#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jts s LEU 15 N 0.00 4.17 0.39 2.23 2.01 -0.09 -4.97 118.68 122.43 1jts s LEU 15 Ca 0.00 2.10 -0.27 0.00 0.01 0.00 0.00 54.13 55.97 1jts s LEU 15 Cb 0.00 -4.12 -0.11 0.00 0.01 0.00 0.00 46.19 41.97 1jts s LEU 15 CO 0.00 -0.50 1.34 0.00 1.01 0.00 0.00 176.35 178.20 1jts n TYR 16 N 0.03 2.43 -3.62 0.29 4.19 -1.26 -4.48 117.16 114.74 1jts n TYR 16 Ca 0.05 0.50 -0.13 0.00 3.31 0.00 0.00 57.90 61.63 1jts n TYR 16 Cb 0.49 -2.43 -0.07 0.00 0.49 0.00 0.00 39.34 37.82 1jts n TYR 16 CO 0.00 0.00 0.00 -0.08 0.91 0.00 0.00 176.86 177.69 1jts s THR 17 N -1.15 0.00 -1.37 2.97 -1.32 -1.26 -4.98 115.64 108.53 1jts s THR 17 Ca 0.57 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.18 1jts s THR 17 Cb -0.51 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 69.67 1jts s THR 17 CO 0.61 0.00 1.31 0.54 -2.21 0.00 0.00 174.62 174.87 1jts n ARG 18 N 2.37 0.15 -1.66 7.08 1.74 -1.26 -4.64 116.66 120.44 1jts n ARG 18 Ca -0.14 0.19 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 1jts n ARG 18 Cb 0.55 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1jts n ARG 18 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1jts s ASN 19 N -2.63 5.41 0.00 0.55 3.84 -1.26 -4.83 114.94 116.03 1jts s ASN 19 Ca 0.11 1.72 0.00 0.00 0.21 0.00 0.00 52.86 54.89 1jts s ASN 19 Cb 0.08 -2.51 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 1jts s ASN 19 CO 0.19 -2.02 1.42 -0.90 -2.79 0.00 0.00 177.10 173.00 1jts n ASP 20 N 11.91 3.84 -4.79 -4.21 5.75 -1.26 -4.86 116.55 122.93 1jts n ASP 20 Ca 0.29 -2.00 -0.38 0.00 -0.01 0.00 0.00 54.79 52.69 1jts n ASP 20 Cb 0.46 -0.79 -0.06 0.00 -1.03 0.00 0.00 41.12 39.70 1jts n ASP 20 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1jts s VAL 21 N 0.37 4.92 0.41 2.12 1.01 -1.26 -5.02 120.40 122.96 1jts s VAL 21 Ca 0.00 1.08 -0.24 0.00 0.00 0.00 0.00 61.98 62.82 1jts s VAL 21 Cb 0.00 -3.84 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 1jts s VAL 21 CO 0.00 0.49 0.88 -1.54 0.00 0.00 0.00 175.10 174.94 1jts n SER 22 N 2.29 0.67 -0.19 3.32 3.41 -1.26 -4.66 113.62 117.20 1jts n SER 22 Ca -0.10 1.01 0.17 0.00 -0.26 0.00 0.00 58.87 59.69 1jts n SER 22 Cb 0.51 -1.28 0.51 0.00 -0.26 0.00 0.00 64.21 63.69 1jts n SER 22 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1jts h ASP 23 N 1.35 0.39 0.32 4.04 5.19 -1.97 0.39 116.42 126.13 1jts h ASP 23 Ca -0.43 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 1jts h ASP 23 Cb 1.36 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1jts h ASP 23 CO 0.56 0.19 -0.18 -1.28 -3.12 0.00 0.00 179.24 175.41 1jts h SER 24 N 0.41 -0.44 -0.71 6.45 0.87 -1.99 -0.41 113.55 117.72 1jts h SER 24 Ca 0.40 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 61.02 1jts h SER 24 Cb 0.94 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 1jts h SER 24 CO -0.13 -0.28 0.47 -0.08 -0.53 0.00 0.00 176.83 176.27 1jts h GLU 25 N -0.46 0.81 0.64 2.24 4.57 -1.77 -0.01 114.58 120.61 1jts h GLU 25 Ca -0.04 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 1jts h GLU 25 Cb 0.36 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1jts h GLU 25 CO 0.06 0.54 -0.31 0.87 -1.18 0.00 0.00 179.01 178.99 1jts h LYS 26 N 0.84 -0.83 -0.71 1.92 1.57 -0.17 0.10 116.57 119.28 1jts h LYS 26 Ca 0.29 0.06 0.10 0.00 -1.87 0.00 0.00 60.65 59.23 1jts h LYS 26 Cb 0.10 0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 1jts h LYS 26 CO -0.09 -0.56 0.34 0.87 -0.57 0.00 0.00 179.45 179.45 1jts h LYS 27 N -0.88 0.56 0.24 3.15 1.57 -0.93 0.46 116.57 120.73 1jts h LYS 27 Ca -0.09 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1jts h LYS 27 Cb 0.66 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1jts h LYS 27 CO 0.15 0.37 -0.40 0.00 -0.57 0.00 0.00 179.45 179.00 1jts h ALA 28 N 1.44 -0.77 -0.04 3.86 0.00 -0.93 -2.24 119.26 120.59 1jts h ALA 28 Ca 0.36 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1jts h ALA 28 Cb 0.40 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1jts h ALA 28 CO -0.28 -0.99 -0.06 1.15 0.00 0.00 0.00 179.25 179.07 1jts h THR 29 N -0.71 0.82 -1.03 0.00 2.02 -0.44 -2.21 112.91 111.37 1jts h THR 29 Ca -0.00 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.44 1jts h THR 29 Cb 0.69 0.82 -0.10 0.00 -1.74 0.00 0.00 68.15 67.82 1jts h THR 29 CO -0.16 0.00 0.65 0.58 0.37 0.00 0.00 175.52 176.95 1jts h VAL 30 N -0.09 0.53 -0.21 3.16 2.07 -0.74 0.17 116.25 121.13 1jts h VAL 30 Ca 0.04 -0.16 -0.16 0.00 0.82 0.00 0.00 66.70 67.24 1jts h VAL 30 Cb 0.15 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1jts h VAL 30 CO -0.10 0.08 -0.49 -0.33 0.02 0.00 0.00 177.57 176.76 1jts h GLU 31 N 0.47 0.71 -0.50 1.57 4.39 -0.86 -1.83 114.58 118.52 1jts h GLU 31 Ca 0.61 -0.48 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1jts h GLU 31 Cb 1.40 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.09 1jts h GLU 31 CO -0.36 1.10 0.29 1.25 -1.16 0.00 0.00 179.01 180.13 1jts h LEU 32 N 0.42 0.62 0.13 1.33 5.85 -0.21 -2.34 115.31 121.11 1jts h LEU 32 Ca -0.00 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1jts h LEU 32 Cb 1.10 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1jts h LEU 32 CO 0.11 0.51 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.59 1jts h LEU 33 N 0.67 -0.15 -2.03 2.25 3.38 -0.90 -2.86 115.31 115.68 1jts h LEU 33 Ca 0.18 -0.28 0.14 0.00 0.09 0.00 0.00 57.88 58.00 1jts h LEU 33 