#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1g s ASN 37 N 0.00 4.97 -0.88 6.12 2.20 -1.26 -5.05 114.94 121.05 2k1g s ASN 37 Ca 0.00 -0.30 -0.25 0.00 -0.94 0.00 0.00 52.86 51.37 2k1g s ASN 37 Cb 0.00 -1.14 -0.03 0.00 -2.00 0.00 0.00 41.25 38.09 2k1g s ASN 37 CO 0.00 0.10 1.84 -0.69 -2.94 0.00 0.00 177.10 175.41 2k1g s VAL 38 N -1.66 3.52 -0.62 3.54 1.01 -1.26 -4.91 120.40 120.02 2k1g s VAL 38 Ca 0.28 -0.33 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 2k1g s VAL 38 Cb -0.10 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 2k1g s VAL 38 CO 0.19 -1.12 2.45 0.47 0.00 0.00 0.00 175.10 177.09 2k1g n ASP 39 N 12.91 1.86 -0.23 3.32 8.00 -1.26 -4.82 116.55 136.33 2k1g n ASP 39 Ca 0.35 -0.61 0.01 0.00 0.71 0.00 0.00 54.79 55.25 2k1g n ASP 39 Cb 0.48 -1.49 0.08 0.00 -0.02 0.00 0.00 41.12 40.17 2k1g n ASP 39 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2k1g h VAL 40 N 7.72 0.33 -0.39 2.53 2.07 -1.90 -1.38 116.25 125.22 2k1g h VAL 40 Ca -0.16 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.41 2k1g h VAL 40 Cb 1.22 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 2k1g h VAL 40 CO 1.17 0.00 0.05 0.50 0.02 0.00 0.00 177.57 179.32 2k1g h LYS 41 N 0.01 0.17 -0.32 1.57 3.64 -1.87 -2.51 116.57 117.26 2k1g h LYS 41 Ca 0.33 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 2k1g h LYS 41 Cb 0.52 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2k1g h LYS 41 CO -0.69 0.11 0.21 0.66 -2.27 0.00 0.00 179.45 177.47 2k1g h SER 42 N 0.17 0.36 -0.38 4.20 4.64 -1.65 -0.79 113.55 120.10 2k1g h SER 42 Ca 0.19 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 2k1g h SER 42 Cb 0.24 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2k1g h SER 42 CO -0.27 0.26 -0.02 0.03 -0.87 0.00 0.00 176.83 175.96 2k1g h ARG 43 N 0.42 0.77 -0.54 4.77 3.08 -1.39 0.96 114.38 122.46 2k1g h ARG 43 Ca 0.12 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 2k1g h ARG 43 Cb -0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 2k1g h ARG 43 CO -0.03 0.79 0.17 0.82 -1.07 0.00 0.00 179.97 180.66 2k1g h ILE 44 N 0.72 1.21 -0.24 2.04 2.04 -1.00 -0.68 117.51 121.60 2k1g h ILE 44 Ca 0.14 -0.72 -0.15 0.00 1.00 0.00 0.00 64.86 65.14 2k1g h ILE 44 Cb 0.46 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2k1g h ILE 44 CO 0.02 0.27 -0.46 0.24 0.00 0.00 0.00 178.15 178.23 2k1g h MET 45 N 0.79 0.61 -0.62 2.37 2.86 -0.42 0.00 114.93 120.52 2k1g h MET 45 Ca 0.18 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 2k1g h MET 45 Cb 0.22 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 2k1g h MET 45 CO -0.01 0.94 0.28 0.22 1.06 0.00 0.00 176.91 179.40 2k1g h ASP 46 N 0.49 0.83 -0.15 1.22 3.58 -0.40 0.74 116.42 122.73 2k1g h ASP 46 Ca 0.03 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 2k1g h ASP 46 Cb 0.99 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2k1g h ASP 46 CO 0.09 0.75 0.05 -0.61 -2.88 0.00 0.00 179.24 176.64 2k1g h GLN 47 N 0.86 0.23 -0.99 0.28 5.75 -1.05 -2.93 115.11 117.26 2k1g h GLN 47 Ca 0.21 -0.05 0.14 0.00 -0.15 0.00 0.00 58.65 58.80 2k1g h GLN 47 Cb 0.16 -0.03 -0.09 0.00 1.07 0.00 0.00 27.48 28.59 2k1g h GLN 47 CO -0.02 0.36 0.62 -0.92 -2.65 0.00 0.00 178.83 176.22 2k1g h TYR 48 N 0.06 1.08 -0.73 3.99 3.20 -0.74 -0.48 116.97 123.36 2k1g h TYR 48 Ca 0.05 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.08 2k1g h TYR 48 Cb 0.22 -0.34 -0.05 0.00 1.54 0.00 0.00 36.73 38.11 2k1g h TYR 48 CO -0.00 0.37 0.48 0.00 -1.64 0.00 0.00 178.16 177.38 2k1g h ALA 49 N 1.58 2.05 0.00 1.82 0.00 -0.66 0.11 119.26 124.15 2k1g h ALA 49 Ca 0.51 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.34 2k1g h ALA 49 Cb 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2k1g h ALA 49 CO -0.29 -0.23 -0.38 0.22 0.00 0.00 0.00 179.25 178.57 2k1g h ASP 50 N 0.45 0.00 -0.16 0.00 3.58 -1.07 -3.28 116.42 115.95 2k1g h ASP 50 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 2k1g h ASP 50 Cb 0.73 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2k1g h ASP 50 CO -0.11 0.38 0.00 0.79 -2.88 0.00 0.00 179.24 177.42 2k1g n TRP 51 N -3.28 0.50 -1.58 0.28 7.02 -0.25 -5.01 117.44 115.11 2k1g n TRP 51 Ca 0.01 -0.86 -0.43 0.00 -1.02 0.00 0.00 57.50 55.21 2k1g n TRP 51 Cb 0.62 -0.21 -0.03 0.00 -2.42 0.00 0.00 