0.00 0.00 178.44 179.17 1ies h ASP 94 N 0.04 0.34 -0.50 1.25 3.32 -1.72 -1.64 116.42 117.53 1ies h ASP 94 Ca 0.04 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.94 1ies h ASP 94 Cb 0.57 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1ies h ASP 94 CO 0.03 0.42 0.29 0.00 -1.72 0.00 0.00 179.24 178.26 1ies h ALA 95 N 0.94 0.63 -0.65 3.45 0.00 -0.69 -1.01 119.26 121.94 1ies h ALA 95 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ies h ALA 95 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1ies h ALA 95 CO -0.01 -0.01 0.30 0.52 0.00 0.00 0.00 179.25 180.06 1ies h MET 96 N 0.59 0.94 -0.70 0.00 2.86 -0.30 0.08 114.93 118.39 1ies h MET 96 Ca 0.20 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1ies h MET 96 Cb 0.02 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.47 1ies h MET 96 CO -0.09 0.76 0.45 0.87 1.06 0.00 0.00 176.91 179.95 1ies h LYS 97 N 0.90 0.87 -0.39 1.72 1.57 -1.03 -0.59 116.57 119.61 1ies h LYS 97 Ca 0.22 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1ies h LYS 97 Cb 0.14 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1ies h LYS 97 CO -0.03 0.58 0.25 0.00 -0.57 0.00 0.00 179.45 179.68 1ies h ALA 98 N 1.28 0.50 -0.47 3.86 0.00 -0.69 -2.39 119.26 121.34 1ies h ALA 98 Ca 0.27 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1ies h ALA 98 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1ies h ALA 98 CO -0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 179.25 179.04 1ies h ALA 99 N 1.13 0.94 -0.30 0.00 0.00 -0.59 -1.36 119.26 119.08 1ies h ALA 99 Ca 0.14 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1ies h ALA 99 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ies h ALA 99 CO -0.03 0.62 -0.31 0.97 0.00 0.00 0.00 179.25 180.50 1ies h ILE 100 N 0.77 1.28 -0.71 0.00 2.10 -0.96 0.39 117.51 120.38 1ies h ILE 100 Ca 0.13 -1.42 -0.01 0.00 1.08 0.00 0.00 64.86 64.64 1ies h ILE 100 Cb 0.60 1.38 -0.03 0.00 -1.09 0.00 0.00 36.82 37.67 1ies h ILE 100 CO 0.04 0.46 0.42 0.58 -1.08 0.00 0.00 178.15 178.57 1ies h VAL 101 N 0.55 1.20 0.15 2.19 2.07 -1.29 0.11 116.25 121.24 1ies h VAL 101 Ca 0.07 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1ies h VAL 101 Cb 0.80 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1ies h VAL 101 CO 0.07 0.21 -0.07 0.25 0.02 0.00 0.00 177.57 178.05 1ies h LEU 102 N 0.97 -0.18 -1.13 2.57 5.85 -0.56 -1.48 115.31 121.35 1ies h LEU 102 Ca 0.25 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1ies h LEU 102 Cb -0.02 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1ies h LEU 102 CO -0.05 -0.13 0.59 -0.33 -0.34 0.00 0.00 178.44 178.19 1ies h GLU 103 N -0.21 1.17 -0.77 1.25 4.39 -0.47 -1.32 114.58 118.61 1ies h GLU 103 Ca -0.02 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1ies h GLU 103 Cb 0.16 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 1ies h GLU 103 CO 0.03 0.77 0.49 0.87 -1.16 0.00 0.00 179.01 180.02 1ies h LYS 104 N 1.20 0.95 -0.46 2.33 6.56 -0.51 0.29 116.57 126.93 1ies h LYS 104 Ca 0.33 -0.06 -0.12 0.00 -1.06 0.00 0.00 60.65 59.74 1ies h LYS 104 Cb -0.14 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 31.30 1ies h LYS 104 CO -0.07 0.63 -0.19 0.66 -2.06 0.00 0.00 179.45 