#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 3.88 0.26 2.23 2.01 0.48 -5.02 118.68 122.52 1jts s LEU 15 Ca 0.00 1.15 -0.29 0.00 0.01 0.00 0.00 54.13 55.00 1jts s LEU 15 Cb 0.00 -4.02 -0.09 0.00 0.01 0.00 0.00 46.19 42.09 1jts s LEU 15 CO 0.00 -0.36 1.19 -0.47 1.01 0.00 0.00 176.35 177.72 1jts s TYR 16 N -2.30 3.38 -0.26 0.29 6.14 -1.26 -4.57 117.35 118.77 1jts s TYR 16 Ca 0.52 1.52 -0.25 0.00 0.64 0.00 0.00 57.07 59.49 1jts s TYR 16 Cb -0.10 -3.45 0.07 0.00 0.42 0.00 0.00 41.96 38.90 1jts s TYR 16 CO 0.29 -1.15 0.72 -0.08 0.64 0.00 0.00 175.55 175.97 1jts s THR 17 N -0.75 0.00 -1.64 4.34 -1.32 -1.26 -5.00 115.64 110.01 1jts s THR 17 Ca 0.49 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 61.07 1jts s THR 17 Cb -0.34 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 69.87 1jts s THR 17 CO 0.42 0.00 1.16 0.54 -2.21 0.00 0.00 174.62 174.53 1jts n ARG 18 N 2.63 0.21 -1.76 7.08 1.74 -1.26 -4.61 116.66 120.68 1jts n ARG 18 Ca -0.14 0.12 -0.43 0.00 -0.77 0.00 0.00 57.85 56.63 1jts n ARG 18 Cb 0.55 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 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 -2.36 5.58 0.00 0.55 3.84 -1.26 -4.83 114.94 116.46 1jts s ASN 19 Ca 0.12 1.61 0.00 0.00 0.21 0.00 0.00 52.86 54.80 1jts s ASN 19 Cb 0.07 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 1jts s ASN 19 CO 0.14 -1.90 1.43 -0.90 -2.79 0.00 0.00 177.10 173.08 1jts n ASP 20 N 11.31 3.91 -4.79 -4.21 5.75 -1.26 -4.86 116.55 122.40 1jts n ASP 20 Ca 0.27 -2.04 -0.39 0.00 -0.01 0.00 0.00 54.79 52.62 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 0.25 4.77 0.01 2.12 1.01 -1.26 -4.98 120.40 122.32 1jts s VAL 21 Ca 0.00 1.28 -0.37 0.00 0.00 0.00 0.00 61.98 62.89 1jts s VAL 21 Cb 0.00 -3.94 -0.16 0.00 0.00 0.00 0.00 36.38 32.28 1jts s VAL 21 CO 0.00 0.50 1.43 -1.54 0.00 0.00 0.00 175.10 175.49 1jts n SER 22 N 2.10 1.83 0.08 3.32 3.41 -1.26 -4.63 113.62 118.47 1jts n SER 22 Ca -0.08 1.11 0.20 0.00 -0.26 0.00 0.00 58.87 59.84 1jts n SER 22 Cb 0.51 -1.19 0.75 0.00 -0.26 0.00 0.00 64.21 64.02 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 5.14 0.00 0.70 4.04 3.32 -1.95 0.88 116.42 128.55 1jts h ASP 23 Ca -0.47 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 1jts h ASP 23 Cb 1.33 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.89 1jts h ASP 23 CO 0.82 0.00 -0.34 -1.28 -1.72 0.00 0.00 179.24 176.72 1jts h SER 24 N 0.00 -0.79 -0.48 6.45 0.87 -2.01 -2.75 113.55 114.83 1jts h SER 24 Ca 0.20 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 1jts h SER 24 Cb 1.07 0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 63.22 1jts h SER 24 CO -0.00 -0.54 0.06 -0.08 -0.53 0.00 0.00 176.83 175.73 1jts h GLU 25 N -0.99 0.81 -0.44 2.24 4.57 -0.79 -2.92 114.58 117.06 1jts h GLU 25 Ca -0.10 -0.23 0.05 0.00 -1.18 0.00 0.00 59.36 57.91 1jts h GLU 25 Cb 0.72 -0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 29.14 1jts h GLU 25 CO 0.16 0.83 -0.56 0.87 -1.18 0.00 0.00 179.01 179.12 1jts h LYS 26 N 0.68 -0.36 -0.78 1.92 1.57 0.52 0.88 116.57 121.00 1jts h LYS 26 Ca 0.14 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.05 1jts h LYS 26 Cb 0.42 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.74 1jts h LYS 26 CO 0.01 -0.24 0.41 0.87 -0.57 0.00 0.00 179.45 179.93 1jts h LYS 27 N -0.38 0.65 0.36 3.15 1.57 -1.48 0.84 116.57 121.28 1jts h LYS 27 Ca 0.08 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1jts h LYS 27 Cb 0.59 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1jts h LYS 27 CO -0.62 0.43 -0.43 0.00 -0.57 0.00 0.00 179.45 178.26 1jts h ALA 28 N 1.47 -0.91 0.03 3.86 0.00 -0.86 -2.22 119.26 120.64 1jts h ALA 28 Ca 0.39 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1jts h ALA 28 Cb 0.43 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1jts h ALA 28 CO -0.28 -1.05 -0.13 1.15 0.00 0.00 0.00 179.25 178.93 1jts h THR 29 N -0.83 0.68 -1.10 0.00 2.02 -0.37 -2.15 112.91 111.17 1jts h THR 29 Ca -0.03 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.45 1jts h THR 29 Cb 0.75 0.68 -0.09 0.00 -1.74 0.00 0.00 68.15 67.75 1jts h THR 29 CO -0.10 0.00 0.72 0.58 0.37 0.00 0.00 175.52 177.09 1jts h VAL 30 N -0.24 0.45 -0.10 3.16 2.07 -0.71 0.34 116.25 121.23 1jts h VAL 30 Ca 0.04 -0.10 -0.21 0.00 0.82 0.00 0.00 66.70 67.25 1jts h VAL 30 Cb 0.28 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1jts h VAL 30 CO -0.11 0.05 -0.75 -0.33 0.02 0.00 0.00 177.57 176.45 1jts h GLU 31 N 0.29 0.69 -0.56 1.57 4.39 -0.79 -2.27 114.58 117.91 1jts h GLU 31 Ca 0.62 -0.61 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1jts h GLU 31 Cb 1.76 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 30.52 1jts h GLU 31 CO -0.27 1.21 0.30 1.25 -1.16 0.00 0.00 179.01 180.35 1jts h LEU 32 N 0.37 0.70 0.28 1.33 5.85 0.09 -2.33 115.31 121.60 1jts h LEU 32 Ca -0.06 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1jts h LEU 32 Cb 1.40 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1jts h LEU 32 CO 0.15 0.59 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.64 1jts h LEU 33 N 0.75 -0.32 -1.99 2.25 3.38 -0.99 -2.89 115.31 115.50 1jts h LEU 33 Ca 0.20 -0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.14 1jts h LEU 33 Cb 0.05 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1jts h LEU 