31.31 29.27 2k1g n TRP 51 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2k1g n LYS 52 N -0.74 1.79 -0.45 -0.99 5.02 0.22 -2.31 118.16 120.70 2k1g n LYS 52 Ca 0.17 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 2k1g n LYS 52 Cb 0.71 -3.19 0.00 0.00 -0.02 0.00 0.00 35.03 32.53 2k1g n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k1g n GLY 53 N 5.87 0.75 3.71 0.72 0.00 -1.20 -5.03 105.19 110.01 2k1g n GLY 53 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 2k1g n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1g s VAL 54 N -2.49 2.43 0.70 1.61 1.01 -0.98 -4.69 120.40 117.99 2k1g s VAL 54 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 2k1g s VAL 54 Cb 0.00 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.30 2k1g s VAL 54 CO 0.00 0.01 1.09 0.00 0.00 0.00 0.00 175.10 176.20 2k1g s ARG 55 N 1.91 2.68 -0.06 2.72 1.04 -1.26 -1.87 118.95 124.12 2k1g s ARG 55 Ca 0.76 1.22 -0.30 0.00 -1.04 0.00 0.00 55.73 56.38 2k1g s ARG 55 Cb -0.46 -1.95 -0.03 0.00 -2.04 0.00 0.00 34.95 30.47 2k1g s ARG 55 CO 0.33 -1.32 1.12 -0.47 -0.04 0.00 0.00 175.30 174.93 2k1g s TYR 56 N -2.66 3.35 -0.17 5.89 5.04 -1.26 -1.59 117.35 125.95 2k1g s TYR 56 Ca 0.63 1.38 -0.04 0.00 -2.44 0.00 0.00 57.07 56.60 2k1g s TYR 56 Cb -0.18 -3.32 0.06 0.00 0.35 0.00 0.00 41.96 38.87 2k1g s TYR 56 CO 0.48 -0.85 0.07 0.50 -1.34 0.00 0.00 175.55 174.41 2k1g s ARG 57 N 1.97 0.27 -0.05 4.97 3.52 -0.89 -4.74 118.95 124.01 2k1g s ARG 57 Ca 0.53 -0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.65 2k1g s ARG 57 Cb -0.23 -1.89 -0.05 0.00 -1.56 0.00 0.00 34.95 31.22 2k1g s ARG 57 CO 0.22 -0.65 1.57 -0.51 -0.81 0.00 0.00 175.30 175.12 2k1g s LEU 58 N 2.04 4.31 0.00 -0.88 1.43 -1.26 -2.03 118.68 122.29 2k1g s LEU 58 Ca 0.01 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.28 2k1g s LEU 58 Cb -0.16 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2k1g s LEU 58 CO -0.08 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.24 2k1g n GLY 59 N 3.98 0.64 2.88 -3.19 0.00 -1.26 -5.01 105.19 103.23 2k1g n GLY 59 Ca 0.16 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 2k1g n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1g s GLY 60 N -2.19 0.12 -0.33 -0.02 0.00 -1.17 -5.10 107.32 98.62 2k1g s GLY 60 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.72 2k1g s GLY 60 CO 0.00 0.08 0.08 -0.56 0.00 0.00 0.00 173.10 172.70 2k1g s SER 61 N 0.18 4.38 -0.04 1.64 0.01 -1.25 -3.54 113.70 115.10 2k1g s SER 61 Ca -0.01 -1.95 -0.29 0.00 1.31 0.00 0.00 55.95 55.00 2k1g s SER 61 Cb -0.03 -1.26 0.10 0.00 0.21 0.00 0.00 66.02 65.04 2k1g s SER 61 CO -0.01 -0.39 1.31 0.28 0.41 0.00 0.00 173.24 174.85 2k1g s THR 62 N 1.19 0.00 -0.84 1.44 -1.32 -0.73 -5.00 115.64 110.39 2k1g s THR 62 Ca 0.11 -0.14 0.19 0.00 -1.21 0.00 0.00 61.69 60.64 2k1g s THR 62 Cb -0.18 -2.77 0.17 0.00 -1.51 0.00 0.00 72.50 68.21 2k1g s THR 62 CO -0.16 0.00 1.58 0.29 -2.21 0.00 0.00 174.62 174.13 2k1g n LYS 63 N -0.84 0.06 0.05 7.08 4.01 -1.26 -0.72 118.16 126.55 2k1g n LYS 63 Ca 0.02 0.28 0.11 0.00 -0.51 0.00 0.00 58.31 58.21 2k1g n LYS 63 Cb 0.59 -1.62 0.46 0.00 -0.51 0.00 0.00 35.03 33.95 2k1g n LYS 63 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2k1g n LYS 64 N -1.74 0.09 0.00 1.97 4.76 -1.26 -4.85 118.16 117.13 2k1g n LYS 64 Ca 0.03 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 2k1g n LYS 64 Cb 0.21 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 2k1g n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k1g n GLY 65 N 0.69 4.47 3.41 0.72 0.00 0.10 -4.90 105.19 109.69 2k1g n GLY 65 Ca 0.05 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 2k1g n GLY 65 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k1g s ILE 66 N -1.81 0.01 0.68 -0.61 2.07 -0.62 -1.77 121.20 119.15 2k1g s ILE 66 Ca 0.00 -0.11 0.05 0.00 -1.41 0.00 0.00 60.65 59.18 2k1g s ILE 66 Cb 0.00 -0.78 0.12 0.00 0.13 0.00 0.00 42.46 41.93 2k1g s ILE 66 CO 0.00 -0.06 0.93 1.51 -1.91 0.00 0.00 174.94 175.41 2k1g s ASP 67 N -0.46 4.59 0.06 4.50 1.47 -0.86 -2.09 116.67 123.88 2k1g s ASP 67 Ca -0.06 -0.71 -0.33 0.00 1.18 0.00 0.00 52.55 52.63 2k1g s ASP 67 Cb -0.03 0.35 -0.18 0.00 -0.34 0.00 0.00 42.92 42.72 2k1g s ASP 67 CO 0.04 -1.72 1.50 0.00 0.68 0.00 0.00 175.17 175.66 