178.41 1ies h SER 105 N 0.98 0.94 -0.78 0.86 4.64 -0.22 0.19 113.55 120.16 1ies h SER 105 Ca 0.30 -0.34 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1ies h SER 105 Cb -0.03 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 61.77 1ies h SER 105 CO -0.10 1.10 0.51 0.25 -0.87 0.00 0.00 176.83 177.73 1ies h LEU 106 N 0.80 0.89 -0.35 5.97 5.85 -0.70 -1.50 115.31 126.28 1ies h LEU 106 Ca 0.11 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1ies h LEU 106 Cb 0.75 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1ies h LEU 106 CO 0.06 0.65 -0.05 -1.13 -0.34 0.00 0.00 178.44 177.63 1ies h ASN 107 N 1.05 0.65 -0.71 1.25 -0.00 -0.05 -1.68 115.58 116.09 1ies h ASN 107 Ca 0.28 -0.34 0.08 0.00 -0.00 0.00 0.00 56.30 56.32 1ies h ASN 107 Cb -0.12 -0.18 -0.07 0.00 -0.00 0.00 0.00 38.32 37.96 1ies h ASN 107 CO -0.06 0.84 0.38 -0.61 -0.00 0.00 0.00 177.43 177.98 1ies h GLN 108 N 0.45 0.65 -0.85 6.67 5.75 -0.77 -0.74 115.11 126.26 1ies h GLN 108 Ca 0.09 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.61 1ies h GLN 108 Cb 0.54 -0.15 -0.06 0.00 1.07 0.00 0.00 27.48 28.88 1ies h GLN 108 CO 0.03 0.43 0.53 0.00 -2.65 0.00 0.00 178.83 177.17 1ies h ALA 109 N 1.40 1.16 -0.34 3.38 0.00 -0.82 0.75 119.26 124.80 1ies h ALA 109 Ca 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1ies h ALA 109 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ies h ALA 109 CO -0.23 0.29 0.12 -0.07 0.00 0.00 0.00 179.25 179.36 1ies h LEU 110 N 0.98 0.48 -0.36 0.00 3.38 -0.78 -0.67 115.31 118.34 1ies h LEU 110 Ca 0.37 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1ies h LEU 110 Cb 0.15 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1ies h LEU 110 CO -0.16 0.54 0.17 -0.07 0.09 0.00 0.00 178.44 179.00 1ies h LEU 111 N 0.40 0.24 0.26 1.67 4.07 -0.47 0.27 115.31 121.74 1ies h LEU 111 Ca 0.11 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1ies h LEU 111 Cb 0.22 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1ies h LEU 111 CO -0.01 0.18 -0.12 0.44 -1.08 0.00 0.00 178.44 177.85 1ies h ASP 112 N 0.35 -0.29 -0.98 -0.43 3.32 -0.81 -1.49 116.42 116.09 1ies h ASP 112 Ca 0.15 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.25 1ies h ASP 112 Cb 0.08 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.63 1ies h ASP 112 CO -0.12 -0.16 0.63 0.25 -1.72 0.00 0.00 179.24 178.12 1ies h LEU 113 N -0.40 0.97 -0.75 1.55 5.85 -0.52 0.70 115.31 122.71 1ies h LEU 113 Ca -0.04 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1ies h LEU 113 Cb 0.31 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1ies h LEU 113 CO 0.06 0.59 0.43 -0.74 -0.34 0.00 0.00 178.44 178.44 1ies h HIS 114 N 1.08 1.01 -0.86 1.25 2.76 -0.29 -0.16 115.15 119.95 1ies h HIS 114 Ca 0.44 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.59 1ies h HIS 114 Cb 0.27 -0.33 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 1ies h HIS 114 CO -0.00 0.70 0.49 0.00 -1.30 0.00 0.00 177.93 177.82 1ies h ALA 115 N 1.22 1.26 0.05 5.26 0.00 0.18 -0.98 119.26 126.26 1ies h ALA 115 Ca 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ies h ALA 115 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1ies h ALA 115 CO -0.05 0.62 -0.02 1.25 