Cb 0.02 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1jts h LEU 33 CO -0.03 0.22 0.39 0.78 0.09 0.00 0.00 178.44 179.89 1jts h ASN 34 N -0.53 0.00 0.75 -0.43 2.35 -1.31 0.22 115.58 116.62 1jts h ASN 34 Ca -0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1jts h ASN 34 Cb 0.42 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.80 1jts h ASN 34 CO 0.03 0.00 -0.36 -0.09 -1.65 0.00 0.00 177.43 175.36 1jts h ARG 35 N 0.00 -0.96 -0.64 0.81 2.43 -1.20 -2.29 114.38 112.52 1jts h ARG 35 Ca 0.22 0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.52 1jts h ARG 35 Cb 1.01 0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 30.72 1jts h ARG 35 CO -0.00 -0.62 0.34 1.96 -1.51 0.00 0.00 179.97 180.14 1jts h GLN 36 N -1.17 0.61 -0.26 0.20 1.08 -0.88 -2.22 115.11 112.48 1jts h GLN 36 Ca -0.10 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.12 1jts h GLN 36 Cb 0.79 -0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 28.01 1jts h GLN 36 CO 0.17 0.41 -0.17 0.28 -0.95 0.00 0.00 178.83 178.57 1jts h VAL 37 N 0.63 0.52 -0.27 -0.54 2.07 -0.62 0.42 116.25 118.46 1jts h VAL 37 Ca 0.29 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.85 1jts h VAL 37 Cb 0.20 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1jts h VAL 37 CO -0.19 0.00 0.03 0.40 0.02 0.00 0.00 177.57 177.83 1jts h ILE 38 N -0.15 0.84 -0.71 4.57 2.04 -1.10 0.75 117.51 123.76 1jts h ILE 38 Ca 0.14 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1jts h ILE 38 Cb 0.36 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1jts h ILE 38 CO -0.35 0.02 0.40 -0.61 0.00 0.00 0.00 178.15 177.61 1jts h GLN 39 N 0.12 0.98 -0.07 2.37 4.15 -0.76 -1.94 115.11 119.97 1jts h GLN 39 Ca 0.13 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 1jts h GLN 39 Cb 0.15 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 1jts h GLN 39 CO -0.19 0.72 -0.09 0.74 -1.93 0.00 0.00 178.83 178.09 1jts h PHE 40 N 0.97 0.22 -0.74 3.99 -1.00 0.12 -1.27 116.94 119.23 1jts h PHE 40 Ca 0.25 -0.07 0.14 0.00 2.81 0.00 0.00 57.97 61.10 1jts h PHE 40 Cb 0.02 -0.04 -0.09 0.00 3.61 0.00 0.00 35.95 39.44 1jts h PHE 40 CO -0.01 0.65 0.29 0.82 -1.61 0.00 0.00 178.31 178.45 1jts h ILE 41 N -0.27 0.66 -0.36 -0.55 2.04 -0.77 0.21 117.51 118.46 1jts h ILE 41 Ca 0.01 -0.15 -0.13 0.00 1.00 0.00 0.00 64.86 65.59 1jts h ILE 41 Cb 0.62 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1jts h ILE 41 CO 0.02 0.08 -0.29 -0.78 0.00 0.00 0.00 178.15 177.18 1jts h ASP 42 N 0.43 0.89 -0.74 1.72 3.58 -1.33 -1.82 116.42 119.15 1jts h ASP 42 Ca 0.40 -0.45 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1jts h ASP 42 Cb 0.61 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.37 1jts h ASP 42 CO -0.40 1.15 0.45 0.25 -2.88 0.00 0.00 179.24 177.81 1jts h LEU 43 N 0.64 0.90 -0.13 2.28 5.85 0.04 -0.23 115.31 124.66 1jts h LEU 43 Ca 0.07 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1jts h LEU 43 Cb 0.87 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1jts h LEU 43 CO 0.08 0.69 -0.02 0.77 -0.34 0.00 0.00 178.44 179.62 1jts h SER 44 N 1.03 0.24 -0.90 1.25 4.64 -0.52 -0.66 113.55 118.63 1jts h SER 44 Ca 0.27 -0.35 0.10 0.00 -0.47 0.00 0.00 61.79 61.34 1jts h SER 44 Cb -0.04 -0.07 -0.08 0.00 -0.31 0.00 0.00 62.40 61.91 1jts h SER 44 CO -0.05 0.53 0.55 -0.07 -0.87 0.00 0.00 176.83 176.92 1jts h LEU 45 N -0.06 0.80 -0.49 5.97 3.38 -0.85 -1.78 115.31 122.28 1jts h LEU 45 Ca 0.03 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1jts h LEU 45 Cb 0.42 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1jts h LEU 45 CO 0.01 0.46 0.15 0.40 0.09 0.00 0.00 178.44 179.55 1jts h ILE 46 N 0.91 1.23 -0.72 1.22 2.04 -0.85 -1.86 117.51 119.47 1jts h ILE 46 Ca 0.43 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.58 1jts h ILE 46 Cb 0.37 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1jts h ILE 46 CO -0.24 0.28 0.43 0.74 0.00 0.00 0.00 178.15 179.36 1jts h THR 47 N 0.66 1.03 -0.62 -0.27 2.02 -0.28 -0.26 112.91 115.19 1jts h THR 47 Ca 0.16 -0.28 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 1jts h THR 47 Cb 0.27 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1jts h THR 47 CO -0.01 0.15 0.02 0.11 0.37 0.00 0.00 175.52 176.16 1jts h LYS 48 N 0.81 1.08 0.14 6.66 1.79 -1.18 0.60 116.57 126.47 1jts h LYS 48 Ca 0.31 -0.33 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1jts h LYS 48 Cb 0.13 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 1jts h LYS 48 CO -0.15 1.04 -0.24 0.37 -1.08 0.00 0.00 179.45 179.38 1jts h GLN 49 N 0.99 -0.43 0.05 3.15 5.75 -0.42 0.91 115.11 125.10 1jts h GLN 49 Ca 0.18 0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.71 1jts h GLN 49 Cb 0.54 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.19 1jts h GLN 49 CO 0.03 -0.29 -0.02 0.00 -2.65 0.00 0.00 178.83 175.89 1jts h ALA 50 N 0.30 -0.06 -0.62 3.38 0.00 -0.95 -2.64 119.26 118.66 1jts h ALA 50 Ca 0.02 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1jts h ALA 50 Cb 0.46 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.16 1jts h ALA 50 CO -0.12 -0.53 -0.18 1.25 0.00 0.00 0.00 179.25 179.67 1jts h HIS 51 N -0.08 -0.42 -0.50 0.00 -0.00 -0.58 -2.44 115.15 111.13 1jts h HIS 51 Ca -0.01 0.06 -0.11 0.00 -0.00 0.00 0.00 60.37 60.32 1jts h HIS 51 Cb 0.07 0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.74 1jts h HIS 51 CO -0.07 -0.29 -0.10 -1.49 -0.00 0.00 0.00 177.93 