33 CO -0.03 0.04 0.47 0.78 0.09 0.00 0.00 178.44 179.79 1jts h ASN 34 N -0.71 0.00 0.72 -0.43 2.35 -1.36 0.16 115.58 116.30 1jts h ASN 34 Ca -0.04 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1jts h ASN 34 Cb 0.48 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.86 1jts h ASN 34 CO 0.06 0.00 -0.34 -0.09 -1.65 0.00 0.00 177.43 175.41 1jts h ARG 35 N 0.00 -0.93 -0.58 0.81 2.43 -1.26 -2.29 114.38 112.56 1jts h ARG 35 Ca 0.27 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.57 1jts h ARG 35 Cb 1.21 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.91 1jts h ARG 35 CO -0.00 -0.59 0.27 1.96 -1.51 0.00 0.00 179.97 180.10 1jts h GLN 36 N -1.16 0.50 -0.27 0.20 1.08 -0.71 -2.05 115.11 112.69 1jts h GLN 36 Ca -0.10 -0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1jts h GLN 36 Cb 0.76 -0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 28.01 1jts h GLN 36 CO 0.16 0.33 -0.23 0.28 -0.95 0.00 0.00 178.83 178.42 1jts h VAL 37 N 0.51 0.40 -0.52 -0.54 2.07 -0.77 0.55 116.25 117.95 1jts h VAL 37 Ca 0.27 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.85 1jts h VAL 37 Cb 0.24 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 1jts h VAL 37 CO -0.22 0.00 0.22 0.40 0.02 0.00 0.00 177.57 178.00 1jts h ILE 38 N -0.22 0.88 -0.55 4.57 2.04 -1.07 0.21 117.51 123.37 1jts h ILE 38 Ca 0.14 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1jts h ILE 38 Cb 0.45 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1jts h ILE 38 CO -0.40 0.08 0.22 -0.61 0.00 0.00 0.00 178.15 177.44 1jts h GLN 39 N 0.43 0.82 -0.08 2.37 4.15 -0.52 -2.31 115.11 119.97 1jts h GLN 39 Ca 0.24 -0.15 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 1jts h GLN 39 Cb 0.22 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 1jts h GLN 39 CO -0.21 0.72 -0.09 0.74 -1.93 0.00 0.00 178.83 178.05 1jts h PHE 40 N 0.75 0.24 -0.73 3.99 -1.00 0.55 -1.44 116.94 119.30 1jts h PHE 40 Ca 0.18 -0.07 0.13 0.00 2.81 0.00 0.00 57.97 61.02 1jts h PHE 40 Cb 0.20 -0.05 -0.09 0.00 3.61 0.00 0.00 35.95 39.62 1jts h PHE 40 CO 0.01 0.65 0.28 0.82 -1.61 0.00 0.00 178.31 178.45 1jts h ILE 41 N -0.24 0.67 -0.38 -0.55 2.04 -0.58 0.17 117.51 118.63 1jts h ILE 41 Ca 0.01 -0.15 -0.16 0.00 1.00 0.00 0.00 64.86 65.56 1jts h ILE 41 Cb 0.61 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1jts h ILE 41 CO 0.02 0.08 -0.39 -0.78 0.00 0.00 0.00 178.15 177.08 1jts h ASP 42 N 0.42 1.00 -0.65 1.72 3.58 -1.39 -1.68 116.42 119.43 1jts h ASP 42 Ca 0.39 -0.46 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 1jts h ASP 42 Cb 0.58 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 1jts h ASP 42 CO -0.39 1.26 0.28 0.25 -2.88 0.00 0.00 179.24 177.76 1jts h LEU 43 N 0.76 0.89 0.24 2.28 5.85 -0.12 -0.33 115.31 124.88 1jts h LEU 43 Ca 0.06 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1jts h LEU 43 Cb 0.99 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1jts h LEU 43 CO 0.10 0.79 -0.12 0.77 -0.34 0.00 0.00 178.44 179.64 1jts h SER 44 N 0.96 -0.27 -0.87 1.25 4.64 -0.58 -0.62 113.55 118.06 1jts h SER 44 Ca 0.23 -0.18 0.20 0.00 -0.47 0.00 0.00 61.79 61.57 1jts h SER 44 Cb 0.16 0.07 -0.12 0.00 -0.31 0.00 0.00 62.40 62.20 1jts h SER 44 CO -0.02 0.04 0.37 -0.07 -0.87 0.00 0.00 176.83 176.27 1jts h LEU 45 N -0.60 0.31 -0.56 5.97 3.38 -1.00 0.43 115.31 123.24 1jts h LEU 45 Ca -0.03 0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1jts h LEU 45 Cb 0.44 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1jts h LEU 45 CO 0.05 0.02 0.17 0.40 0.09 0.00 0.00 178.44 179.18 1jts h ILE 46 N 0.41 1.24 -1.00 1.22 2.04 -0.84 -2.04 117.51 118.53 1jts h ILE 46 Ca 0.53 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.62 1jts h ILE 46 Cb 0.96 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 1jts h ILE 46 CO -0.51 0.30 0.65 0.74 0.00 0.00 0.00 178.15 179.34 1jts h THR 47 N 0.79 1.16 -0.46 -0.27 2.02 0.68 -0.35 112.91 116.47 1jts h THR 47 Ca 0.18 -0.43 -0.12 0.00 0.77 0.00 0.00 66.41 66.82 1jts h THR 47 Cb 0.28 -0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 1jts h THR 47 CO -0.01 0.23 -0.16 0.11 0.37 0.00 0.00 175.52 176.06 1jts h LYS 48 N 1.25 0.93 -0.20 6.66 1.79 -1.09 0.04 116.57 125.96 1jts h LYS 48 Ca 0.40 -0.38 0.04 0.00 -2.18 0.00 0.00 60.65 58.54 1jts h LYS 48 Cb 0.02 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.59 1jts h LYS 48 CO -0.13 1.04 -0.07 0.37 -1.08 0.00 0.00 179.45 179.57 1jts h GLN 49 N 0.77 -0.04 -0.07 3.15 5.75 -0.52 0.66 115.11 124.81 1jts h GLN 49 Ca 0.11 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1jts h GLN 49 Cb 0.72 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.28 1jts h GLN 49 CO 0.06 -0.03 0.03 0.00 -2.65 0.00 0.00 178.83 176.24 1jts h ALA 50 N 1.15 0.10 -0.54 3.38 0.00 -0.98 -2.59 119.26 119.76 1jts h ALA 50 Ca 0.10 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1jts h ALA 50 Cb 0.19 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.85 1jts h ALA 50 CO -0.22 -0.31 -0.12 1.25 0.00 0.00 0.00 179.25 179.85 1jts h HIS 51 N -0.06 -0.25 -0.51 0.00 -0.00 -0.63 -2.41 115.15 111.29 1jts h HIS 51 Ca 0.02 0.05 -0.12 0.00 -0.00 0.00 0.00 60.37 60.32 1jts h HIS 51 Cb 0.19 0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 1jts h HIS 51 CO -0.01 -0.22 -0.15 -1.49 -0.00 0.00 0.00 177.93 176.06 