0.00 0.00 0.00 179.25 181.05 1ies h LEU 116 N 1.19 -0.06 -0.54 0.00 6.46 -0.76 0.63 115.31 122.24 1ies h LEU 116 Ca 0.31 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 58.17 1ies h LEU 116 Cb -0.01 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 39.84 1ies h LEU 116 CO -0.05 -0.04 0.03 1.23 -0.62 0.00 0.00 178.44 178.98 1ies h GLY 117 N -0.07 0.58 1.11 3.75 0.00 -0.31 0.27 103.07 108.40 1ies h GLY 117 Ca -0.01 0.05 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 1ies h GLY 117 CO 0.01 -0.14 -0.30 1.48 0.00 0.00 0.00 176.54 177.59 1ies h SER 118 N 0.15 0.99 -0.92 0.19 4.64 -1.01 0.49 113.55 118.08 1ies h SER 118 Ca 0.28 -0.43 0.08 0.00 -0.47 0.00 0.00 61.79 61.25 1ies h SER 118 Cb 0.42 -0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 62.16 1ies h SER 118 CO -0.43 1.21 0.57 0.00 -0.87 0.00 0.00 176.83 177.32 1ies h ALA 119 N 0.81 1.32 0.00 5.18 0.00 0.52 -0.43 119.26 126.66 1ies h ALA 119 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ies h ALA 119 Cb 0.89 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ies h ALA 119 CO 0.08 0.27 0.00 1.04 0.00 0.00 0.00 179.25 180.64 1ies n GLN 120 N -4.62 0.80 -3.67 0.00 1.13 0.82 -4.93 117.38 106.92 1ies n GLN 120 Ca 0.15 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.99 1ies n GLN 120 Cb 0.24 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.13 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 -1.09 -2.11 -3.54 -1.58 0.00 -0.17 -4.97 120.51 107.05 1ies n ALA 121 Ca 0.21 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 1ies n ALA 121 Cb 0.15 -2.44 -0.07 0.00 0.00 0.00 0.00 19.45 17.09 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 -4.20 5.90 0.30 0.00 -1.08 0.16 -4.94 116.67 112.81 1ies s ASP 122 Ca 0.08 -2.60 -0.01 0.00 -0.52 0.00 0.00 52.55 49.51 1ies s ASP 122 Cb -0.02 -2.02 0.46 0.00 -1.46 0.00 0.00 42.92 39.88 1ies s ASP 122 CO 0.81 -0.51 1.89 1.55 0.52 0.00 0.00 175.17 179.43 1ies h PRO 123 N 7.61 0.87 -0.58 4.34 0.13 -1.94 -2.97 132.00 139.47 1ies h PRO 123 Ca -0.01 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 64.91 1ies h PRO 123 Cb 1.01 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 1ies h PRO 123 CO 0.76 0.70 0.04 1.25 -0.23 0.00 0.00 178.00 180.52 1ies h HIS 124 N 0.86 1.07 -0.21 1.56 -0.00 -1.97 -0.92 115.15 115.54 1ies h HIS 124 Ca 0.21 -0.17 -0.04 0.00 -0.00 0.00 0.00 60.37 60.37 1ies h HIS 124 Cb 0.14 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 1ies h HIS 124 CO 0.01 0.95 -0.02 1.25 -0.00 0.00 0.00 177.93 180.12 1ies h LEU 125 N 0.89 0.38 -0.39 0.26 5.85 -1.94 0.13 115.31 120.48 1ies h LEU 125 Ca 0.17 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.62 1ies h LEU 125 Cb 0.50 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1ies h LEU 125 CO 0.02 0.62 0.06 0.00 -0.34 0.00 0.00 178.44 178.80 1ies h ASP 127 N 0.18 -0.67 -0.49 0.00 3.58 -0.84 -1.33 116.42 116.85 1ies h ASP 127 Ca 0.19 0.06 0.10 0.00 0.42 0.00 0.00 57.03 57.80 1ies h ASP 127 Cb 0.24 0.23 -0.08 0.00 1.72 0.00 0.00 39.33 41.44 1ies h ASP 127 CO -0.27 -0.36 -0.04 0.15 -2.88 0.00 0.00 179.24 175.85 1ies h PHE 128 N -0.51 -0.10 -0.07 0.28 3.57 -0.48 0.37 116.94 119.99 1ies h PHE 128 