175.98 1jts h TRP 52 N -0.03 1.07 -0.58 5.26 6.55 -0.69 -3.33 115.95 124.20 1jts h TRP 52 Ca 0.29 -0.22 0.00 0.00 0.95 0.00 0.00 58.89 59.91 1jts h TRP 52 Cb 0.48 -0.26 0.00 0.00 -0.86 0.00 0.00 29.16 28.51 1jts h TRP 52 CO -0.53 1.02 0.00 0.09 -1.05 0.00 0.00 178.44 177.97 1jts n ASN 53 N -4.21 5.63 -4.93 -3.49 3.02 -0.96 -4.98 115.26 105.34 1jts n ASN 53 Ca 0.01 -2.88 -0.25 0.00 -0.03 0.00 0.00 54.58 51.43 1jts n ASN 53 Cb 0.39 -0.68 -0.01 0.00 -0.61 0.00 0.00 39.78 38.87 1jts n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jts s MET 54 N -2.66 3.51 0.05 3.52 0.23 -0.96 -4.63 119.30 118.36 1jts s MET 54 Ca 0.54 -0.23 -0.22 0.00 -1.03 0.00 0.00 55.69 54.74 1jts s MET 54 Cb 0.41 -2.63 0.05 0.00 -1.53 0.00 0.00 34.83 31.12 1jts s MET 54 CO 0.17 0.12 0.52 1.03 -2.03 0.00 0.00 175.02 174.83 1jts s ARG 55 N -4.24 1.04 0.00 3.16 0.52 -1.02 -4.95 118.95 113.45 1jts s ARG 55 Ca 0.41 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.36 1jts s ARG 55 Cb -0.10 0.48 0.00 0.00 0.52 0.00 0.00 34.95 35.85 1jts s ARG 55 CO 0.36 -0.38 0.00 0.41 0.02 0.00 0.00 175.30 175.71 1jts n GLY 56 N 0.36 0.43 3.77 -3.53 0.00 -1.26 -1.27 105.19 103.69 1jts n GLY 56 Ca -0.18 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.14 1jts n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jts s ALA 57 N -1.97 3.61 -1.48 4.61 0.00 -1.26 -2.63 121.76 122.65 1jts s ALA 57 Ca 0.00 1.53 -0.06 0.00 0.00 0.00 0.00 51.96 53.44 1jts s ALA 57 Cb 0.00 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.54 1jts s ALA 57 CO 0.00 -0.99 0.53 -1.71 0.00 0.00 0.00 175.76 173.59 1jts n ASN 58 N 1.03 -5.40 0.33 0.00 5.15 -1.26 -4.83 115.26 110.28 1jts n ASN 58 Ca 0.03 -0.28 -0.13 0.00 -0.60 0.00 0.00 54.58 53.59 1jts n ASN 58 Cb 0.39 -4.39 -0.06 0.00 -0.53 0.00 0.00 39.78 35.18 1jts n ASN 58 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1jts h PHE 59 N -1.17 -0.80 -0.37 1.20 3.04 -1.87 -3.05 116.94 113.92 1jts h PHE 59 Ca -0.49 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 61.52 1jts h PHE 59 Cb 1.34 0.26 -0.08 0.00 2.56 0.00 0.00 35.95 40.04 1jts h PHE 59 CO 0.58 -0.50 -0.14 0.97 -2.02 0.00 0.00 178.31 177.20 1jts h ILE 60 N -0.99 0.54 -0.74 1.41 6.09 -1.92 0.49 117.51 122.40 1jts h ILE 60 Ca -0.09 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.43 1jts h ILE 60 Cb 0.66 0.54 -0.04 0.00 0.47 0.00 0.00 36.82 38.44 1jts h ILE 60 CO 0.14 0.00 0.47 0.00 -3.07 0.00 0.00 178.15 175.70 1jts h ALA 61 N 1.26 0.96 -0.19 0.18 0.00 -1.99 -0.62 119.26 118.86 1jts h ALA 61 Ca 0.18 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1jts h ALA 61 Cb 0.34 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1jts h ALA 61 CO -0.42 0.28 -0.43 0.28 0.00 0.00 0.00 179.25 178.96 1jts h VAL 62 N 0.93 1.33 -0.30 0.00 2.07 -1.32 -0.01 116.25 118.95 1jts h VAL 62 Ca 0.29 -1.67 0.07 0.00 0.82 0.00 0.00 66.70 66.20 1jts h VAL 62 Cb -0.01 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 1jts h VAL 62 CO -0.10 0.52 -0.18 -0.74 0.02 0.00 0.00 177.57 177.09 1jts h HIS 63 N 0.30 -0.45 -0.25 1.57 6.17 0.32 0.10 115.15 122.92 1jts h HIS 63 Ca -0.00 0.04 -0.12 0.00 0.71 0.00 0.00 60.37 60.99 1jts h HIS 63 Cb 1.04 0.24 -0.00 0.00 2.52 0.00 0.00 27.41 31.21 1jts h HIS 63 CO 0.09 -0.25 -0.32 0.93 0.71 0.00 0.00 177.93 179.08 1jts h GLU 64 N -0.14 0.66 -0.61 5.26 5.08 -1.12 -3.11 114.58 120.60 1jts h GLU 64 Ca 0.16 -0.38 0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1jts h GLU 64 Cb 0.38 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 1jts h GLU 64 CO -0.39 0.99 0.17 1.98 -1.00 0.00 0.00 179.01 180.76 1jts h MET 65 N 0.38 0.30 -0.89 2.33 4.05 -0.43 -0.63 114.93 120.03 1jts h MET 65 Ca 0.03 -0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.50 1jts h MET 65 Cb 0.90 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.57 1jts h MET 65 CO 0.08 0.20 0.55 -0.07 0.23 0.00 0.00 176.91 177.90 1jts h LEU 66 N 0.31 0.85 -0.98 3.39 4.07 -0.78 -1.59 115.31 120.58 1jts h LEU 66 Ca 0.32 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.34 1jts h LEU 66 Cb 0.45 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 41.98 1jts h LEU 66 CO -0.37 0.53 0.64 -0.78 -1.08 0.00 0.00 178.44 177.37 1jts h ASP 67 N 0.98 1.05 -0.43 -0.43 1.82 -1.06 -1.77 116.42 116.58 1jts h ASP 67 Ca 0.40 -0.01 0.04 0.00 -0.39 0.00 0.00 57.03 57.07 1jts h ASP 67 Cb 0.23 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 39.97 1jts h ASP 67 CO -0.19 0.71 0.21 1.23 -1.61 0.00 0.00 179.24 179.59 1jts h GLY 68 N 1.22 0.59 0.77 -0.78 0.00 -0.95 -2.26 103.07 101.65 1jts h GLY 68 Ca 0.39 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.61 1jts h GLY 68 CO -0.13 0.10 0.04 0.74 0.00 0.00 0.00 176.54 177.28 1jts h PHE 69 N 0.42 0.06 -0.65 5.60 0.04 -1.10 -2.39 116.94 118.93 1jts h PHE 69 Ca 0.19 0.01 0.14 0.00 2.80 0.00 0.00 57.97 61.10 1jts h PHE 69 Cb 0.10 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.14 1jts h PHE 69 CO -0.11 0.02 -0.04 -0.09 -0.60 0.00 0.00 178.31 177.49 1jts h ARG 70 N 0.11 0.08 -0.35 1.51 2.43 -0.80 0.32 114.38 117.68 1jts h ARG 70 Ca 0.09 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1jts h ARG 70 Cb 0.09 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1jts h ARG 70 CO -0.12 0.05 0.16 1.15 -1.51 0.00 0.00 179.97 179.70 1jts h THR 71 N 0.08 0.96 -0.53 0.20 2.02 -1.04 -1.52 112.91 113.08 1jts h THR 71 Ca 0.33 