1jts h TRP 52 N 0.01 1.14 -0.60 5.26 6.55 -0.79 -3.33 115.95 124.19 1jts h TRP 52 Ca 0.26 -0.25 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1jts h TRP 52 Cb 0.40 -0.27 0.00 0.00 -0.86 0.00 0.00 29.16 28.43 1jts h TRP 52 CO -0.44 1.08 0.00 0.09 -1.05 0.00 0.00 178.44 178.12 1jts n ASN 53 N -4.15 5.02 -4.92 -3.49 3.02 -0.95 -4.97 115.26 104.82 1jts n ASN 53 Ca 0.01 -2.61 -0.26 0.00 -0.03 0.00 0.00 54.58 51.69 1jts n ASN 53 Cb 0.42 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 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 -2.18 3.36 -0.01 3.52 0.23 -0.95 -4.52 119.30 118.75 1jts s MET 54 Ca 0.51 -0.07 -0.29 0.00 -1.03 0.00 0.00 55.69 54.81 1jts s MET 54 Cb 0.35 -2.46 0.07 0.00 -1.53 0.00 0.00 34.83 31.26 1jts s MET 54 CO 0.21 -0.21 0.65 1.03 -2.03 0.00 0.00 175.02 174.67 1jts s ARG 55 N -4.65 1.09 0.00 3.16 0.52 -0.76 -4.97 118.95 113.35 1jts s ARG 55 Ca 0.47 0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.78 1jts s ARG 55 Cb -0.10 0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.88 1jts s ARG 55 CO 0.42 -0.37 0.00 0.41 0.02 0.00 0.00 175.30 175.78 1jts n GLY 56 N 0.67 0.47 3.77 -3.53 0.00 -1.26 -1.70 105.19 103.61 1jts n GLY 56 Ca -0.19 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.17 1jts n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jts n ALA 57 N -1.00 2.27 -2.94 4.61 0.00 -1.26 -2.51 120.51 119.68 1jts n ALA 57 Ca 0.00 0.32 -0.21 0.00 0.00 0.00 0.00 53.44 53.56 1jts n ALA 57 Cb 0.00 -2.41 0.01 0.00 0.00 0.00 0.00 19.45 17.05 1jts n ALA 57 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jts n ASN 58 N 0.34 -5.00 0.48 0.00 5.15 -1.26 -4.76 115.26 110.22 1jts n ASN 58 Ca 0.02 -0.19 -0.19 0.00 -0.60 0.00 0.00 54.58 53.62 1jts n ASN 58 Cb 0.39 -4.11 -0.09 0.00 -0.53 0.00 0.00 39.78 35.44 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 -0.84 -1.15 -0.25 1.20 3.04 -1.86 -3.06 116.94 114.02 1jts h PHE 59 Ca -0.45 -0.03 0.06 0.00 3.98 0.00 0.00 57.97 61.53 1jts h PHE 59 Cb 1.32 0.38 -0.06 0.00 2.56 0.00 0.00 35.95 40.14 1jts h PHE 59 CO 0.61 -0.71 -0.15 0.97 -2.02 0.00 0.00 178.31 177.00 1jts h ILE 60 N -1.33 0.56 -0.68 1.41 6.09 -1.91 0.43 117.51 122.07 1jts h ILE 60 Ca -0.13 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.39 1jts h ILE 60 Cb 0.95 0.56 -0.04 0.00 0.47 0.00 0.00 36.82 38.76 1jts h ILE 60 CO 0.21 0.00 0.43 0.00 -3.07 0.00 0.00 178.15 175.72 1jts h ALA 61 N 1.05 0.89 -0.24 0.18 0.00 -1.99 -0.13 119.26 119.02 1jts h ALA 61 Ca 0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1jts h ALA 61 Cb 0.34 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jts h ALA 61 CO -0.33 0.22 -0.29 0.28 0.00 0.00 0.00 179.25 179.12 1jts h VAL 62 N 0.86 1.32 -0.36 0.00 2.07 -1.37 0.18 116.25 118.94 1jts h VAL 62 Ca 0.27 -1.47 0.07 0.00 0.82 0.00 0.00 66.70 66.39 1jts h VAL 62 Cb -0.01 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 1jts h VAL 62 CO -0.10 0.46 -0.07 -0.74 0.02 0.00 0.00 177.57 177.15 1jts h HIS 63 N 0.32 -0.14 -0.15 1.57 6.17 0.25 0.14 115.15 123.31 1jts h HIS 63 Ca 0.03 0.03 -0.17 0.00 0.71 0.00 0.00 60.37 60.97 1jts h HIS 63 Cb 0.86 0.12 0.01 0.00 2.52 0.00 0.00 27.41 30.92 1jts h HIS 63 CO 0.08 -0.13 -0.58 0.93 0.71 0.00 0.00 177.93 178.94 1jts h GLU 64 N 0.02 0.65 -0.59 5.26 5.08 -1.00 -3.13 114.58 120.88 1jts h GLU 64 Ca 0.17 -0.50 0.11 0.00 -1.00 0.00 0.00 59.36 58.14 1jts h GLU 64 Cb 0.26 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 1jts h GLU 64 CO -0.35 1.12 0.14 1.98 -1.00 0.00 0.00 179.01 180.91 1jts h MET 65 N 0.32 0.28 -0.90 2.33 4.05 -0.10 -0.88 114.93 120.02 1jts h MET 65 Ca -0.03 -0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.47 1jts h MET 65 Cb 1.21 -0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 31.87 1jts h MET 65 CO 0.12 0.18 0.54 -0.07 0.23 0.00 0.00 176.91 177.92 1jts h LEU 66 N 0.28 0.80 -1.09 3.39 4.07 -0.75 -1.87 115.31 120.14 1jts h LEU 66 Ca 0.31 0.04 0.02 0.00 0.08 0.00 0.00 57.88 58.33 1jts h LEU 66 Cb 0.44 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 42.01 1jts h LEU 66 CO -0.37 0.45 0.61 -0.78 -1.08 0.00 0.00 178.44 177.27 1jts h ASP 67 N 0.90 1.05 -0.59 -0.43 1.82 -1.11 -1.94 116.42 116.12 1jts h ASP 67 Ca 0.43 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 57.05 1jts h ASP 67 Cb 0.38 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.10 1jts h ASP 67 CO -0.24 0.75 0.35 1.23 -1.61 0.00 0.00 179.24 179.72 1jts h GLY 68 N 1.24 0.86 0.70 -0.78 0.00 -1.10 -2.62 103.07 101.37 1jts h GLY 68 Ca 0.35 -0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.36 1jts h GLY 68 CO -0.08 0.35 0.09 0.74 0.00 0.00 0.00 176.54 177.63 1jts h PHE 69 N 0.80 0.15 -0.61 5.60 0.04 -1.15 -2.00 116.94 119.77 1jts h PHE 69 Ca 0.21 0.02 0.13 0.00 2.80 0.00 0.00 57.97 61.12 1jts h PHE 69 Cb -0.02 -0.02 -0.10 0.00 2.20 0.00 0.00 35.95 38.01 1jts h PHE 69 CO -0.02 0.06 0.03 -0.09 -0.60 0.00 0.00 178.31 177.69 1jts h ARG 70 N 0.21 0.14 -0.39 1.51 2.43 -1.11 0.37 114.38 117.55 1jts h ARG 70 Ca 0.14 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1jts h ARG 70 Cb 0.13 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1jts h ARG 70 CO -0.16 0.09 0.24 1.15 -1.51 0.00 0.00 179.97 179.78 1jts h THR 71 N 0.15 1.07 -0.49 0.20 2.02 -1.05 -0.70 112.91 114.10 1jts h THR 71 Ca 0.32 