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ies h PHE 128 Cb 0.49 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 1ies h PHE 128 CO -0.18 -0.15 0.05 -0.07 -2.23 0.00 0.00 178.31 175.73 1ies h LEU 129 N 0.07 0.08 -0.24 0.59 4.07 -0.89 0.24 115.31 119.24 1ies h LEU 129 Ca 0.24 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.19 1ies h LEU 129 Cb 0.37 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1ies h LEU 129 CO -0.44 0.07 0.14 -0.33 -1.08 0.00 0.00 178.44 176.80 1ies h GLU 130 N 0.09 0.33 -0.40 1.13 5.08 -0.59 0.53 114.58 120.76 1ies h GLU 130 Ca 0.03 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1ies h GLU 130 Cb -0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1ies h GLU 130 CO -0.01 0.27 0.13 0.77 -1.00 0.00 0.00 179.01 179.17 1ies h SER 131 N 0.29 0.57 0.00 1.42 0.02 -0.08 -3.36 113.55 112.41 1ies h SER 131 Ca 0.09 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1ies h SER 131 Cb 0.03 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1ies h SER 131 CO -0.02 0.62 -1.24 1.41 -1.14 0.00 0.00 176.83 176.47 1ies n HIS 132 N -4.61 0.00 0.00 3.45 8.25 0.06 -4.86 115.22 117.51 1ies n HIS 132 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ies n HIS 132 Cb 0.18 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.72 0.00 -0.22 4.41 3.72 0.04 -4.69 117.46 119.00 1ies n PHE 133 Ca -0.01 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.33 1ies n PHE 133 Cb 0.29 0.03 0.04 0.00 -0.94 0.00 0.00 39.48 38.89 1ies n PHE 133 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1ies h LEU 134 N 0.00 0.73 -0.10 4.37 4.07 -1.33 -2.07 115.31 120.98 1ies h LEU 134 Ca 0.00 -0.05 -0.12 0.00 0.08 0.00 0.00 57.88 57.79 1ies h LEU 134 Cb 0.87 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1ies h LEU 134 CO 0.00 0.56 -0.41 -0.78 -1.08 0.00 0.00 178.44 176.73 1ies h ASP 135 N 0.83 0.53 -0.86 -0.43 3.58 -1.84 -2.55 116.42 115.69 1ies h ASP 135 Ca 0.22 -0.63 0.12 0.00 0.42 0.00 0.00 57.03 57.16 1ies h ASP 135 Cb -0.04 -0.16 -0.08 0.00 1.72 0.00 0.00 39.33 40.77 1ies h ASP 135 CO -0.04 1.08 0.48 -0.08 -2.88 0.00 0.00 179.24 177.79 1ies h GLU 136 N 0.02 0.72 -0.51 0.28 4.81 -1.82 0.20 114.58 118.29 1ies h GLU 136 Ca -0.02 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1ies h GLU 136 Cb 1.05 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1ies h GLU 136 CO 0.09 0.48 0.18 1.49 -0.73 0.00 0.00 179.01 180.51 1ies h GLU 137 N 0.74 0.77 -0.34 1.92 4.57 -1.37 0.11 114.58 120.98 1ies h GLU 137 Ca 0.44 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.42 1ies h GLU 137 Cb 0.52 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1ies h GLU 137 CO -0.30 0.70 0.03 0.28 -1.18 0.00 0.00 179.01 178.54 1ies h VAL 138 N 0.68 1.25 -0.23 0.32 2.07 -0.60 -1.25 116.25 118.49 1ies h VAL 138 Ca 0.17 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1ies h VAL 138 Cb 0.24 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1ies h VAL 138 CO -0.01 0.30 0.12 0.11 0.02 0.00 0.00 177.57 178.11 1ies h LYS 139 N 0.40 0.33 -0.42 1.57 1.57 -0.95 -1.99 116.57 117.08 1ies h LYS 139 Ca 0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1ies h LYS 139 Cb 0.40 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1ies