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.34 1jts h THR 71 Cb 0.55 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1jts h THR 71 CO -0.58 0.06 0.10 0.00 0.37 0.00 0.00 175.52 175.47 1jts h ALA 72 N 1.19 0.70 0.07 6.16 0.00 -0.57 -2.43 119.26 124.38 1jts h ALA 72 Ca 0.15 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jts h ALA 72 Cb 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1jts h ALA 72 CO -0.12 0.42 -0.28 -0.07 0.00 0.00 0.00 179.25 179.21 1jts h LEU 73 N 0.75 -0.81 -1.02 0.00 4.07 -0.11 -1.43 115.31 116.76 1jts h LEU 73 Ca 0.16 0.10 0.13 0.00 0.08 0.00 0.00 57.88 58.35 1jts h LEU 73 Cb 0.38 0.32 -0.09 0.00 1.08 0.00 0.00 40.66 42.35 1jts h LEU 73 CO 0.01 -0.36 0.63 0.40 -1.08 0.00 0.00 178.44 178.04 1jts h ILE 74 N -0.46 0.89 0.69 1.22 2.04 -1.17 0.12 117.51 120.84 1jts h ILE 74 Ca 0.04 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1jts h ILE 74 Cb 0.51 -0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1jts h ILE 74 CO -0.20 0.17 -0.33 0.00 0.00 0.00 0.00 178.15 177.80 1jts h HIS 76 N -0.99 -0.24 -0.51 0.00 3.86 -0.84 -0.88 115.15 115.55 1jts h HIS 76 Ca -0.09 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.22 1jts h HIS 76 Cb 0.73 0.13 -0.10 0.00 1.06 0.00 0.00 27.41 29.22 1jts h HIS 76 CO -0.02 -0.15 -0.35 1.25 0.86 0.00 0.00 177.93 179.52 1jts h LEU 77 N -0.10 -1.20 -1.24 2.43 6.46 -0.70 -0.10 115.31 120.85 1jts h LEU 77 Ca 0.09 0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 58.04 1jts h LEU 77 Cb 0.23 0.57 -0.02 0.00 -0.73 0.00 0.00 40.66 40.71 1jts h LEU 77 CO -0.21 -0.32 0.21 0.00 -0.62 0.00 0.00 178.44 177.50 1jts h ALA 78 N 0.82 1.41 -0.57 1.25 0.00 -0.35 -1.23 119.26 120.58 1jts h ALA 78 Ca 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1jts h ALA 78 Cb 0.55 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1jts h ALA 78 CO -0.62 0.45 0.12 1.15 0.00 0.00 0.00 179.25 180.35 1jts h THR 79 N 0.73 1.24 -0.04 0.00 2.02 0.33 -1.13 112.91 116.05 1jts h THR 79 Ca 0.18 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1jts h THR 79 Cb 0.14 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1jts h THR 79 CO -0.02 0.33 -0.04 0.24 0.37 0.00 0.00 175.52 176.40 1jts h MET 80 N 0.86 0.10 -0.92 6.66 2.86 -0.33 -1.75 114.93 122.41 1jts h MET 80 Ca 0.18 -0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.92 1jts h MET 80 Cb 0.34 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.91 1jts h MET 80 CO 0.00 0.57 0.52 0.00 1.06 0.00 0.00 176.91 179.06 1jts h ALA 81 N 0.53 1.42 -0.40 6.32 0.00 -1.02 -0.13 119.26 125.97 1jts h ALA 81 Ca 0.01 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1jts h ALA 81 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1jts h ALA 81 CO 0.01 -0.01 -0.21 0.93 0.00 0.00 0.00 179.25 179.97 1jts h GLU 82 N 0.74 0.78 -0.60 0.00 5.08 -1.13 -2.06 114.58 117.40 1jts h GLU 82 Ca 0.50 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1jts h GLU 82 Cb 0.67 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1jts h GLU 82 CO -0.34 0.93 0.24 -0.09 -1.00 0.00 0.00 179.01 178.74 1jts h ARG 83 N 0.69 0.89 0.07 2.33 9.65 -0.14 -0.35 114.38 127.51 1jts h ARG 83 Ca 0.10 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1jts h ARG 83 Cb 0.72 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 1jts h ARG 83 CO 0.06 0.76 -0.07 0.00 2.80 0.00 0.00 179.97 183.52 1jts h ALA 84 N 1.09 -0.13 -0.67 2.80 0.00 -1.02 -2.47 119.26 118.86 1jts h ALA 84 Ca 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1jts h ALA 84 Cb 0.20 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1jts h ALA 84 CO -0.02 -0.59 0.35 0.28 0.00 0.00 0.00 179.25 179.28 1jts h VAL 85 N -0.16 1.21 0.00 0.00 2.07 -1.14 -1.44 116.25 116.78 1jts h VAL 85 Ca 0.01 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1jts h VAL 85 Cb 0.15 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1jts h VAL 85 CO -0.02 0.23 -0.15 1.56 0.02 0.00 0.00 177.57 179.21 1jts h GLN 86 N 0.94 0.00 -0.13 1.57 4.20 -0.79 -1.16 115.11 119.74 1jts h GLN 86 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1jts h GLN 86 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1jts h GLN 86 CO -0.04 0.15 0.00 1.28 -0.67 0.00 0.00 178.83 179.56 1jts n LEU 87 N -3.99 1.30 0.00 1.46 4.77 -0.70 -4.88 117.00 114.96 1jts n LEU 87 Ca -0.02 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1jts n LEU 87 Cb 0.24 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1jts n LEU 87 CO 0.33 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1jts n GLY 88 N 1.05 0.71 0.00 -0.72 0.00 -0.44 -4.82 105.19 100.98 1jts n GLY 88 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1jts n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jts n GLY 89 N -2.08 0.23 2.96 -0.02 0.00 -0.63 -0.91 105.19 104.75 1jts n GLY 89 Ca 0.00 -1.86 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 1jts n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jts s VAL 90 N 0.06 1.26 0.08 1.61 1.01 -1.26 -4.36 120.40 118.79 1jts s VAL 90 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 1jts s VAL 90 Cb 0.00 -1.23 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 1jts s VAL 90 CO 0.00 0.41 1.23 0.00 0.00 0.00 0.00 175.10 176.74 1jts s ALA 91 N 1.55 3.43 -0.30 5.51 0.00 -1.26 -4.96 121.76 125.73 1jts s ALA 91 Ca 0.04 0.90 -0.05 0.00 0.00 0.00 0.00 51.96 52.84 1jts s ALA 91 Cb -0.13 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.56 