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 1jts h THR 71 Cb 0.51 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1jts h THR 71 CO -0.50 0.09 0.19 0.00 0.37 0.00 0.00 175.52 175.67 1jts h ALA 72 N 1.16 0.64 0.02 6.16 0.00 -0.43 -2.22 119.26 124.59 1jts h ALA 72 Ca 0.15 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1jts h ALA 72 Cb -0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1jts h ALA 72 CO -0.05 0.27 -0.29 -0.07 0.00 0.00 0.00 179.25 179.11 1jts h LEU 73 N 0.66 -0.85 -1.19 0.00 4.07 0.11 -1.25 115.31 116.87 1jts h LEU 73 Ca 0.16 0.11 0.11 0.00 0.08 0.00 0.00 57.88 58.34 1jts h LEU 73 Cb 0.22 0.34 -0.07 0.00 1.08 0.00 0.00 40.66 42.23 1jts h LEU 73 CO -0.01 -0.36 0.58 0.40 -1.08 0.00 0.00 178.44 177.98 1jts h ILE 74 N -0.44 0.94 0.36 1.22 2.04 -1.01 0.45 117.51 121.07 1jts h ILE 74 Ca 0.06 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1jts h ILE 74 Cb 0.52 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1jts h ILE 74 CO -0.23 0.16 -0.17 0.00 0.00 0.00 0.00 178.15 177.90 1jts h HIS 76 N -0.65 0.46 -0.23 0.00 3.86 -0.90 -0.87 115.15 116.83 1jts h HIS 76 Ca -0.05 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.23 1jts h HIS 76 Cb 0.47 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.71 1jts h HIS 76 CO -0.01 0.28 -0.29 1.25 0.86 0.00 0.00 177.93 180.02 1jts h LEU 77 N 0.49 -0.94 -1.10 2.43 6.46 -0.88 -0.43 115.31 121.35 1jts h LEU 77 Ca 0.14 0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 58.04 1jts h LEU 77 Cb -0.04 0.42 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 1jts h LEU 77 CO -0.04 -0.32 0.38 0.00 -0.62 0.00 0.00 178.44 177.83 1jts h ALA 78 N 0.62 1.31 -0.86 1.25 0.00 -0.65 -1.16 119.26 119.77 1jts h ALA 78 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jts h ALA 78 Cb 0.51 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1jts h ALA 78 CO -0.40 0.55 0.50 1.15 0.00 0.00 0.00 179.25 181.05 1jts h THR 79 N 1.01 1.24 -0.14 0.00 2.02 -0.17 -0.68 112.91 116.20 1jts h THR 79 Ca 0.25 -0.56 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 1jts h THR 79 Cb 0.05 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1jts h THR 79 CO -0.04 0.26 -0.17 0.24 0.37 0.00 0.00 175.52 176.18 1jts h MET 80 N 1.19 0.36 -0.81 6.66 2.86 -0.43 -1.74 114.93 123.02 1jts h MET 80 Ca 0.31 -0.20 0.12 0.00 -2.06 0.00 0.00 59.70 57.86 1jts h MET 80 Cb -0.02 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.57 1jts h MET 80 CO -0.05 0.77 0.43 0.00 1.06 0.00 0.00 176.91 179.11 1jts h ALA 81 N 0.58 1.18 -0.41 6.32 0.00 -0.91 -0.78 119.26 125.24 1jts h ALA 81 Ca 0.02 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1jts h ALA 81 Cb 0.72 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1jts h ALA 81 CO 0.04 -0.02 -0.21 0.93 0.00 0.00 0.00 179.25 179.99 1jts h GLU 82 N 0.67 0.82 -0.42 0.00 5.08 -1.03 -2.05 114.58 117.64 1jts h GLU 82 Ca 0.42 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1jts h GLU 82 Cb 0.49 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1jts h GLU 82 CO -0.30 0.95 0.22 -0.09 -1.00 0.00 0.00 179.01 178.79 1jts h ARG 83 N 0.71 0.60 0.03 2.33 9.65 -0.28 -0.80 114.38 126.63 1jts h ARG 83 Ca 0.10 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 58.93 1jts h ARG 83 Cb 0.73 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.16 1jts h ARG 83 CO 0.06 0.49 -0.20 0.00 2.80 0.00 0.00 179.97 183.12 1jts h ALA 84 N 1.07 -0.28 -0.15 2.80 0.00 -1.05 -2.18 119.26 119.48 1jts h ALA 84 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jts h ALA 84 Cb 0.07 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1jts h ALA 84 CO -0.02 -0.71 0.07 0.28 0.00 0.00 0.00 179.25 178.87 1jts h VAL 85 N -0.34 1.06 0.00 0.00 2.07 -1.09 -1.22 116.25 116.72 1jts h VAL 85 Ca 0.05 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 1jts h VAL 85 Cb 0.40 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1jts h VAL 85 CO -0.16 0.06 -0.46 1.56 0.02 0.00 0.00 177.57 178.59 1jts h GLN 86 N 0.20 0.00 -0.13 1.57 4.20 -0.63 -2.42 115.11 117.91 1jts h GLN 86 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1jts h GLN 86 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1jts h GLN 86 CO -0.01 0.46 0.00 1.28 -0.67 0.00 0.00 178.83 179.89 1jts n LEU 87 N -3.82 1.08 0.00 1.46 4.77 -0.53 -4.88 117.00 115.09 1jts n LEU 87 Ca -0.01 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1jts n LEU 87 Cb 0.51 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1jts n LEU 87 CO 0.39 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1jts n GLY 88 N 0.97 0.46 0.00 -0.72 0.00 -0.91 -4.78 105.19 100.21 1jts n GLY 88 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.00 -0.92 2.89 -0.02 0.00 -0.80 -0.39 105.19 103.96 1jts n GLY 89 Ca 0.00 -1.69 -0.26 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.77 0.94 0.11 1.61 1.01 -1.26 -4.40 120.40 117.64 1jts s VAL 90 Ca 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 1jts s VAL 90 Cb 0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 35.34 1jts s VAL 90 CO 0.00 0.35 1.26 0.00 0.00 0.00 0.00 175.10 176.71 1jts s ALA 91 N 1.67 3.46 -0.29 5.51 0.00 -1.26 -4.96 121.76 125.89 1jts s ALA 91 Ca 0.04 0.96 -0.04 0.00 0.00 0.00 0.00 51.96 52.91 1jts s ALA 91 Cb -0.13 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.55 