h LYS 139 CO 0.01 0.32 0.17 1.25 -0.57 0.00 0.00 179.45 180.63 1ies h LEU 140 N 0.25 0.58 -1.49 2.94 5.85 -0.66 -0.80 115.31 121.99 1ies h LEU 140 Ca 0.08 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1ies h LEU 140 Cb 0.09 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1ies h LEU 140 CO -0.01 0.59 0.19 0.40 -0.34 0.00 0.00 178.44 179.27 1ies h ILE 141 N 0.54 1.13 -0.33 4.05 2.04 -1.23 -0.58 117.51 123.13 1ies h ILE 141 Ca 0.14 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 1ies h ILE 141 Cb 0.19 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1ies h ILE 141 CO -0.01 0.15 -0.15 0.50 0.00 0.00 0.00 178.15 178.64 1ies h LYS 142 N 0.54 0.68 -0.61 2.37 3.64 -0.56 0.35 116.57 122.98 1ies h LYS 142 Ca 0.14 -0.29 0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1ies h LYS 142 Cb 0.05 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 1ies h LYS 142 CO -0.02 0.89 0.29 -0.22 -2.27 0.00 0.00 179.45 178.12 1ies h LYS 143 N 0.45 0.52 -0.28 1.90 3.64 -0.56 0.16 116.57 122.40 1ies h LYS 143 Ca 0.07 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 1ies h LYS 143 Cb 0.68 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1ies h LYS 143 CO 0.05 0.34 -0.26 0.52 -2.27 0.00 0.00 179.45 177.83 1ies h MET 144 N 0.54 0.56 -0.61 1.90 2.86 -0.94 -0.17 114.93 119.06 1ies h MET 144 Ca 0.28 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1ies h MET 144 Cb 0.25 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1ies h MET 144 CO -0.22 0.77 0.37 0.78 1.06 0.00 0.00 176.91 179.67 1ies h GLY 145 N 1.02 0.89 0.99 8.32 0.00 0.59 0.32 103.07 115.20 1ies h GLY 145 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1ies h GLY 145 CO 0.05 0.36 0.12 -0.55 0.00 0.00 0.00 176.54 176.52 1ies h ASP 146 N 0.83 0.21 -0.14 0.19 3.32 -0.45 -2.54 116.42 117.84 1ies h ASP 146 Ca 0.22 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.28 1ies h ASP 146 Cb -0.02 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1ies h ASP 146 CO -0.04 0.16 -0.03 0.45 -1.72 0.00 0.00 179.24 178.06 1ies h HIS 147 N 0.24 -0.07 -0.68 4.55 3.86 -0.69 -1.56 115.15 120.79 1ies h HIS 147 Ca 0.07 0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.40 1ies h HIS 147 Cb -0.02 0.05 -0.08 0.00 1.06 0.00 0.00 27.41 28.43 1ies h HIS 147 CO -0.06 -0.06 0.27 -0.07 0.86 0.00 0.00 177.93 178.87 1ies h LEU 148 N 0.00 0.27 -0.49 2.43 3.38 -0.80 0.10 115.31 120.20 1ies h LEU 148 Ca 0.07 0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 1ies h LEU 148 Cb 0.10 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1ies h LEU 148 CO -0.14 0.14 -0.70 0.71 0.09 0.00 0.00 178.44 178.54 1ies h THR 149 N 0.45 1.40 -0.52 0.22 1.35 -1.12 0.11 112.91 114.80 1ies h THR 149 Ca 0.35 -2.15 -0.11 0.00 -0.55 0.00 0.00 66.41 63.95 1ies h THR 149 Cb 0.47 2.