1jts s ALA 91 CO -0.08 -0.46 0.06 -0.51 0.00 0.00 0.00 175.76 174.77 1jts s LEU 92 N 0.99 3.91 0.00 0.00 1.43 -1.26 -4.93 118.68 118.83 1jts s LEU 92 Ca 0.59 -0.93 0.08 0.00 -1.03 0.00 0.00 54.13 52.84 1jts s LEU 92 Cb -0.31 -1.83 0.13 0.00 0.03 0.00 0.00 46.19 44.22 1jts s LEU 92 CO 0.30 -0.23 1.00 0.61 0.23 0.00 0.00 176.35 178.26 1jts n GLY 93 N 4.80 0.70 3.86 -3.19 0.00 -1.26 -4.48 105.19 105.62 1jts n GLY 93 Ca -0.14 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1jts n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jts s THR 94 N 0.00 4.63 0.17 2.61 -4.23 -1.26 -4.89 115.64 112.66 1jts s THR 94 Ca 0.10 1.02 -0.17 0.00 -1.18 0.00 0.00 61.69 61.47 1jts s THR 94 Cb 0.12 -3.80 0.10 0.00 1.34 0.00 0.00 72.50 70.26 1jts s THR 94 CO -0.05 -0.92 1.67 0.74 -0.54 0.00 0.00 174.62 175.52 1jts h THR 95 N 0.29 0.60 -0.29 3.99 2.02 -1.99 -1.45 112.91 116.09 1jts h THR 95 Ca -0.45 -0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.78 1jts h THR 95 Cb 1.19 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 68.13 1jts h THR 95 CO 0.62 0.00 -0.08 0.06 0.37 0.00 0.00 175.52 176.49 1jts h GLN 96 N 0.01 -0.02 -0.75 6.66 -0.00 -1.99 0.43 115.11 119.46 1jts h GLN 96 Ca 0.20 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.86 1jts h GLN 96 Cb 0.30 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.74 1jts h GLN 96 CO -0.41 -0.01 0.49 0.28 -0.00 0.00 0.00 178.83 179.18 1jts h VAL 97 N -0.02 1.16 0.28 1.86 2.07 -1.83 -2.32 116.25 117.45 1jts h VAL 97 Ca 0.14 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1jts h VAL 97 Cb 0.23 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1jts h VAL 97 CO -0.31 0.18 -0.13 0.40 0.02 0.00 0.00 177.57 177.73 1jts h ILE 98 N 0.98 0.76 -0.78 4.57 1.08 -0.59 -2.04 117.51 121.49 1jts h ILE 98 Ca 0.28 -0.50 0.17 0.00 -0.39 0.00 0.00 64.86 64.42 1jts h ILE 98 Cb -0.06 1.03 -0.14 0.00 -3.07 0.00 0.00 36.82 34.58 1jts h ILE 98 CO -0.08 0.10 -0.08 -1.13 -0.69 0.00 0.00 178.15 176.28 1jts h ASN 99 N -0.65 -0.51 0.00 1.72 -0.73 0.01 -1.30 115.58 114.13 1jts h ASN 99 Ca -0.04 0.22 0.00 0.00 1.87 0.00 0.00 56.30 58.35 1jts h ASN 99 Cb 0.46 0.41 0.00 0.00 0.27 0.00 0.00 38.32 39.46 1jts h ASN 99 CO 0.06 -0.22 0.00 -1.54 -0.37 0.00 0.00 177.43 175.36 1jts n SER 100 N -5.42 0.00 -1.32 1.15 3.41 -0.89 -4.13 113.62 106.42 1jts n SER 100 Ca 0.13 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1jts n SER 100 Cb 0.46 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1jts n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jts n LYS 101 N -0.86 0.36 -3.43 4.33 5.02 -0.77 -4.77 118.16 118.04 1jts n LYS 101 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1jts n LYS 101 Cb 0.00 -1.32 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 1jts n LYS 101 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1jts s THR 102 N 0.89 5.19 -1.60 -0.18 -1.32 -0.49 -4.77 115.64 113.36 1jts s THR 102 Ca 0.00 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1jts s THR 102 Cb 0.00 -3.79 0.00 0.00 -1.51 0.00 0.00 72.50 67.20 1jts s THR 102 CO 0.00 -0.05 0.74 -0.81 -2.21 0.00 0.00 174.62 172.29 1jts n PRO 103 N 5.33 0.92 -4.47 7.08 -0.04 -1.26 -4.80 135.00 137.76 1jts n PRO 103 Ca -0.10 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.02 1jts n PRO 103 Cb 0.50 -1.18 -0.12 0.00 -0.04 0.00 0.00 33.50 32.66 1jts n PRO 103 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jts s LEU 104 N -0.60 3.25 0.54 1.53 1.43 -1.26 -5.05 118.68 118.51 1jts s LEU 104 Ca 0.00 -0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 52.82 1jts s LEU 104 Cb 0.00 -1.76 -0.06 0.00 0.03 0.00 0.00 46.19 44.40 1jts s LEU 104 CO 0.00 0.25 1.10 1.17 0.23 0.00 0.00 176.35 179.10 1jts n LYS 105 N 3.01 1.27 -1.90 1.70 4.81 -1.26 -4.88 118.16 120.91 1jts n LYS 105 Ca -0.18 0.47 -0.41 0.00 -0.87 0.00 0.00 58.31 57.33 1jts n LYS 105 Cb 0.53 -2.26 -0.01 0.00 0.02 0.00 0.00 35.03 33.31 1jts n LYS 105 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1jts s SER 106 N -1.00 6.42 0.15 3.14 0.15 -1.26 -4.95 113.70 116.34 1jts s SER 106 Ca 0.71 2.92 -0.30 0.00 0.70 0.00 0.00 55.95 59.98 1jts s SER 106 Cb -0.45 -2.66 -0.07 0.00 -1.71 0.00 0.00 66.02 61.13 1jts s SER 106 CO 0.50 -0.81 0.95 -0.47 1.20 0.00 0.00 173.24 174.62 1jts s TYR 107 N -1.14 3.86 -0.36 3.44 6.14 -1.26 -4.95 117.35 123.08 1jts s TYR 107 Ca 0.53 1.83 -0.32 0.00 0.64 0.00 0.00 57.07 59.75 1jts s TYR 107 Cb -0.44 -3.03 -0.09 0.00 0.42 0.00 0.00 41.96 38.82 1jts s TYR 107 CO 0.59 0.28 2.26 -2.30 0.64 0.00 0.00 175.55 177.02 1jts n PRO 108 N 2.42 1.30 -0.45 4.97 -0.02 -1.26 -4.85 135.00 137.11 1jts n PRO 108 Ca 0.01 0.31 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 1jts n PRO 108 Cb 0.49 -2.79 0.06 0.00 -0.02 0.00 0.00 33.50 31.24 1jts n PRO 108 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jts n LEU 109 N 11.29 4.41 0.00 2.45 4.32 -1.26 -3.98 117.00 134.23 1jts n LEU 109 Ca 0.38 -2.28 0.00 0.00 -0.02 0.00 0.00 56.01 54.09 1jts n LEU 109 Cb 0.33 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 1jts n LEU 109 CO 0.73 0.72 0.05 -0.90 -1.22 0.00 0.00 177.39 176.77 1jts n ASP 110 N -0.03 0.00 -4.92 -1.43 5.68 -1.26 -5.12 116.55 109.48 1jts n ASP 110 Ca 0.21 -1.00 -0.26 0.00 -0.50 0.00 0.00 54.79 53.23 1jts n ASP 110 Cb 0.89 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.88 1jts n ASP 110 