2k1g h SER 69 N -1.13 0.77 -0.55 0.00 0.02 -1.87 -2.11 113.55 108.68 2k1g h SER 69 Ca -0.11 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.75 2k1g h SER 69 Cb 0.89 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 2k1g h SER 69 CO 0.14 0.53 0.02 1.23 -1.14 0.00 0.00 176.83 177.62 2k1g h GLY 70 N 0.89 1.07 0.79 -3.77 0.00 -1.77 -2.68 103.07 97.61 2k1g h GLY 70 Ca 0.28 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 2k1g h GLY 70 CO -0.08 0.69 -0.18 -2.75 0.00 0.00 0.00 176.54 174.22 2k1g h PHE 71 N 0.91 -0.47 -0.84 5.60 3.57 -0.31 -2.21 116.94 123.19 2k1g h PHE 71 Ca 0.17 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.72 2k1g h PHE 71 Cb 0.50 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.34 2k1g h PHE 71 CO 0.03 -0.18 0.52 -0.24 -2.23 0.00 0.00 178.31 176.21 2k1g h VAL 72 N -0.72 1.03 0.07 1.41 3.04 -1.56 -0.33 116.25 119.19 2k1g h VAL 72 Ca -0.05 -0.32 0.01 0.00 -1.01 0.00 0.00 66.70 65.32 2k1g h VAL 72 Cb 0.50 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.75 2k1g h VAL 72 CO 0.09 0.17 -0.39 -0.61 -1.01 0.00 0.00 177.57 175.81 2k1g h GLN 73 N 0.94 -0.52 -0.38 4.17 4.15 -1.43 -2.78 115.11 119.25 2k1g h GLN 73 Ca 0.37 0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.78 2k1g h GLN 73 Cb 0.18 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2k1g h GLN 73 CO -0.18 -0.35 0.04 0.00 -1.93 0.00 0.00 178.83 176.41 2k1g h ARG 74 N -0.54 0.58 0.17 1.69 3.08 -1.03 -2.76 114.38 115.56 2k1g h ARG 74 Ca -0.00 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.94 2k1g h ARG 74 Cb 0.56 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 2k1g h ARG 74 CO -0.22 0.58 -0.26 1.15 -1.07 0.00 0.00 179.97 180.14 2k1g h THR 75 N 0.56 0.43 -0.50 2.04 2.02 -0.92 0.20 112.91 116.75 2k1g h THR 75 Ca 0.12 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.22 2k1g h THR 75 Cb 0.30 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 2k1g h THR 75 CO 0.01 0.00 -0.03 -0.26 0.37 0.00 0.00 175.52 175.60 2k1g h PHE 76 N -0.50 0.93 -0.03 3.16 -1.00 -1.38 -2.18 116.94 115.94 2k1g h PHE 76 Ca 0.02 -0.15 -0.17 0.00 2.81 0.00 0.00 57.97 60.48 2k1g h PHE 76 Cb 0.50 -0.25 0.01 0.00 3.61 0.00 0.00 35.95 39.83 2k1g h PHE 76 CO -0.22 0.86 -0.63 0.07 -1.61 0.00 0.00 178.31 176.79 2k1g h ARG 77 N 0.79 0.48 0.00 1.51 0.11 -1.35 0.38 114.38 116.31 2k1g h ARG 77 Ca 0.14 -0.48 0.00 0.00 0.10 0.00 0.00 59.98 59.75 2k1g h ARG 77 Cb 0.52 0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.73 2k1g h ARG 77 CO 0.03 1.12 0.00 0.93 0.10 0.00 0.00 179.97 182.15 2k1g h GLU 78 N 0.03 0.00 0.00 0.08 4.39 -0.58 -2.02 114.58 116.49 2k1g h GLU 78 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2k1g h GLU 78 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2k1g h GLU 78 CO 0.13 0.00 -0.10 1.04 -1.16 0.00 0.00 179.01 178.91 2k1g n GLN 79 N -2.85 0.05 -0.01 2.33 1.13 -0.82 -4.83 117.38 112.39 2k1g n GLN 79 Ca 0.00 0.02 0.14 0.00 -1.94 0.00 0.00 57.00 55.22 2k1g n GLN 79 Cb 0.25 -0.42 0.48 0.00 0.11 0.00 0.00 30.24 30.66 2k1g n GLN 79 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2k1g n PHE 80 N -2.78 0.02 -3.49 1.08 3.72 0.11 -4.94 117.46 111.19 2k1g n PHE 80 Ca -0.01 -0.01 -0.20 0.00 -0.05 0.00 0.00 57.45 57.17 2k1g n PHE 80 Cb 0.05 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.68 2k1g n PHE 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k1g n GLY 81 N 1.18 -0.43 3.51 1.37 0.00 0.09 -4.91 105.19 106.01 2k1g n GLY 81 Ca 0.18 0.17 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 2k1g n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k1g s LEU 82 N -6.73 3.61 -0.74 0.99 2.96 -1.01 -4.89 118.68 112.87 2k1g s LEU 82 Ca 0.33 -0.11 -0.26 0.00 -0.22 0.00 0.00 54.13 53.87 2k1g s LEU 82 Cb -0.14 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 2k1g s LEU 82 CO 0.71 0.01 1.73 -1.61 -1.32 0.00 0.00 176.35 175.87 2k1g s GLU 83 N 1.34 2.81 -0.10 1.98 8.01 -1.26 -3.55 118.70 127.93 2k1g s GLU 83 Ca 0.05 0.09 0.00 0.00 0.01 0.00 0.00 54.97 55.13 2k1g s GLU 83 Cb -0.15 -4.58 -0.03 0.00 -4.31 0.00 0.00 34.13 25.07 2k1g s GLU 83 CO 0.04 -2.71 -0.09 -0.51 0.01 0.00 0.00 175.26 172.00 2k1g s LEU 84 N 8.28 3.02 0.00 1.80 1.43 -1.26 -5.12 118.68 126.83 2k1g s LEU 84 Ca 0.60 