1jts s ALA 91 CO -0.07 -0.48 0.03 -0.51 0.00 0.00 0.00 175.76 174.73 1jts s LEU 92 N 0.76 3.75 0.00 0.00 1.43 -1.26 -4.94 118.68 118.43 1jts s LEU 92 Ca 0.59 -0.93 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 1jts s LEU 92 Cb -0.32 -1.79 0.10 0.00 0.03 0.00 0.00 46.19 44.21 1jts s LEU 92 CO 0.31 -0.21 1.00 0.61 0.23 0.00 0.00 176.35 178.29 1jts n GLY 93 N 4.76 0.66 3.84 -3.19 0.00 -1.26 -4.48 105.19 105.52 1jts n GLY 93 Ca -0.14 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 4.51 0.20 2.61 -4.23 -1.26 -4.88 115.64 112.60 1jts s THR 94 Ca 0.08 1.13 -0.13 0.00 -1.18 0.00 0.00 61.69 61.60 1jts s THR 94 Cb 0.09 -3.72 0.16 0.00 1.34 0.00 0.00 72.50 70.37 1jts s THR 94 CO -0.04 -0.76 1.67 0.74 -0.54 0.00 0.00 174.62 175.69 1jts h THR 95 N 0.65 0.55 -0.47 3.99 2.02 -1.99 -0.80 112.91 116.86 1jts h THR 95 Ca -0.46 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 66.73 1jts h THR 95 Cb 1.19 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 1jts h THR 95 CO 0.61 0.02 0.20 0.06 0.37 0.00 0.00 175.52 176.78 1jts h GLN 96 N 0.11 0.38 -0.65 6.66 -0.00 -1.98 0.25 115.11 119.87 1jts h GLN 96 Ca 0.28 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.87 1jts h GLN 96 Cb 0.44 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.48 27.80 1jts h GLN 96 CO -0.47 0.25 0.24 0.28 -0.00 0.00 0.00 178.83 179.13 1jts h VAL 97 N 0.39 1.24 -0.43 1.86 2.07 -1.75 -0.15 116.25 119.49 1jts h VAL 97 Ca 0.22 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1jts h VAL 97 Cb 0.18 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1jts h VAL 97 CO -0.19 0.30 0.16 0.40 0.02 0.00 0.00 177.57 178.26 1jts h ILE 98 N 0.92 1.21 0.02 4.57 1.08 -0.55 -1.98 117.51 122.77 1jts h ILE 98 Ca 0.21 -0.65 -0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1jts h ILE 98 Cb 0.24 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 1jts h ILE 98 CO -0.01 0.24 -0.01 -1.13 -0.69 0.00 0.00 178.15 176.54 1jts h ASN 99 N 0.54 -0.02 1.16 1.72 -0.00 -0.18 0.23 115.58 119.03 1jts h ASN 99 Ca 0.14 -0.05 0.00 0.00 -0.00 0.00 0.00 56.30 56.39 1jts h ASN 99 Cb 0.21 0.01 0.00 0.00 -0.00 0.00 0.00 38.32 38.54 1jts h ASN 99 CO -0.01 0.04 0.00 0.77 -0.00 0.00 0.00 177.43 178.23 1jts h SER 100 N -0.08 0.00 0.00 1.15 4.64 -1.02 -3.34 113.55 114.91 1jts h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jts h SER 100 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1jts h SER 100 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1jts n LYS 101 N -2.50 1.19 -2.17 4.77 5.02 -0.75 -5.06 118.16 118.65 1jts n LYS 101 Ca 0.03 -0.90 -0.42 0.00 -2.02 0.00 0.00 58.31 55.00 1jts n LYS 101 Cb 0.34 -0.82 -0.03 0.00 -0.02 0.00 0.00 35.03 34.50 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 -0.46 3.49 -1.93 -0.18 -1.32 0.80 -4.89 115.64 111.16 1jts s THR 102 Ca 0.00 0.98 0.08 0.00 -1.21 0.00 0.00 61.69 61.53 1jts s THR 102 Cb 0.00 -3.63 0.22 0.00 -1.51 0.00 0.00 72.50 67.59 1jts s THR 102 CO 0.00 0.03 1.17 -0.81 -2.21 0.00 0.00 174.62 172.80 1jts n PRO 103 N 4.84 1.62 -4.18 7.08 -0.04 -1.26 -4.84 135.00 138.22 1jts n PRO 103 Ca 0.13 -0.91 -0.35 0.00 -0.04 0.00 0.00 63.50 62.33 1jts n PRO 103 Cb 0.43 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.00 3.67 0.70 1.53 1.43 -1.26 -5.07 118.68 118.69 1jts s LEU 104 Ca 0.17 0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 53.18 1jts s LEU 104 Cb 0.09 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.42 1jts s LEU 104 CO 0.11 0.24 1.11 1.17 0.23 0.00 0.00 176.35 179.22 1jts n LYS 105 N 3.07 0.67 -1.96 1.70 4.81 -1.26 -4.89 118.16 120.30 1jts n LYS 105 Ca -0.17 0.29 -0.40 0.00 -0.87 0.00 0.00 58.31 57.15 1jts n LYS 105 Cb 0.53 -2.36 -0.01 0.00 0.02 0.00 0.00 35.03 33.22 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 -1.61 6.42 0.16 3.14 0.15 -1.26 -4.96 113.70 115.74 1jts s SER 106 Ca 0.77 2.82 -0.29 0.00 0.70 0.00 0.00 55.95 59.95 1jts s SER 106 Cb -0.35 -2.65 -0.07 0.00 -1.71 0.00 0.00 66.02 61.23 1jts s SER 106 CO 0.47 -0.79 0.93 -0.47 1.20 0.00 0.00 173.24 174.57 1jts s TYR 107 N -1.17 3.88 -0.41 3.44 6.14 -1.26 -4.95 117.35 123.02 1jts s TYR 107 Ca 0.53 1.81 -0.30 0.00 0.64 0.00 0.00 57.07 59.76 1jts s TYR 107 Cb -0.42 -2.99 -0.09 0.00 0.42 0.00 0.00 41.96 38.89 1jts s TYR 107 CO 0.56 0.33 2.32 -2.30 0.64 0.00 0.00 175.55 177.10 1jts n PRO 108 N 2.19 1.25 -0.13 4.97 -0.02 -1.26 -4.84 135.00 137.17 1jts n PRO 108 Ca -0.00 0.24 -0.02 0.00 -2.02 0.00 0.00 63.50 61.69 1jts n PRO 108 Cb 0.48 -2.96 0.02 0.00 -0.02 0.00 0.00 33.50 31.02 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 12.56 3.36 0.00 2.45 4.32 -1.26 -3.64 117.00 134.79 1jts n LEU 109 Ca 0.38 -1.70 0.00 0.00 -0.02 0.00 0.00 56.01 54.67 1jts n LEU 109 Cb 0.39 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 1jts n LEU 109 CO 0.73 0.55 0.10 -0.90 -1.22 0.00 0.00 177.39 176.65 1jts n ASP 110 N 0.32 0.00 -4.89 -1.43 5.68 -1.26 -5.11 116.55 109.86 1jts n ASP 110 Ca 0.06 -1.00 -0.29 0.00 -0.50 0.00 0.00 54.79 53.06 1jts n ASP 110 Cb 0.62 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.59 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 4.82 0.12 2.12 -4.36 -1.24 -5.02 121.20 117.64 1jts s ILE 111 Ca 0.00 0.50 0.00 0.00 -0.26 0.00 0.00 60.65 60.89 1jts s ILE 111 Cb 0.00 -3.81 0.00 0.00 1.25 0.00 