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1jts s ILE 111 N 0.00 4.45 0.00 2.12 -4.36 -1.26 -5.03 121.20 117.12 1jts s ILE 111 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.42 1jts s ILE 111 Cb 0.00 -3.70 0.00 0.00 1.25 0.00 0.00 42.46 40.01 1jts s ILE 111 CO 0.00 -0.66 0.00 1.41 0.24 0.00 0.00 174.94 175.93 1jts n HIS 112 N -2.31 0.00 -1.49 1.37 8.25 -1.26 -4.90 115.22 114.88 1jts n HIS 112 Ca 0.02 0.00 -0.48 0.00 -0.26 0.00 0.00 57.72 57.00 1jts n HIS 112 Cb 0.56 0.31 -0.03 0.00 1.12 0.00 0.00 29.99 31.95 1jts n HIS 112 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1jts n ASN 113 N -2.61 -0.08 -0.03 0.41 2.85 -1.26 -2.45 115.26 112.09 1jts n ASN 113 Ca 0.00 1.15 -0.09 0.00 -0.11 0.00 0.00 54.58 55.53 1jts n ASN 113 Cb 0.17 -1.09 -0.03 0.00 1.24 0.00 0.00 39.78 40.07 1jts n ASN 113 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1jts h VAL 114 N 1.61 0.78 -0.79 3.44 2.07 -1.50 -1.51 116.25 120.35 1jts h VAL 114 Ca -0.35 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.33 1jts h VAL 114 Cb 1.40 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1jts h VAL 114 CO 0.60 0.00 0.53 1.56 0.02 0.00 0.00 177.57 180.27 1jts h GLN 115 N -0.02 0.40 0.15 1.57 1.08 -1.88 0.35 115.11 116.76 1jts h GLN 115 Ca 0.09 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1jts h GLN 115 Cb 0.17 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1jts h GLN 115 CO -0.21 0.27 -0.07 -0.44 -0.95 0.00 0.00 178.83 177.43 1jts h ASP 116 N 0.42 -0.17 -1.00 1.46 3.45 -1.63 -2.45 116.42 116.49 1jts h ASP 116 Ca 0.39 -0.16 0.03 0.00 0.43 0.00 0.00 57.03 57.72 1jts h ASP 116 Cb 0.91 0.04 -0.06 0.00 -0.56 0.00 0.00 39.33 39.67 1jts h ASP 116 CO -0.13 0.07 0.66 0.45 -1.57 0.00 0.00 179.24 178.71 1jts h HIS 117 N -0.41 1.23 -0.25 4.55 3.86 -0.71 -0.95 115.15 122.46 1jts h HIS 117 Ca -0.02 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1jts h HIS 117 Cb 0.33 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1jts h HIS 117 CO -0.00 0.72 0.16 -0.07 0.86 0.00 0.00 177.93 179.60 1jts h LEU 118 N 1.28 0.30 -0.18 2.43 4.07 -0.90 0.15 115.31 122.46 1jts h LEU 118 Ca 0.39 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.32 1jts h LEU 118 Cb -0.02 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1jts h LEU 118 CO -0.12 0.24 0.11 0.11 -1.08 0.00 0.00 178.44 177.70 1jts h LYS 119 N 0.33 0.24 -0.37 1.13 1.57 -1.01 0.58 116.57 119.04 1jts h LYS 119 Ca 0.09 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1jts h LYS 119 Cb -0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1jts h LYS 119 CO -0.02 0.21 0.25 0.93 -0.57 0.00 0.00 179.45 180.25 1jts h GLU 120 N 0.21 0.50 -0.16 3.15 4.39 -0.99 -2.28 114.58 119.38 1jts h GLU 120 Ca 0.06 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1jts h GLU 120 Cb 0.03 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1jts h GLU 120 CO -0.01 0.33 0.07 -0.07 -1.16 0.00 0.00 179.01 178.17 1jts h LEU 121 N 0.51 0.22 -0.77 1.33 3.38 -0.42 -2.74 115.31 116.82 1jts h LEU 121 Ca 0.14 -0.14 0.18 0.00 0.09 0.00 0.00 57.88 58.14 1jts h LEU 121 Cb -0.05 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 40.51 1jts h LEU 121 CO -0.03 0.30 0.02 0.00 0.09 0.00 0.00 178.44 178.83 1jts h ALA 122 N 0.92 0.83 0.92 1.53 0.00 0.42 0.20 119.26 124.09 1jts h ALA 122 Ca 0.06 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1jts h ALA 122 Cb 0.15 0.41 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1jts h ALA 122 CO -0.01 -0.43 -0.44 -0.44 0.00 0.00 0.00 179.25 177.94 1jts h ASP 123 N 0.11 -1.04 -0.89 0.00 3.45 -1.19 0.00 116.42 116.87 1jts h ASP 123 Ca 0.43 0.03 0.08 0.00 0.43 0.00 0.00 57.03 58.00 1jts h ASP 123 Cb 0.76 0.27 -0.07 0.00 -0.56 0.00 0.00 39.33 39.73 1jts h ASP 123 CO -0.67 -0.71 0.54 0.03 -1.57 0.00 0.00 179.24 176.86 1jts h ARG 124 N -1.30 0.92 -0.46 3.56 2.47 -1.11 0.05 114.38 118.49 1jts h ARG 124 Ca -0.13 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.52 1jts h ARG 124 Cb 0.95 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 1jts h ARG 124 CO 0.21 0.61 0.23 1.88 0.56 0.00 0.00 179.97 183.45 1jts h TYR 125 N 0.94 0.66 -0.76 3.04 -1.99 -0.57 -1.97 116.97 116.32 1jts h TYR 125 Ca 0.41 -0.03 0.08 0.00 2.00 0.00 0.00 58.73 61.18 1jts h TYR 125 Cb 0.28 -0.21 -0.06 0.00 2.00 0.00 0.00 36.73 38.74 1jts h TYR 125 CO -0.03 0.53 0.43 0.00 -0.00 0.00 0.00 178.16 179.08 1jts h ALA 126 N 1.07 1.05 0.25 3.88 0.00 0.57 1.14 119.26 127.22 1jts h ALA 126 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jts h ALA 126 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1jts h ALA 126 CO -0.02 0.09 -0.23 0.82 0.00 0.00 0.00 179.25 179.91 1jts h ILE 127 N 0.76 0.51 -0.32 0.00 5.03 -0.59 -0.13 117.51 122.77 1jts h ILE 127 Ca 0.35 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 65.06 1jts h ILE 127 Cb 0.27 0.51 -0.01 0.00 -3.03 0.00 0.00 36.82 34.55 1jts h ILE 127 CO -0.21 0.00 0.09 0.58 -0.68 0.00 0.00 178.15 177.92 1jts h VAL 128 N -0.51 1.21 0.17 1.67 2.07 -0.61 -1.34 116.25 118.92 1jts h VAL 128 Ca -0.01 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.81 1jts h VAL 128 Cb 0.46 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1jts h VAL 128 CO -0.04 0.24 -0.20 0.00 0.02 0.00 0.00 177.57 177.59 1jts h ALA 129 N 0.92 -0.38 -0.85 1.67 0.00 0.14 -0.43 119.26 120.32 1jts h ALA 129 Ca 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1jts h ALA 129 Cb 0.28 