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.99 1ies h THR 149 CO -0.34 0.64 -0.11 0.78 -0.25 0.00 0.00 175.52 176.24 1ies h ASN 150 N 0.21 0.98 -0.33 5.36 -0.26 -0.81 -1.44 115.58 119.28 1ies h ASN 150 Ca -0.02 -0.32 -0.05 0.00 -0.56 0.00 0.00 56.30 55.35 1ies h ASN 150 Cb 1.25 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 38.23 1ies h ASN 150 CO 0.11 1.09 0.00 0.40 -1.06 0.00 0.00 177.43 177.98 1ies h ILE 151 N 0.87 1.26 -0.64 2.81 2.04 -0.50 -2.78 117.51 120.57 1ies h ILE 151 Ca 0.14 -0.96 0.08 0.00 1.00 0.00 0.00 64.86 65.12 1ies h ILE 151 Cb 0.66 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1ies h ILE 151 CO 0.05 0.31 0.42 1.56 0.00 0.00 0.00 178.15 180.49 1ies h GLN 152 N 0.40 0.53 0.00 2.37 4.20 -0.56 0.49 115.11 122.54 1ies h GLN 152 Ca 0.10 -0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.58 1ies h GLN 152 Cb 0.44 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1ies h GLN 152 CO 0.02 0.35 -0.88 0.07 -0.67 0.00 0.00 178.83 177.72 1ies h ARG 153 N 0.54 0.18 0.11 1.46 0.11 -1.09 -2.31 114.38 113.38 1ies h ARG 153 Ca 0.29 -0.20 -0.01 0.00 0.10 0.00 0.00 59.98 60.16 1ies h ARG 153 Cb 0.41 0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.55 1ies h ARG 153 CO -0.09 0.95 -0.05 -0.07 0.10 0.00 0.00 179.97 180.81 1ies h LEU 154 N 0.10 -0.12 -1.34 0.08 3.38 -1.13 -2.79 115.31 113.49 1ies h LEU 154 Ca -0.04 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 1ies h LEU 154 Cb 1.51 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1ies h LEU 154 CO 0.13 0.36 -0.33 0.58 0.09 0.00 0.00 178.44 179.27 1ies h VAL 155 N -0.65 1.22 -0.39 1.22 2.07 -1.04 -0.42 116.25 118.27 1ies h VAL 155 Ca -0.01 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1ies h VAL 155 Cb 0.51 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1ies h VAL 155 CO 0.02 0.32 0.25 1.23 0.02 0.00 0.00 177.57 179.42 1ies h GLY 156 N 1.02 0.55 0.00 2.17 0.00 -1.42 -3.03 103.07 102.36 1ies h GLY 156 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1ies h GLY 156 CO 0.04 0.21 0.00 1.44 0.00 0.00 0.00 176.54 178.23 1ies n SER 157 N -4.81 0.00 -3.59 0.19 7.64 -0.88 -4.79 113.62 107.39 1ies n SER 157 Ca 0.00 0.70 -0.29 0.00 1.01 0.00 0.00 58.87 60.29 1ies n SER 157 Cb 0.03 -0.40 -0.13 0.00 -1.01 0.00 0.00 64.21 62.70 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 -1.90 0.72 0.07 1.43 -1.52 -0.22 -5.06 119.66 113.18 1ies s GLN 158 Ca 0.00 -1.33 -0.13 0.00 -1.95 0.00 0.00 55.36 51.95 1ies s GLN 158 Cb 0.00 -1.68 -0.03 0.00 -0.22 0.00 0.00 33.01 31.08 1ies s GLN 158 CO 0.00 -1.13 0.91 0.00 -0.25 0.00 0.00 175.29 174.83 1ies n ALA 159 N 4.25 -0.26 -0.00 6.09 0.00 -1.14 0.93 120.51 130.37 1ies n ALA 159 Ca 0.06 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.72 1ies n ALA 159 Cb 0.38 0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 1ies n ALA 159 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ies h GLY 160 N 0.00 0.07 0.90 0.00 0.00 -1.94 -1.82 103.07 100.29 1ies h GLY 160 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.36 1ies h GLY 160 CO -0.38 0.04 0.07 -2.00 0.00 0.00 0.00 176.54 174.27 1ies h LEU 161 N -0.16 0.10 -0.09 3.11 5.85 -1.93 -1.85 115.31 120.35 1ies h LEU 161 Ca 0.01 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1ies h LEU 161 Cb 0.25 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1ies h LEU 161 CO 0.00 0.09 -0.06 1.23 -0.34 0.00 0.00 178.44 179.35 1ies h GLY 162 N 0.17 0.01 0.91 3.75 0.00 0.66 0.09 103.07 108.66 1ies h GLY 162 Ca 0.07 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.50 1ies h