0.00 42.46 39.90 1jts s ILE 111 CO 0.00 -0.77 0.00 1.41 0.24 0.00 0.00 174.94 175.82 1jts n HIS 112 N -1.96 -0.97 -1.48 1.37 8.25 -1.26 -4.82 115.22 114.35 1jts n HIS 112 Ca 0.02 0.17 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 1jts n HIS 112 Cb 0.54 0.43 0.01 0.00 1.12 0.00 0.00 29.99 32.09 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 -3.02 -0.50 -0.10 0.41 2.85 -1.26 -1.82 115.26 111.83 1jts n ASN 113 Ca 0.00 0.95 -0.06 0.00 -0.11 0.00 0.00 54.58 55.36 1jts n ASN 113 Cb 0.06 -1.15 0.01 0.00 1.24 0.00 0.00 39.78 39.94 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 0.96 0.70 -0.62 3.44 2.07 -1.62 -2.28 116.25 118.90 1jts h VAL 114 Ca -0.40 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.20 1jts h VAL 114 Cb 1.39 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 1jts h VAL 114 CO 0.53 0.01 0.23 1.56 0.02 0.00 0.00 177.57 179.91 1jts h GLN 115 N 0.04 0.39 -0.54 1.57 1.08 -1.88 0.26 115.11 116.03 1jts h GLN 115 Ca 0.17 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.39 1jts h GLN 115 Cb 0.24 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.54 1jts h GLN 115 CO -0.32 0.26 0.27 -0.44 -0.95 0.00 0.00 178.83 177.65 1jts h ASP 116 N 0.41 0.39 -0.38 1.46 3.45 -1.76 -0.42 116.42 119.56 1jts h ASP 116 Ca 0.31 0.03 -0.13 0.00 0.43 0.00 0.00 57.03 57.67 1jts h ASP 116 Cb 0.39 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 1jts h ASP 116 CO -0.31 0.26 -0.24 0.45 -1.57 0.00 0.00 179.24 177.83 1jts h HIS 117 N 0.53 1.02 -0.21 4.55 3.86 -0.92 -0.55 115.15 123.42 1jts h HIS 117 Ca 0.24 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1jts h HIS 117 Cb 0.16 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1jts h HIS 117 CO -0.10 1.04 0.14 -0.07 0.86 0.00 0.00 177.93 179.79 1jts h LEU 118 N 0.77 0.25 -0.21 2.43 4.07 -0.04 0.12 115.31 122.70 1jts h LEU 118 Ca 0.10 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 1jts h LEU 118 Cb 0.80 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 1jts h LEU 118 CO 0.07 0.20 0.13 0.11 -1.08 0.00 0.00 178.44 177.86 1jts h LYS 119 N 0.28 0.28 -0.49 1.13 1.57 -0.92 0.66 116.57 119.08 1jts h LYS 119 Ca 0.08 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1jts h LYS 119 Cb -0.01 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1jts h LYS 119 CO -0.02 0.22 0.29 0.93 -0.57 0.00 0.00 179.45 180.31 1jts h GLU 120 N 0.25 0.66 0.23 3.15 4.39 -0.93 -2.27 114.58 120.06 1jts h GLU 120 Ca 0.07 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1jts h GLU 120 Cb 0.01 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1jts h GLU 120 CO -0.01 0.48 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.14 1jts h LEU 121 N 0.65 -0.26 -0.91 1.33 3.38 -0.51 -2.74 115.31 116.24 1jts h LEU 121 Ca 0.17 -0.13 0.23 0.00 0.09 0.00 0.00 57.88 58.24 1jts h LEU 121 Cb -0.01 0.07 -0.17 0.00 0.09 0.00 0.00 40.66 40.64 1jts h LEU 121 CO -0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 178.44 178.46 1jts h ALA 122 N 0.23 0.97 0.52 1.53 0.00 0.54 0.31 119.26 123.35 1jts h ALA 122 Ca -0.03 0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1jts h ALA 122 Cb 0.37 0.56 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1jts h ALA 122 CO 0.05 -0.49 -0.25 -0.44 0.00 0.00 0.00 179.25 178.12 1jts h ASP 123 N 0.04 -0.59 -0.66 0.00 3.45 -1.28 0.21 116.42 117.59 1jts h ASP 123 Ca 0.52 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.94 1jts h ASP 123 Cb 0.99 0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 39.88 1jts h ASP 123 CO -0.85 -0.35 0.34 0.03 -1.57 0.00 0.00 179.24 176.83 1jts h ARG 124 N -0.79 0.96 -0.44 3.56 2.47 -0.83 -0.56 114.38 118.75 1jts h ARG 124 Ca -0.07 -0.12 -0.04 0.00 -1.26 0.00 0.00 59.98 58.49 1jts h ARG 124 Cb 0.57 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 1jts h ARG 124 CO 0.12 0.73 0.12 1.88 0.56 0.00 0.00 179.97 183.38 1jts h TYR 125 N 0.96 0.73 -0.48 3.04 -1.99 -0.38 -2.37 116.97 116.48 1jts h TYR 125 Ca 0.24 -0.08 0.07 0.00 2.00 0.00 0.00 58.73 60.96 1jts h TYR 125 Cb 0.08 -0.21 -0.06 0.00 2.00 0.00 0.00 36.73 38.54 1jts h TYR 125 CO 0.01 0.67 0.15 0.00 -0.00 0.00 0.00 178.16 178.98 1jts h ALA 126 N 0.98 0.56 0.01 3.88 0.00 -0.04 1.31 119.26 125.97 1jts h ALA 126 Ca 0.14 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1jts h ALA 126 Cb 0.30 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1jts h ALA 126 CO -0.00 -0.25 -0.22 0.82 0.00 0.00 0.00 179.25 179.60 1jts h ILE 127 N 0.30 0.50 -0.27 0.00 5.03 -0.91 0.60 117.51 122.76 1jts h ILE 127 Ca 0.23 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.93 1jts h ILE 127 Cb 0.26 0.50 -0.01 0.00 -3.03 0.00 0.00 36.82 34.54 1jts h ILE 127 CO -0.26 0.00 -0.00 0.58 -0.68 0.00 0.00 178.15 177.79 1jts h VAL 128 N -0.35 1.26 0.04 1.67 2.07 -0.87 -1.25 116.25 118.83 1jts h VAL 128 Ca 0.06 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1jts h VAL 128 Cb 0.42 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1jts h VAL 128 CO -0.19 0.29 -0.11 0.00 0.02 0.00 0.00 177.57 177.58 1jts h ALA 129 N 0.82 -0.16 -0.50 1.67 0.00 0.19 0.06 119.26 121.33 1jts h ALA 129 Ca 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1jts h ALA 129 Cb 0.43 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1jts h ALA 129 CO 0.01 -0.62 0.18 -0.91 0.00 0.00 0.00 