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1jts h ALA 129 CO -0.00 -0.74 0.41 -0.91 0.00 0.00 0.00 179.25 178.00 1jts h ASN 130 N -0.41 1.12 0.34 0.00 2.35 -1.00 -1.53 115.58 116.45 1jts h ASN 130 Ca 0.01 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 1jts h ASN 130 Cb 0.40 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1jts h ASN 130 CO -0.07 0.94 -0.16 -0.78 -1.65 0.00 0.00 177.43 175.71 1jts h ASP 131 N 1.22 -0.39 -0.17 5.81 -0.00 -1.05 -2.73 116.42 119.10 1jts h ASP 131 Ca 0.29 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.03 57.18 1jts h ASP 131 Cb 0.12 0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.54 1jts h ASP 131 CO -0.04 -0.09 0.06 1.62 -0.00 0.00 0.00 179.24 180.79 1jts h VAL 132 N -0.70 1.12 -0.35 2.25 3.04 -1.05 -0.81 116.25 119.75 1jts h VAL 132 Ca -0.05 -0.41 -0.03 0.00 -1.01 0.00 0.00 66.70 65.20 1jts h VAL 132 Cb 0.49 0.88 -0.02 0.00 -2.01 0.00 0.00 31.29 30.63 1jts h VAL 132 CO 0.08 0.15 0.07 -0.09 -1.01 0.00 0.00 177.57 176.76 1jts h ARG 133 N 0.33 0.51 -0.03 4.17 2.43 -1.19 -2.62 114.38 117.98 1jts h ARG 133 Ca 0.08 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1jts h ARG 133 Cb 0.13 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1jts h ARG 133 CO -0.00 0.49 -0.42 0.87 -1.51 0.00 0.00 179.97 179.39 1jts h LYS 134 N 0.50 0.34 -1.01 0.20 1.57 -0.94 -3.23 116.57 114.01 1jts h LYS 134 Ca 0.12 -0.33 0.29 0.00 -1.87 0.00 0.00 60.65 58.86 1jts h LYS 134 Cb 0.22 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 1jts h LYS 134 CO -0.00 1.00 0.72 0.00 -0.57 0.00 0.00 179.45 180.59 1jts h ALA 135 N 0.36 2.90 -0.87 3.86 0.00 -0.83 0.72 119.26 125.39 1jts h ALA 135 Ca -0.04 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1jts h ALA 135 Cb 1.12 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1jts h ALA 135 CO 0.08 -1.19 0.49 0.82 0.00 0.00 0.00 179.25 179.45 1jts h ILE 136 N 0.03 0.84 -0.06 0.00 2.04 -1.52 -1.26 117.51 117.58 1jts h ILE 136 Ca 0.49 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 66.03 1jts h ILE 136 Cb 1.89 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1jts h ILE 136 CO -0.03 0.14 -0.18 1.23 0.00 0.00 0.00 178.15 179.32 1jts h GLY 137 N 0.76 0.25 0.71 5.37 0.00 -1.04 -3.14 103.07 105.98 1jts h GLY 137 Ca 0.45 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1jts h GLY 137 CO -0.30 0.29 0.00 -1.84 0.00 0.00 0.00 176.54 174.69 1jts n GLU 138 N -4.57 0.67 -3.12 4.80 0.28 -0.98 -4.63 120.64 113.10 1jts n GLU 138 Ca -0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.50 1jts n GLU 138 Cb 0.41 -1.36 -0.07 0.00 1.43 0.00 0.00 31.44 31.86 1jts n GLU 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jts s ALA 139 N -2.00 3.46 0.07 -1.84 0.00 -0.51 -4.93 121.76 116.01 1jts s ALA 139 Ca 0.23 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.35 1jts s ALA 139 Cb 0.11 -3.17 -0.25 0.00 0.00 0.00 0.00 23.12 19.80 1jts s ALA 139 CO 0.18 -1.33 1.12 0.87 0.00 0.00 0.00 175.76 176.59 1jts h LYS 140 N 8.46 0.15 -6.29 0.00 6.56 -1.88 -3.44 116.57 120.13 1jts h LYS 140 Ca -0.26 -0.26 -0.57 0.00 -1.06 0.00 0.00 60.65 58.50 1jts h LYS 140 Cb 1.11 0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 32.83 1jts h LYS 140 CO 0.83 1.08 1.02 0.34 -2.06 0.00 0.00 179.45 180.66 1jts s ASP 141 N -6.89 6.62 0.18 0.86 3.68 -1.26 -4.91 116.67 114.94 1jts s ASP 141 Ca -0.03 1.47 -0.21 0.00 2.13 0.00 0.00 52.55 55.91 1jts s ASP 141 Cb 0.08 -2.54 0.11 0.00 -1.45 0.00 0.00 42.92 39.13 1jts s ASP 141 CO 0.85 -1.08 1.59 0.44 0.13 0.00 0.00 175.17 177.10 1jts h ASP 142 N 9.60 -1.17 -0.32 -0.34 3.32 -1.99 0.92 116.42 126.43 1jts h ASP 142 Ca -0.29 0.22 0.06 0.00 0.02 0.00 0.00 57.03 57.04 1jts h ASP 142 Cb 1.12 0.57 -0.06 0.00 0.22 0.00 0.00 39.33 41.19 1jts h ASP 142 CO 1.01 -0.31 -0.06 0.44 -1.72 0.00 0.00 179.24 178.60 1jts h ASP 143 N -0.18 -0.26 -0.28 6.45 3.45 -1.98 -0.36 116.42 123.27 1jts h ASP 143 Ca 0.22 0.09 -0.03 0.00 0.43 0.00 0.00 57.03 57.75 1jts h ASP 143 Cb 0.55 0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.48 1jts h ASP 143 CO -0.66 -0.09 0.10 0.74 -1.57 0.00 0.00 179.24 177.76 1jts h THR 144 N 0.02 1.15 -0.25 0.35 2.02 -1.69 -0.29 112.91 114.23 1jts h THR 144 Ca 0.15 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1jts h THR 144 Cb 0.23 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1jts h THR 144 CO -0.31 0.19 0.03 0.00 0.37 0.00 0.00 175.52 175.80 1jts h ALA 145 N 1.63 0.33 -0.55 6.16 0.00 0.23 -1.97 119.26 125.09 1jts h ALA 145 Ca 0.12 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1jts h ALA 145 Cb 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1jts h ALA 145 CO -0.01 0.02 0.32 0.22 0.00 0.00 0.00 179.25 179.81 1jts h ASP 146 N 0.21 0.51 -0.74 0.00 1.82 -0.42 -0.37 116.42 117.43 1jts h ASP 146 Ca 0.07 0.01 0.07 0.00 -0.39 0.00 0.00 57.03 56.79 1jts h ASP 146 Cb 0.35 -0.10 -0.06 0.00 0.68 0.00 0.00 39.33 40.20 1jts h ASP 146 CO 0.01 0.36 0.42 0.40 -1.61 0.00 0.00 179.24 178.81 1jts h ILE 147 N 0.63 0.96 -0.30 2.25 2.04 -0.86 -2.15 117.51 120.08 1jts h ILE 147 Ca 0.23 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.70 1jts h ILE 147 Cb 0.05 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 1jts h ILE 147 CO -0.11 0.14 -0.34 -0.07 0.00 0.00 0.00 178.15 177.77 1jts h LEU 148 N 0.76 0.68 -0.52 1.44 3.38 -0.55 -2.31 115.31 118.18 1jts h LEU 148 Ca 0.34 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1jts