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.43 2k1g s LEU 84 Cb -0.09 -1.67 0.19 0.00 0.03 0.00 0.00 46.19 44.65 2k1g s LEU 84 CO 0.12 0.28 0.58 -0.81 0.23 0.00 0.00 176.35 176.74 2k1g n PRO 85 N 2.79 -2.79 -0.13 1.29 -0.04 -1.26 -4.87 135.00 129.99 2k1g n PRO 85 Ca -0.18 -0.94 0.06 0.00 -0.04 0.00 0.00 63.50 62.41 2k1g n PRO 85 Cb 0.53 -1.00 0.13 0.00 -0.04 0.00 0.00 33.50 33.12 2k1g n PRO 85 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2k1g n ARG 86 N -3.72 2.07 -4.27 0.54 0.63 -1.26 -4.71 116.66 105.94 2k1g n ARG 86 Ca 0.08 -1.81 -0.34 0.00 -0.92 0.00 0.00 57.85 54.86 2k1g n ARG 86 Cb 0.34 -1.29 -0.12 0.00 0.45 0.00 0.00 32.46 31.84 2k1g n ARG 86 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2k1g s SER 87 N -1.03 4.83 0.17 6.15 0.01 -1.26 -4.61 113.70 117.97 2k1g s SER 87 Ca 0.22 -0.15 -0.14 0.00 1.31 0.00 0.00 55.95 57.20 2k1g s SER 87 Cb 0.13 -1.80 0.12 0.00 0.21 0.00 0.00 66.02 64.67 2k1g s SER 87 CO 0.17 0.13 1.77 0.74 0.41 0.00 0.00 173.24 176.46 2k1g h THR 88 N 5.22 0.91 -0.66 1.44 2.02 -1.92 0.09 112.91 120.01 2k1g h THR 88 Ca -0.33 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 66.73 2k1g h THR 88 Cb 1.19 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 2k1g h THR 88 CO 0.62 0.07 0.44 1.88 0.37 0.00 0.00 175.52 178.91 2k1g h TYR 89 N 0.40 0.82 -0.01 3.16 -1.99 -1.96 -0.31 116.97 117.08 2k1g h TYR 89 Ca 0.21 0.02 -0.22 0.00 2.00 0.00 0.00 58.73 60.73 2k1g h TYR 89 Cb 0.16 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.61 2k1g h TYR 89 CO -0.13 0.50 -0.92 0.93 -0.00 0.00 0.00 178.16 178.54 2k1g h GLU 90 N 0.87 0.43 -0.46 4.88 5.08 -1.76 -3.12 114.58 120.51 2k1g h GLU 90 Ca 0.25 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2k1g h GLU 90 Cb -0.06 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2k1g h GLU 90 CO -0.06 1.11 0.13 1.96 -1.00 0.00 0.00 179.01 181.15 2k1g h GLN 91 N 0.25 0.71 0.00 2.33 4.20 -0.43 -2.73 115.11 119.44 2k1g h GLN 91 Ca -0.08 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 2k1g h GLN 91 Cb 1.55 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 29.23 2k1g h GLN 91 CO 0.16 0.69 -0.10 -0.56 -0.67 0.00 0.00 178.83 178.36 2k1g h GLN 92 N 0.60 0.00 0.00 1.46 3.07 -1.13 -1.87 115.11 117.24 2k1g h GLN 92 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.89 2k1g h GLN 92 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.85 2k1g h GLN 92 CO -0.00 0.10 -0.31 0.39 0.09 0.00 0.00 178.83 179.09 2k1g n GLU 93 N -3.97 0.00 -0.11 0.06 1.02 -1.05 -3.61 120.64 112.98 2k1g n GLU 93 Ca -0.02 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.06 2k1g n GLU 93 Cb 0.19 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.22 2k1g n GLU 93 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2k1g h MET 94 N 0.00 0.81 -6.04 3.49 2.86 -1.07 -3.44 114.93 111.53 2k1g h MET 94 Ca 0.00 -0.27 -0.55 0.00 -2.06 0.00 0.00 59.70 56.82 2k1g h MET 94 Cb 0.50 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.02 2k1g h MET 94 CO 0.00 0.88 -0.53 0.20 1.06 0.00 0.00 176.91 178.52 2k1g s GLY 95 N -3.76 2.07 0.49 8.32 0.00 -1.24 -4.82 107.32 108.38 2k1g s GLY 95 Ca -0.10 -1.92 -0.05 0.00 0.00 0.00 0.00 44.72 42.65 2k1g s GLY 95 CO 0.83 -1.81 0.80 0.54 0.00 0.00 0.00 173.10 173.46 2k1g s LYS 96 N -3.86 3.50 0.13 2.90 -0.14 -1.22 -4.74 119.74 116.31 2k1g s LYS 96 Ca 0.39 0.20 -0.30 0.00 -1.36 0.00 0.00 55.97 54.90 2k1g s LYS 96 Cb -0.01 -2.36 -0.06 0.00 -1.68 0.00 0.00 37.83 33.72 2k1g s LYS 96 CO 0.23 -0.25 1.01 0.45 -0.76 0.00 0.00 175.35 176.02 2k1g s SER 97 N -4.12 7.43 0.02 2.83 0.15 -1.26 -2.10 113.70 116.64 2k1g s SER 97 Ca 0.48 1.89 0.05 0.00 0.70 0.00 0.00 55.95 59.07 2k1g s SER 97 Cb -0.10 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.60 2k1g s SER 97 CO 0.45 -0.11 -0.16 0.68 1.20 0.00 0.00 173.24 175.30 2k1g s VAL 98 N -0.08 1.29 0.77 4.45 -7.23 0.14 -4.95 120.40 114.80 2k1g s VAL 98 Ca 0.48 -0.90 -0.05 0.00 -1.81 0.00 0.00 61.98 59.70 2k1g s VAL 98 Cb -0.25 -1.12 0.14 0.00 0.56 0.00 0.00 36.38 35.71 2k1g s VAL 98 CO 0.31 0.20 1.07 -0.55 -0.31 0.00 0.00 175.10 175.82 2k1g s SER 99 N -0.80 4.10 0.55 4.85 0.15 -1.26 -2.41 113.70 118.88 2k1g s SER 99 Ca 0.05 -0.15 0.33 0.00 0.70 0.00 0.00 55.95 56.88 2k1g s SER 99 Cb -0.07 -0.18 1.49 0.00 -1.71 0.00 0.00 66.02 65.55 2k1g s SER 99 CO 0.01 -2.04 1.84 -0.09 1.20 0.00 0.00 173.24 174.15 2k1g h ARG 100 N -0.78 0.00 0.00 5.44 9.65 -1.98 1.00 114.38 127.71 2k1g h ARG 100 Ca -0.39 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.46 2k1g h ARG 100 Cb 1.26 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.84 2k1g h ARG 100 CO 0.41 0.00 -0.54 0.77 2.80 0.00 0.00 179.97 183.41 2k1g h SER 101 N 0.00 0.00 -0.43 -3.80 0.02 -2.05 -3.36 113.55 103.93 2k1g h SER 101 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2k1g h SER 101 Cb 1.