179.25 177.92 1jts h ASN 130 N -0.21 0.71 0.46 0.00 2.35 -0.91 -1.66 115.58 116.31 1jts h ASN 130 Ca 0.03 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 1jts h ASN 130 Cb 0.24 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1jts h ASN 130 CO -0.08 0.70 -0.22 -0.78 -1.65 0.00 0.00 177.43 175.40 1jts h ASP 131 N 0.67 -0.52 -0.42 5.81 -0.00 -1.02 -2.69 116.42 118.25 1jts h ASP 131 Ca 0.17 -0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.16 1jts h ASP 131 Cb 0.23 0.13 -0.02 0.00 -0.00 0.00 0.00 39.33 39.67 1jts h ASP 131 CO -0.01 -0.29 0.27 1.62 -0.00 0.00 0.00 179.24 180.83 1jts h VAL 132 N -0.72 1.12 -0.61 2.25 3.04 -1.01 -0.64 116.25 119.67 1jts h VAL 132 Ca -0.06 -0.24 0.02 0.00 -1.01 0.00 0.00 66.70 65.40 1jts h VAL 132 Cb 0.52 0.50 -0.03 0.00 -2.01 0.00 0.00 31.29 30.27 1jts h VAL 132 CO 0.10 0.12 0.41 -0.09 -1.01 0.00 0.00 177.57 177.10 1jts h ARG 133 N 0.59 0.76 -0.03 4.17 2.43 -1.12 -2.36 114.38 118.83 1jts h ARG 133 Ca 0.16 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 1jts h ARG 133 Cb -0.04 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1jts h ARG 133 CO -0.03 0.51 -0.42 0.87 -1.51 0.00 0.00 179.97 179.39 1jts h LYS 134 N 0.79 0.33 -1.18 0.20 1.57 -0.89 -3.20 116.57 114.18 1jts h LYS 134 Ca 0.23 -0.32 0.34 0.00 -1.87 0.00 0.00 60.65 59.03 1jts h LYS 134 Cb -0.02 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 1jts h LYS 134 CO -0.06 0.99 0.84 0.00 -0.57 0.00 0.00 179.45 180.66 1jts h ALA 135 N 0.35 3.01 -0.65 3.86 0.00 -0.65 0.15 119.26 125.32 1jts h ALA 135 Ca -0.04 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.93 1jts h ALA 135 Cb 1.12 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1jts h ALA 135 CO 0.08 -1.37 0.30 0.82 0.00 0.00 0.00 179.25 179.09 1jts h ILE 136 N 0.06 0.84 -0.06 0.00 2.04 -1.48 -1.52 117.51 117.39 1jts h ILE 136 Ca 0.58 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 66.24 1jts h ILE 136 Cb 2.20 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1jts h ILE 136 CO -0.06 0.10 -0.02 1.23 0.00 0.00 0.00 178.15 179.40 1jts h GLY 137 N 0.53 0.14 0.49 5.37 0.00 -0.89 -3.04 103.07 105.67 1jts h GLY 137 Ca 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1jts h GLY 137 CO -0.26 0.11 0.00 -1.84 0.00 0.00 0.00 176.54 174.54 1jts n GLU 138 N -4.81 0.71 -3.11 4.80 0.28 -1.04 -4.64 120.64 112.83 1jts n GLU 138 Ca -0.07 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.51 1jts n GLU 138 Cb 0.23 -1.24 -0.07 0.00 1.43 0.00 0.00 31.44 31.79 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 3.41 0.08 -1.84 0.00 -0.60 -4.94 121.76 115.87 1jts s ALA 139 Ca 0.17 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1jts s ALA 139 Cb 0.08 -3.22 -0.25 0.00 0.00 0.00 0.00 23.12 19.72 1jts s ALA 139 CO 0.13 -1.52 1.14 0.87 0.00 0.00 0.00 175.76 176.38 1jts h LYS 140 N 8.63 0.15 -6.26 0.00 6.56 -1.87 -3.44 116.57 120.34 1jts h LYS 140 Ca -0.26 -0.25 -0.57 0.00 -1.06 0.00 0.00 60.65 58.51 1jts h LYS 140 Cb 1.10 0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 32.82 1jts h LYS 140 CO 0.86 1.09 0.98 0.34 -2.06 0.00 0.00 179.45 180.66 1jts s ASP 141 N -6.90 6.72 0.17 0.86 3.68 -1.26 -4.93 116.67 115.01 1jts s ASP 141 Ca -0.03 1.55 -0.22 0.00 2.13 0.00 0.00 52.55 55.98 1jts s ASP 141 Cb 0.08 -2.54 0.07 0.00 -1.45 0.00 0.00 42.92 39.08 1jts s ASP 141 CO 0.85 -0.98 1.60 0.44 0.13 0.00 0.00 175.17 177.21 1jts h ASP 142 N 9.16 -1.05 -0.25 -0.34 3.32 -2.00 0.39 116.42 125.66 1jts h ASP 142 Ca -0.29 0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.01 1jts h ASP 142 Cb 1.12 0.50 -0.06 0.00 0.22 0.00 0.00 39.33 41.10 1jts h ASP 142 CO 1.00 -0.31 -0.14 0.44 -1.72 0.00 0.00 179.24 178.51 1jts h ASP 143 N -0.24 -0.46 -0.40 6.45 3.45 -1.98 -0.89 116.42 122.35 1jts h ASP 143 Ca 0.18 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.75 1jts h ASP 143 Cb 0.53 0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.53 1jts h ASP 143 CO -0.54 -0.18 0.26 0.74 -1.57 0.00 0.00 179.24 177.95 1jts h THR 144 N -0.12 1.11 -0.45 0.35 2.02 -1.74 -0.74 112.91 113.34 1jts h THR 144 Ca 0.13 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 1jts h THR 144 Cb 0.32 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1jts h THR 144 CO -0.32 0.11 0.04 0.00 0.37 0.00 0.00 175.52 175.71 1jts h ALA 145 N 1.74 0.60 -0.35 6.16 0.00 0.25 -2.26 119.26 125.40 1jts h ALA 145 Ca 0.15 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jts h ALA 145 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1jts h ALA 145 CO -0.03 0.36 0.21 0.22 0.00 0.00 0.00 179.25 180.01 1jts h ASP 146 N 0.62 0.42 -0.58 0.00 1.82 -0.30 -0.74 116.42 117.65 1jts h ASP 146 Ca 0.13 -0.06 0.09 0.00 -0.39 0.00 0.00 57.03 56.81 1jts h ASP 146 Cb 0.44 -0.11 -0.07 0.00 0.68 0.00 0.00 39.33 40.27 1jts h ASP 146 CO 0.02 0.35 0.19 0.40 -1.61 0.00 0.00 179.24 178.58 1jts h ILE 147 N 0.45 0.74 -0.32 2.25 2.04 -1.02 -1.58 117.51 120.08 1jts h ILE 147 Ca 0.13 -0.12 -0.10 0.00 1.00 0.00 0.00 64.86 65.77 1jts h ILE 147 Cb 0.01 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1jts h ILE 147 CO -0.02 0.06 -0.20 -0.07 0.00 0.00 0.00 178.15 177.92 1jts h LEU 148 N 0.35 0.60 -0.59 1.44 3.38 -0.85 -2.13 115.31 117.51 1jts h LEU 148 Ca 0.29 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1jts h LEU 148 Cb 