h LEU 148 Cb 0.24 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1jts h LEU 148 CO -0.20 0.96 0.30 0.74 0.09 0.00 0.00 178.44 180.33 1jts h THR 149 N 0.55 1.17 -0.51 0.22 2.02 -0.49 0.40 112.91 116.26 1jts h THR 149 Ca 0.06 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1jts h THR 149 Cb 0.84 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1jts h THR 149 CO 0.07 0.17 0.26 0.00 0.37 0.00 0.00 175.52 176.39 1jts h ALA 150 N 1.14 0.66 -0.26 6.16 0.00 -1.30 0.26 119.26 125.92 1jts h ALA 150 Ca 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1jts h ALA 150 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1jts h ALA 150 CO -0.03 0.21 0.03 0.00 0.00 0.00 0.00 179.25 179.46 1jts h ALA 151 N 1.09 0.35 -0.23 0.00 0.00 -1.05 -2.74 119.26 116.69 1jts h ALA 151 Ca 0.18 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jts h ALA 151 Cb 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1jts h ALA 151 CO -0.02 0.05 0.13 1.03 0.00 0.00 0.00 179.25 180.44 1jts h SER 152 N 0.25 0.20 -0.82 0.00 0.87 0.07 -0.37 113.55 113.75 1jts h SER 152 Ca 0.08 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.82 1jts h SER 152 Cb 0.36 -0.04 -0.11 0.00 -0.44 0.00 0.00 62.40 62.17 1jts h SER 152 CO 0.01 0.15 0.31 -0.09 -0.53 0.00 0.00 176.83 176.67 1jts h ARG 153 N 0.27 0.37 -0.07 2.24 2.43 -0.41 -0.11 114.38 119.10 1jts h ARG 153 Ca 0.09 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1jts h ARG 153 Cb 0.00 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1jts h ARG 153 CO -0.05 0.24 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.10 1jts h ASP 154 N 0.38 0.22 -0.88 -3.80 3.45 -1.06 -2.88 116.42 111.84 1jts h ASP 154 Ca 0.48 -0.55 0.11 0.00 0.43 0.00 0.00 57.03 57.51 1jts h ASP 154 Cb 0.85 -0.06 -0.08 0.00 -0.56 0.00 0.00 39.33 39.47 1jts h ASP 154 CO -0.50 0.72 0.51 -0.07 -1.57 0.00 0.00 179.24 178.34 1jts h LEU 155 N -0.28 0.72 -0.82 1.55 -0.00 -0.29 0.13 115.31 116.32 1jts h LEU 155 Ca 0.00 0.06 -0.07 0.00 -0.00 0.00 0.00 57.88 57.87 1jts h LEU 155 Cb 0.68 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 1jts h LEU 155 CO 0.03 0.38 0.06 0.44 -0.00 0.00 0.00 178.44 179.35 1jts h ASP 156 N 0.81 0.90 -0.46 -0.43 3.45 -1.07 0.96 116.42 120.59 1jts h ASP 156 Ca 0.44 -0.21 -0.10 0.00 0.43 0.00 0.00 57.03 57.59 1jts h ASP 156 Cb 0.46 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 1jts h ASP 156 CO -0.28 0.93 -0.10 0.50 -1.57 0.00 0.00 179.24 178.72 1jts h LYS 157 N 0.88 0.87 0.12 3.56 3.64 -1.02 -1.68 116.57 122.95 1jts h LYS 157 Ca 0.18 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1jts h LYS 157 Cb 0.43 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1jts h LYS 157 CO 0.01 0.97 -0.06 0.74 -2.27 0.00 0.00 179.45 178.84 1jts h PHE 158 N 0.71 -0.15 -0.49 1.91 0.05 -0.38 -0.22 116.94 118.38 1jts h PHE 158 Ca 0.12 -0.00 0.10 0.00 3.82 0.00 0.00 57.97 62.00 1jts h PHE 158 Cb 0.64 0.05 -0.09 0.00 2.00 0.00 0.00 35.95 38.54 1jts h PHE 158 CO 0.05 0.04 -0.12 1.25 -0.18 0.00 0.00 178.31 179.35 1jts h LEU 159 N -0.31 -0.45 -0.43 1.54 5.85 -0.79 0.26 115.31 120.98 1jts h LEU 159 Ca -0.02 0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1jts h LEU 159 Cb 0.25 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 1jts h LEU 159 CO 0.03 -0.16 0.08 -0.25 -0.34 0.00 0.00 178.44 177.79 1jts h TRP 160 N 0.00 0.12 -0.49 1.25 7.01 -0.99 0.15 115.95 123.00 1jts h TRP 160 Ca 0.24 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 1jts h TRP 160 Cb 0.36 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 1jts h TRP 160 CO -0.42 -0.01 0.21 0.74 -2.79 0.00 0.00 178.44 176.18 1jts h PHE 161 N 0.20 0.73 0.34 2.65 -1.00 0.75 0.22 116.94 120.84 1jts h PHE 161 Ca 0.21 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.93 1jts h PHE 161 Cb 0.27 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.61 1jts h PHE 161 CO -0.22 0.60 -0.17 0.82 -1.61 0.00 0.00 178.31 177.73 1jts h ILE 162 N 0.65 0.65 -0.30 -0.55 2.04 -0.05 -2.97 117.51 116.98 1jts h ILE 162 Ca 0.16 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.06 1jts h ILE 162 Cb 0.17 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1jts h ILE 162 CO -0.02 0.00 0.07 -0.33 0.00 0.00 0.00 178.15 177.88 1jts h GLU 163 N -0.47 0.18 0.00 2.37 5.08 -0.51 -2.29 114.58 118.95 1jts h GLU 163 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1jts h GLU 163 Cb 0.36 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1jts h GLU 163 CO 0.07 0.12 0.06 0.77 -1.00 0.00 0.00 179.01 179.03 1jts h SER 164 N 0.19 0.00 0.85 1.42 0.02 -0.45 -0.21 113.55 115.36 1jts h SER 164 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1jts h SER 164 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1jts h SER 164 CO -0.17 0.00 -0.90 0.59 -1.14 0.00 0.00 176.83 175.21 1jts n ASN 165 N -2.52 0.75 -4.66 3.07 3.02 -0.86 -4.80 115.26 109.26 1jts n ASN 165 Ca -0.02 0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 54.27 1jts n ASN 165 Cb 0.10 0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 39.68 1jts n ASN 165 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jts s ILE 166 N -3.28 4.22 -2.05 2.41 1.01 -0.09 -5.05 121.20 118.37 1jts s ILE 166 Ca 0.02 1.46 0.32 0.00 0.00 0.00 0.00 60.65 62.45 1jts s ILE 166 Cb 0.12 -3.97 0.87 0.00 0.01 0.00 0.00 42.46 39.48 1jts s ILE 166 CO 0.77 -0.16 2.18 -1.84 0.00 0.00 0.00 174.94 175.89