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.44 2k1g h SER 101 CO -0.00 0.11 0.00 0.59 -1.14 0.00 0.00 176.83 176.39 2k1g n ASN 102 N -2.95 3.35 -4.64 3.07 4.13 0.33 -5.04 115.26 113.51 2k1g n ASN 102 Ca 0.01 -2.14 -0.36 0.00 1.68 0.00 0.00 54.58 53.77 2k1g n ASN 102 Cb 0.59 -0.33 0.08 0.00 -1.54 0.00 0.00 39.78 38.57 2k1g n ASN 102 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2k1g n LEU 103 N 0.66 4.14 -3.91 3.41 4.77 -1.13 -4.80 117.00 120.14 2k1g n LEU 103 Ca 0.16 0.73 -0.11 0.00 -0.03 0.00 0.00 56.01 56.76 2k1g n LEU 103 Cb 0.54 -1.44 -0.13 0.00 -2.33 0.00 0.00 43.42 40.07 2k1g n LEU 103 CO 0.11 -1.77 -0.35 -0.13 -1.33 0.00 0.00 177.39 173.93 2k1g s ARG 104 N -3.25 0.13 -0.63 3.23 0.52 -1.26 -5.09 118.95 112.61 2k1g s ARG 104 Ca 0.76 -0.21 -0.26 0.00 -0.52 0.00 0.00 55.73 55.50 2k1g s ARG 104 Cb -0.37 0.05 -0.11 0.00 0.52 0.00 0.00 34.95 35.05 2k1g s ARG 104 CO 0.47 -0.02 2.43 2.41 0.02 0.00 0.00 175.30 180.61 2k1g n THR 105 N 2.51 -0.05 0.00 0.02 -1.04 -1.26 -1.56 114.28 112.90 2k1g n THR 105 Ca -0.17 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.18 2k1g n THR 105 Cb 0.58 -2.36 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 2k1g n THR 105 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k1g n GLY 106 N 6.28 1.29 3.94 3.41 0.00 0.52 -4.80 105.19 115.84 2k1g n GLY 106 Ca 0.43 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.20 2k1g n GLY 106 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k1g s ASP 107 N -1.64 5.25 -0.34 1.61 1.47 -0.60 -4.47 116.67 117.95 2k1g s ASP 107 Ca 0.00 0.41 -0.11 0.00 1.18 0.00 0.00 52.55 54.03 2k1g s ASP 107 Cb 0.00 -1.27 0.00 0.00 -0.34 0.00 0.00 42.92 41.31 2k1g s ASP 107 CO 0.00 -1.25 0.20 -0.76 0.68 0.00 0.00 175.17 174.04 2k1g s LEU 108 N -4.99 4.44 -0.24 2.11 1.43 0.42 -1.37 118.68 120.48 2k1g s LEU 108 Ca 0.56 -0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 2k1g s LEU 108 Cb -0.11 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 2k1g s LEU 108 CO 0.43 -0.27 0.39 0.68 0.23 0.00 0.00 176.35 177.81 2k1g s VAL 109 N 1.63 5.18 -0.24 -1.59 -7.23 0.00 0.03 120.40 118.19 2k1g s VAL 109 Ca 0.04 0.65 -0.10 0.00 -1.81 0.00 0.00 61.98 60.76 2k1g s VAL 109 Cb -0.18 -3.72 -0.05 0.00 0.56 0.00 0.00 36.38 33.00 2k1g s VAL 109 CO 0.08 0.20 0.16 -0.76 -0.31 0.00 0.00 175.10 174.46 2k1g s LEU 110 N 1.70 4.07 -0.05 1.32 1.43 0.41 -1.18 118.68 126.38 2k1g s LEU 110 Ca 0.17 0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 2k1g s LEU 110 Cb -0.15 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 2k1g s LEU 110 CO 0.09 0.05 -0.18 -0.36 0.23 0.00 0.00 176.35 176.18 2k1g s PHE 111 N 1.13 2.61 -0.82 0.29 0.08 0.27 -0.82 117.98 120.71 2k1g s PHE 111 Ca 0.07 -0.33 -0.25 0.00 0.12 0.00 0.00 56.93 56.54 2k1g s PHE 111 Cb -0.14 -1.62 -0.00 0.00 -0.57 0.00 0.00 43.02 40.69 2k1g s PHE 111 CO 0.05 0.05 1.67 1.03 -0.10 0.00 0.00 175.22 177.93 2k1g s ARG 112 N -0.53 2.94 0.32 0.44 0.52 0.21 -1.29 118.95 121.55 2k1g s ARG 112 Ca 0.07 -0.24 -0.02 0.00 -0.52 0.00 0.00 55.73 55.02 2k1g s ARG 112 Cb -0.11 -4.78 -0.04 0.00 0.52 0.00 0.00 34.95 30.54 2k1g s ARG 112 CO 0.01 -2.69 0.54 0.00 0.02 0.00 0.00 175.30 173.19 2k1g s ALA 113 N 7.76 3.67 -0.04 2.13 0.00 0.50 -4.87 121.76 130.90 2k1g s ALA 113 Ca 0.57 -0.75 -0.20 0.00 0.00 0.00 0.00 51.96 51.57 2k1g s ALA 113 Cb -0.07 -2.19 -0.32 0.00 0.00 0.00 0.00 23.12 20.54 2k1g s ALA 113 CO 0.06 0.11 0.88 0.78 0.00 0.00 0.00 175.76 177.59 2k1g h GLY 114 N 1.22 0.38 1.05 0.00 0.00 -1.94 -2.19 103.07 101.59 2k1g h GLY 114 Ca -0.49 -0.97 -0.35 0.00 0.00 0.00 0.00 47.33 45.53 2k1g h GLY 114 CO 0.64 0.85 -1.65 1.76 0.00 0.00 0.00 176.54 178.13 2k1g h SER 115 N -0.29 0.68 