0.38 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1jts h LEU 148 CO -0.32 0.81 0.23 0.74 0.09 0.00 0.00 178.44 179.99 1jts h THR 149 N 0.54 1.23 -0.43 0.22 2.02 -0.51 0.36 112.91 116.34 1jts h THR 149 Ca 0.08 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 1jts h THR 149 Cb 0.65 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1jts h THR 149 CO 0.05 0.27 0.20 0.00 0.37 0.00 0.00 175.52 176.41 1jts h ALA 150 N 1.08 0.56 -0.38 6.16 0.00 -1.08 0.22 119.26 125.81 1jts h ALA 150 Ca 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1jts h ALA 150 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1jts h ALA 150 CO -0.02 0.13 0.05 0.00 0.00 0.00 0.00 179.25 179.41 1jts h ALA 151 N 1.05 0.51 -0.24 0.00 0.00 -1.04 -2.81 119.26 116.73 1jts h ALA 151 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jts h ALA 151 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1jts h ALA 151 CO -0.02 0.23 0.15 1.03 0.00 0.00 0.00 179.25 180.64 1jts h SER 152 N 0.48 0.28 -0.85 0.00 0.87 -0.06 0.14 113.55 114.41 1jts h SER 152 Ca 0.11 -0.03 0.20 0.00 -1.23 0.00 0.00 61.79 60.84 1jts h SER 152 Cb 0.39 -0.07 -0.12 0.00 -0.44 0.00 0.00 62.40 62.16 1jts h SER 152 CO 0.01 0.23 0.33 -0.09 -0.53 0.00 0.00 176.83 176.77 1jts h ARG 153 N 0.31 0.36 -0.05 2.24 2.43 -0.44 0.93 114.38 120.15 1jts h ARG 153 Ca 0.09 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1jts h ARG 153 Cb -0.01 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1jts h ARG 153 CO -0.02 0.24 -0.24 -0.44 -1.51 0.00 0.00 179.97 178.00 1jts h ASP 154 N 0.37 0.30 -0.67 -3.80 3.45 -1.14 -2.88 116.42 112.04 1jts h ASP 154 Ca 0.51 -0.65 0.09 0.00 0.43 0.00 0.00 57.03 57.41 1jts h ASP 154 Cb 0.93 -0.09 -0.07 0.00 -0.56 0.00 0.00 39.33 39.54 1jts h ASP 154 CO -0.52 0.91 0.31 -0.07 -1.57 0.00 0.00 179.24 178.29 1jts h LEU 155 N -0.29 0.37 -0.84 1.55 -0.00 -0.18 0.19 115.31 116.12 1jts h LEU 155 Ca -0.02 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1jts h LEU 155 Cb 0.90 0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.53 1jts h LEU 155 CO 0.05 0.21 0.45 0.44 -0.00 0.00 0.00 178.44 179.59 1jts h ASP 156 N 0.53 1.06 -0.48 -0.43 3.45 -0.89 0.43 116.42 120.10 1jts h ASP 156 Ca 0.33 -0.11 -0.04 0.00 0.43 0.00 0.00 57.03 57.65 1jts h ASP 156 Cb 0.37 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.85 1jts h ASP 156 CO -0.28 0.87 0.14 0.50 -1.57 0.00 0.00 179.24 178.90 1jts h LYS 157 N 1.18 0.75 0.25 3.56 3.64 -0.99 -1.50 116.57 123.46 1jts h LYS 157 Ca 0.30 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1jts h LYS 157 Cb 0.05 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1jts h LYS 157 CO -0.05 0.71 -0.12 0.74 -2.27 0.00 0.00 179.45 178.46 1jts h PHE 158 N 0.64 -0.31 -0.47 1.91 0.05 -0.16 0.78 116.94 119.37 1jts h PHE 158 Ca 0.15 -0.01 0.09 0.00 3.82 0.00 0.00 57.97 62.03 1jts h PHE 158 Cb 0.28 0.10 -0.09 0.00 2.00 0.00 0.00 35.95 38.24 1jts h PHE 158 CO 0.01 -0.16 -0.13 1.25 -0.18 0.00 0.00 178.31 179.10 1jts h LEU 159 N -0.39 -0.48 -0.57 1.54 5.85 -0.87 0.40 115.31 120.80 1jts h LEU 159 Ca -0.03 0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.92 1jts h LEU 159 Cb 0.29 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 41.56 1jts h LEU 159 CO 0.06 -0.17 0.19 -0.25 -0.34 0.00 0.00 178.44 177.93 1jts h TRP 160 N -0.02 0.33 -0.38 1.25 7.01 -0.90 0.14 115.95 123.38 1jts h TRP 160 Ca 0.23 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 1jts h TRP 160 Cb 0.36 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.35 1jts h TRP 160 CO -0.42 0.07 0.10 0.74 -2.79 0.00 0.00 178.44 176.15 1jts h PHE 161 N 0.36 0.63 0.45 2.65 -1.00 0.17 0.17 116.94 120.37 1jts h PHE 161 Ca 0.28 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.98 1jts h PHE 161 Cb 0.35 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 1jts h PHE 161 CO -0.18 0.61 -0.28 0.82 -1.61 0.00 0.00 178.31 177.67 1jts h ILE 162 N 0.47 0.43 -0.23 -0.55 2.04 0.19 -2.98 117.51 116.89 1jts h ILE 162 Ca 0.12 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 1jts h ILE 162 Cb 0.29 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 1jts h ILE 162 CO -0.00 0.00 -0.09 -0.33 0.00 0.00 0.00 178.15 177.73 1jts h GLU 163 N -0.69 -0.05 0.00 2.37 5.08 -0.59 -1.60 114.58 119.09 1jts h GLU 163 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1jts h GLU 163 Cb 0.57 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1jts h GLU 163 CO 0.05 -0.04 0.13 0.77 -1.00 0.00 0.00 179.01 178.92 1jts h SER 164 N -0.06 0.00 0.49 1.42 0.02 -0.58 0.80 113.55 115.65 1jts h SER 164 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1jts h SER 164 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1jts h SER 164 CO -0.27 0.00 -0.93 0.59 -1.14 0.00 0.00 176.83 175.09 1jts n ASN 165 N -2.22 0.63 -4.66 3.07 3.02 -0.61 -4.81 115.26 109.68 1jts n ASN 165 Ca -0.01 -0.18 -0.43 0.00 -0.03 0.00 0.00 54.58 53.93 1jts n ASN 165 Cb 0.16 0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 39.97 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 -3.17 4.40 -2.08 2.41 1.01 0.27 -5.02 121.20 119.02 1jts s ILE 166 Ca 0.05 1.68 0.31 0.00 0.00 0.00 0.00 60.65 62.69 1jts s ILE 166 Cb 0.14 -4.11 0.85 0.00 0.01 0.00 0.00 42.46 39.36 1jts s ILE 166 CO 0.78 -0.18 2.15 -1.84 0.00 0.00 0.00 174.94 175.86