GLY 162 CO -0.06 -0.07 0.37 0.83 0.00 0.00 0.00 176.54 177.61 1ies h GLU 163 N -0.07 0.72 -0.25 4.80 5.08 -1.28 -0.97 114.58 122.61 1ies h GLU 163 Ca 0.06 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1ies h GLU 163 Cb 0.15 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1ies h GLU 163 CO -0.13 0.47 0.12 -0.92 -1.00 0.00 0.00 179.01 177.56 1ies h TYR 164 N 0.74 0.35 -0.57 4.33 3.20 -0.89 -2.73 116.97 121.40 1ies h TYR 164 Ca 0.23 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 1ies h TYR 164 Cb -0.01 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1ies h TYR 164 CO -0.05 0.33 0.09 -0.07 -1.64 0.00 0.00 178.16 176.82 1ies h LEU 165 N 0.27 0.85 -0.07 2.82 3.38 -0.73 -0.25 115.31 121.58 1ies h LEU 165 Ca 0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ies h LEU 165 Cb 0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1ies h LEU 165 CO -0.01 0.86 0.04 0.15 0.09 0.00 0.00 178.44 179.57 1ies h PHE 166 N 0.86 0.09 -0.73 1.13 3.57 -1.12 0.64 116.94 121.37 1ies h PHE 166 Ca 0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1ies h PHE 166 Cb 0.37 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1ies h PHE 166 CO 0.02 0.10 0.46 1.49 -2.23 0.00 0.00 178.31 178.16 1ies h GLU 167 N 0.06 0.98 0.07 1.11 4.22 -1.39 0.22 114.58 119.86 1ies h GLU 167 Ca 0.03 -0.07 -0.00 0.00 0.08 0.00 0.00 59.36 59.39 1ies h GLU 167 Cb 0.03 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1ies h GLU 167 CO -0.00 0.67 -0.04 -0.09 -2.18 0.00 0.00 179.01 177.37 1ies h ARG 168 N 1.00 -0.10 0.00 1.92 9.65 -0.66 0.72 114.38 126.91 1ies h ARG 168 Ca 0.27 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.15 1ies h ARG 168 Cb -0.07 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 1ies h ARG 168 CO -0.05 0.36 -1.91 1.28 2.80 0.00 0.00 179.97 182.44 1ies n LEU 169 N -4.91 0.03 -0.11 3.80 4.77 0.22 -3.42 117.00 117.38 1ies n LEU 169 Ca -0.08 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.65 1ies n LEU 169 Cb 0.26 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1ies n LEU 169 CO 0.32 0.01 -1.19 0.41 -1.33 0.00 0.00 177.39 175.61 1ies n THR 170 N -2.19 1.40 0.04 -5.08 -1.04 0.63 -4.05 114.28 103.98 1ies n THR 170 Ca -0.04 -0.23 -0.10 0.00 -2.04 0.00 0.00 64.05 61.64 1ies n THR 170 Cb 0.53 -1.94 -0.13 0.00 -1.82 0.00 0.00 70.33 66.97 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 0.11 -1.65 -4.42 4.07 -1.09 -2.58 115.31 108.84 1ies h LEU 171 Ca -0.49 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.33 1ies h LEU 171 Cb 1.40 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.11 1ies h LEU 171 CO -0.30 1.12 0.00 1.17 -1.08 0.00 0.00 178.44 179.35 1ies n LYS 172 N -3.29 2.22 -1.14 1.13 4.81 0.25 -4.44 118.16 117.70 1ies n LYS 172 Ca -0.09 -1.34 -0.02 0.00 -0.87 0.00 0.00 58.31 55.98 1ies n LYS 172 Cb 1.00 -1.51 -0.03 0.00 0.02 0.00 0.00 35.03 34.51 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 0.43 0.00 -1.97 5.64 8.25 -1.21 -4.92 115.22 121.44 1ies n HIS 173 Ca 0.12 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 1ies n HIS 173 Cb 0.46 0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1ies n HIS 173 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51