0.00 0.19 0.02 -2.02 -3.38 113.55 108.76 2k1g h SER 115 Ca -0.17 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 59.87 2k1g h SER 115 Cb 1.73 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.05 2k1g h SER 115 CO 0.16 1.75 -1.01 0.35 -1.14 0.00 0.00 176.83 176.94 2k1g n THR 116 N -3.63 0.00 0.00 -2.27 -2.24 -1.26 -5.01 114.28 99.87 2k1g n THR 116 Ca -0.22 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2k1g n THR 116 Cb 1.09 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 70.23 2k1g n THR 116 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k1g n GLY 117 N 1.45 1.39 3.19 3.38 0.00 -0.82 -4.48 105.19 109.30 2k1g n GLY 117 Ca 0.03 0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 2k1g n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k1g s ARG 118 N 0.00 2.82 -0.16 1.61 1.81 -1.26 -0.37 118.95 123.40 2k1g s ARG 118 Ca 0.00 -2.31 -0.19 0.00 -1.72 0.00 0.00 55.73 51.51 2k1g s ARG 118 Cb 0.00 -3.97 -0.04 0.00 -0.45 0.00 0.00 34.95 30.49 2k1g s ARG 118 CO 0.00 -1.21 0.52 -1.58 -0.68 0.00 0.00 175.30 172.35 2k1g s HIS 119 N 0.38 3.44 -0.13 -0.53 2.46 -0.41 -4.90 115.29 115.61 2k1g s HIS 119 Ca 0.14 0.87 -0.01 0.00 0.47 0.00 0.00 55.06 56.53 2k1g s HIS 119 Cb -0.19 -2.64 -0.02 0.00 -0.13 0.00 0.00 32.58 29.60 2k1g s HIS 119 CO -0.04 0.02 -0.09 0.54 -2.47 0.00 0.00 174.74 172.70 2k1g s VAL 120 N 1.19 3.47 0.24 0.89 0.11 -1.26 -0.57 120.40 124.47 2k1g s VAL 120 Ca 0.26 -0.52 0.09 0.00 -2.93 0.00 0.00 61.98 58.88 2k1g s VAL 120 Cb -0.15 -2.47 -0.05 0.00 -1.53 0.00 0.00 36.38 32.17 2k1g s VAL 120 CO 0.10 0.53 -0.15 -0.83 -3.33 0.00 0.00 175.10 171.42 2k1g s GLY 121 N 0.12 1.62 -0.38 6.54 0.00 -0.32 -4.70 107.32 110.20 2k1g s GLY 121 Ca -0.04 -1.76 -0.16 0.00 0.00 0.00 0.00 44.72 42.76 2k1g s GLY 121 CO 0.04 -1.83 0.39 -0.42 0.00 0.00 0.00 173.10 171.28 2k1g s ILE 122 N -2.84 5.13 -0.33 0.90 1.01 -0.05 -0.81 121.20 124.21 2k1g s ILE 122 Ca 0.26 -0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.47 2k1g s ILE 122 Cb -0.01 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.54 2k1g s ILE 122 CO 0.10 -0.25 1.32 -0.47 0.00 0.00 0.00 174.94 175.64 2k1g s TYR 123 N 2.06 2.63 -1.40 3.97 5.04 -0.47 -1.70 117.35 127.48 2k1g s TYR 123 Ca 0.12 0.82 0.22 0.00 -2.44 0.00 0.00 57.07 55.79 2k1g s TYR 123 Cb -0.17 -4.02 -0.07 0.00 0.35 0.00 0.00 41.96 38.05 2k1g s TYR 123 CO 0.12 -1.75 1.02 0.44 -1.34 0.00 0.00 175.55 174.04 2k1g n ILE 124 N 6.43 0.00 0.00 3.14 -5.35 -0.57 -0.35 119.36 122.66 2k1g n ILE 124 Ca 0.15 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 2k1g n ILE 124 Cb 0.47 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 2k1g n ILE 124 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k1g n GLY 125 N 1.47 2.82 2.54 3.28 0.00 -1.16 -4.83 105.19 109.30 2k1g n GLY 125 Ca 0.06 -2.04 -0.20 0.00 0.00 0.00 0.00 46.02 43.84 2k1g n GLY 125 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k1g n ASN 126 N 0.00 -5.67 -0.33 1.61 3.02 -1.26 -1.00 115.26 111.64 2k1g n ASN 126 Ca 0.00 -0.05 -0.04 0.00 -0.03 0.00 0.00 54.58 54.46 2k1g n ASN 126 Cb 0.00 -4.70 -0.02 0.00 -0.61 0.00 0.00 39.78 34.45 2k1g n ASN 126 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2k1g n ASN 127 N -2.09 -4.83 -4.86 6.41 3.02 -1.26 -4.88 115.26 106.77 2k1g n ASN 127 Ca -0.21 0.11 -0.34 0.00 -0.03 0.00 0.00 54.58 54.11 2k1g n ASN 127 Cb 0.66 -2.70 -0.06 0.00 -0.61 0.00 0.00 39.78 37.08 2k1g n ASN 127 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2k1g s GLN 128 N -1.87 3.33 -0.08 3.52 -0.21 -0.17 -0.46 119.66 123.72 2k1g s GLN 128 Ca 0.00 -0.33 -0.19 0.00 0.02 0.00 0.00 55.36 54.86 2k1g s GLN 128 Cb 0.00 -3.04 0.04 0.00 1.00 0.00 0.00 33.01 31.01 2k1g s GLN 128 CO 0.00 0.69 0.44 -0.59 -2.12 0.00 0.00 175.29 173.71 2k1g s PHE 129 N -1.22 -0.40 -0.12 0.91 -0.71 -0.20 -1.50 117.98 114.73 2k1g s PHE 129 Ca 0.23 0.80 -0.08 0.00 -1.04 0.00 0.00 56.93 56.84 2k1g s PHE 129 Cb -0.12 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 2k1g s PHE 129 CO 0.14 -0.38 0.15 0.54 -1.34 0.00 0.00 175.22 174.33 2k1g s VAL 130 N -0.73 5.48 0.34 -2.49 0.11 -0.69 -0.79 120.40 121.62 2k1g s VAL 130 Ca -0.08 0.24 -0.17 0.00 -2.93 0.00 0.00 61.98 59.04 2k1g s VAL 130 Cb -0.03 -3.42 0.04 0.00 -1.53 0.00 0.00 36.38 31.43 2k1g s VAL 130 CO 0.04 0.60 0.73 -1.38 -3.33 0.00 0.00 175.10 171.75 2k1g s HIS 131 N -0.86 0.08 -0.37 1.54 -3.43 -0.12 -0.87 115.29 111.27 2k1g s HIS 131 Ca 0.15 -0.63 -0.02 0.00 -0.80 0.00 0.00 55.06 53.76 2k1g s HIS 131 Cb -0.12 0.70 0.09 0.00 -1.43 0.00 0.00 32.58 31.82 2k1g s HIS 131 CO 0.04 -1.39 0.12 0.00 -2.00 0.00 0.00 174.74 171.51 2k1g s ALA 132 N -3.04 3.02 0.49 -1.38 0.00 -1.26 -0.87 121.76 118.72 2k1g s ALA 132 Ca 0.15 -2.27 -0.03 0.00 0.00 0.00 0.00 51.96 49.81 2k1g s ALA 132 Cb -0.05 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 2k1g s ALA 132 CO 0.10 -1.61 0.77 0.45 0.00 0.00 0.00 175.76 175.47 2k1g s SER 133 N 1.54 5.96 0.07 0.00 0.15 0.77 -3.94 113.70 118.25 2k1g s SER 133 Ca 0.04 0.66 -0.31 0.00 0.70 0.00 0.00 55.95 57.04 2k1g s SER 133 Cb -0.21 -1.89 -0.15 0.00 -1.71 0.00 0.00 66.02 62.06 2k1g s SER 133 CO -0.03 -0.72 1.48 0.71 1.20 0.00 0.00 173.24 175.87 2k1g h THR 134 N 0.20 0.00 0.05 6.45 1.35 -1.98 -0.56 112.91 118.43 2k1g h THR 134 Ca -0.47 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.04 2k1g h THR 134 Cb 1.23 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.61 2k1g h THR 134 CO 0.60 0.00 -2.09 -1.20 -0.25 0.00 0.00 175.52 172.59 2k1g n SER 135 N -5.06 1.51 0.19 5.36 7.64 -1.26 -4.18 113.62 117.83 2k1g n SER 135 Ca -0.10 0.15 0.03 0.00 1.01 0.00 0.00 58.87 59.96 2k1g n SER 135 Cb 0.40 -0.33 0.39 0.00 -1.01 0.00 0.00 64.21 63.67 2k1g n SER 135 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k1g h SER 136 N 0.03 0.00 0.00 6.43 0.02 -1.98 -3.46 113.55 114.59 2k1g h SER 136 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2k1g h SER 136 Cb 2.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.57 2k1g h SER 136 CO 0.04 0.34 0.00 0.61 -1.14 0.00 0.00 176.83 176.67 2k1g n GLY 137 N -0.52 -0.25 3.56 -3.77 0.00 -0.22 -4.66 105.19 99.34 2k1g n GLY 137 Ca -0.02 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 2k1g n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1g s VAL 138 N 0.00 3.78 0.31 1.61 1.01 -0.78 -0.16 120.40 126.16 2k1g s VAL 138 Ca 0.00 0.57 0.07 0.00 0.00 0.00 0.00 61.98 62.62 2k1g s VAL 138 Cb 0.00 -4.70 -0.03 0.00 0.00 0.00 0.00 36.38 31.65 2k1g s VAL 138 CO 0.00 -1.52 0.26 2.30 0.00 0.00 0.00 175.10 176.13 2k1g n ILE 139 N 6.61 0.00 -4.57 2.22 -0.00 -0.05 -3.23 119.36 120.34 2k1g n ILE 139 Ca 0.08 -2.25 -0.32 0.00 -0.00 0.00 0.00 62.75 60.26 2k1g n ILE 139 Cb 0.49 1.11 -0.11 0.00 -0.00 0.00 0.00 39.64 41.13 2k1g n ILE 139 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2k1g s ILE 140 N -3.24 3.27 0.22 7.28 1.01 -1.26 -0.94 121.20 127.54 2k1g s ILE 140 Ca 0.36 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2k1g s ILE 140 Cb 0.02 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 2k1g s ILE 140 CO 0.26 0.38 0.10 -0.44 0.00 0.00 0.00 174.94 175.24 2k1g s SER 141 N -1.38 0.71 -0.01 3.58 0.01 0.03 -4.97 113.70 111.66 2k1g s SER 141 Ca 0.16 -1.36 0.04 0.00 1.31 0.00 0.00 55.95 56.09 2k1g s SER 141 Cb -0.11 0.26 -0.01 0.00 0.21 0.00 0.00 66.02 66.37 2k1g s SER 141 CO 0.06 -0.77 -0.12 -0.44 0.41 0.00 0.00 173.24 172.38 2k1g s SER 142 N -3.23 1.45 0.00 2.44 0.01 -1.26 -1.03 113.70 112.08 2k1g s SER 142 Ca 0.37 -0.22 0.08 0.00 1.31 0.00 0.00 55.95 57.48 2k1g s SER 142 Cb 0.07 -0.17 0.34 0.00 0.21 0.00 0.00 66.02 66.48 2k1g s SER 142 CO 0.12 0.15 1.24 0.23 0.41 0.00 0.00 173.24 175.39 2k1g n MET 143 N 2.79 0.01 0.00 12.44 2.81 0.39 -2.01 117.12 133.55 2k1g n MET 143 Ca -0.14 0.35 0.13 0.00 -1.81 0.00 0.00 57.70 56.23 2k1g n MET 143 Cb 0.56 -1.50 0.66 0.00 -0.71 0.00 0.00 33.22 32.22 2k1g n MET 143 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2k1g n ASN 144 N -1.48 0.00 -4.69 7.83 3.02 -1.26 -3.41 115.26 115.26 2k1g n ASN 144 Ca 0.02 -0.18 -0.41 0.00 -0.03 0.00 0.00 54.58 53.98 2k1g n ASN 144 Cb 0.09 -0.24 -0.04 0.00 -0.61 0.00 0.00 39.78 38.98 2k1g n ASN 144 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k1g s GLU 145 N -2.49 4.41 0.35 3.52 0.41 -0.85 -4.97 118.70 119.09 2k1g s GLU 145 Ca 0.26 1.11 0.15 0.00 -0.41 0.00 0.00 54.97 56.08 2k1g s GLU 145 Cb 0.17 -3.51 1.04 0.00 -1.78 0.00 0.00 34.13 30.06 2k1g s GLU 145 CO 0.37 -0.15 1.70 -1.35 -0.49 0.00 0.00 175.26 175.35 2k1g h PRO 146 N 7.02 0.40 0.13 0.39 0.11 -1.90 -0.01 132.00 138.14 2k1g h PRO 146 Ca -0.35 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 2k1g h PRO 146 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2k1g h PRO 146 CO 0.80 0.27 -0.06 -0.92 -0.21 0.00 0.00 178.00 177.87 2k1g h TYR 147 N 0.42 -0.16 -0.06 0.65 3.20 -1.93 -2.36 116.97 116.73 2k1g h TYR 147 Ca 0.68 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 62.38 2k1g h TYR 147 Cb 1.55 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.86 2k1g h TYR 147 CO -0.01 -0.09 -0.70 -1.49 -1.64 0.00 0.00 178.16 174.24 2k1g h TRP 148 N -0.19 0.37 -0.46 -3.82 4.06 -1.36 -2.71 115.95 111.83 2k1g h TRP 148 Ca -0.02 -0.16 -0.14 0.00 2.06 0.00 0.00 58.89 60.63 2k1g h TRP 148 Cb 0.15 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.24 2k1g h TRP 148 CO -0.07 0.88 -0.25 -0.22 -3.56 0.00 0.00 178.44 175.22 2k1g h LYS 149 N 0.19 0.98 0.00 0.49 3.64 -1.11 -1.48 116.57 119.28 2k1g h LYS 149 Ca -0.02 -0.44 -0.17 0.00 -1.27 0.00 0.00 60.65 58.75 2k1g h LYS 149 Cb 1.25 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2k1g h LYS 149 CO 0.11 1.11 -0.79 1.57 -2.27 0.00 0.00 179.45 179.18 2k1g h LYS 150 N 0.84 0.00 -0.01 1.90 2.10 -1.45 -3.25 116.57 116.70 2k1g h LYS 150 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 2k1g h LYS 150 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 2k1g h LYS 150 CO 0.07 0.79 -0.27 0.54 -2.00 0.00 0.00 179.45 178.59 2k1g n ARG 151 N -3.32 0.89 -1.60 0.07 5.12 -1.02 -4.88 116.66 111.91 2k1g n ARG 151 Ca 0.01 -0.55 -0.44 0.00 -1.93 0.00 0.00 57.85 54.94 2k1g n ARG 151 Cb 0.85 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.62 2k1g n ARG 151 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2k1g n TYR 152 N -0.57 2.01 -0.11 -1.55 9.36 -0.56 -0.62 117.16 125.11 2k1g n TYR 152 Ca 0.12 -0.12 -0.23 0.00 3.32 0.00 0.00 57.90 60.99 2k1g n TYR 152 Cb 0.36 -2.72 -0.11 0.00 -0.63 0.00 0.00 39.34 36.24 2k1g n TYR 152 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2k1g n ASN 153 N 10.91 1.88 -1.88 2.98 5.15 0.00 -4.93 115.26 129.38 2k1g n ASN 153 Ca 0.29 0.41 0.01 0.00 -0.60 0.00 0.00 54.58 54.70 2k1g n ASN 153 Cb 0.42 -0.93 0.00 0.00 -0.53 0.00 0.00 39.78 38.75 2k1g n ASN 153 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2k1g n GLU 154 N -4.40 0.04 -4.07 1.20 0.28 -1.11 -5.03 120.64 107.54 2k1g n GLU 154 Ca -0.36 -0.22 -0.07 0.00 -0.16 0.00 0.00 57.16 56.36 2k1g n GLU 154 Cb 0.70 0.37 -0.10 0.00 1.43 0.00 0.00 31.44 33.84 2k1g n GLU 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k1g s ALA 155 N -1.31 0.46 -0.18 -1.84 0.00 -1.01 -0.45 121.76 117.44 2k1g s ALA 155 Ca 0.09 -1.17 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 2k1g s ALA 155 Cb -0.00 0.28 0.06 0.00 0.00 0.00 0.00 23.12 23.46 2k1g s ALA 155 CO -0.00 -0.38 0.09 1.03 0.00 0.00 0.00 175.76 176.50 2k1g s ARG 156 N -3.88 0.13 -0.50 0.00 1.81 0.11 -0.68 118.95 115.93 2k1g s ARG 156 Ca 0.07 -0.14 -0.25 0.00 -1.72 0.00 0.00 55.73 53.69 2k1g s ARG 156 Cb 0.08 -1.83 0.03 0.00 -0.45 0.00 0.00 34.95 32.78 2k1g s ARG 156 CO -0.10 -0.68 0.93 -0.98 -0.68 0.00 0.00 175.30 173.79 2k1g s ARG 157 N 2.11 3.44 0.02 3.54 3.03 -0.89 -0.44 118.95 129.75 2k1g s ARG 157 Ca 0.02 -0.03 0.16 0.00 2.03 0.00 0.00 55.73 57.90 2k1g s ARG 157 Cb -0.16 -3.99 -0.17 0.00 -1.03 0.00 0.00 34.95 29.60 2k1g s ARG 157 CO -0.10 -1.35 0.74 1.33 -1.13 0.00 0.00 175.30 174.79 2k1g n VAL 158 N 6.32 1.31 -2.26 4.99 0.24 -1.26 -3.45 118.33 124.22 2k1g n VAL 158 Ca 0.04 -0.73 -0.43 0.00 -2.04 0.00 0.00 64.34 61.18 2k1g n VAL 158 Cb 0.48 -0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 32.01 2k1g n VAL 158 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2k1g s LEU 159 N -5.85 3.54 0.27 1.34 1.43 -1.26 -4.84 118.68 113.32 2k1g s LEU 159 Ca -0.04 0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 53.66 2k1g s LEU 159 Cb 0.08 -3.47 -0.09 0.00 0.03 0.00 0.00 46.19 42.74 2k1g s LEU 159 CO 0.82 -1.55 0.96 -0.55 0.23 0.00 0.00 176.35 176.26 2k1g s SER 160 N 4.59 7.50 -0.76 2.29 0.15 -1.26 -5.00 113.70 121.22 2k1g s SER 160 Ca 0.65 1.94 -0.27 0.00 0.70 0.00 0.00 55.95 58.98 2k1g s SER 160 Cb -0.15 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.59 2k1g s SER 160 CO 0.32 0.05 1.28 -0.60 1.20 0.00 0.00 173.24 175.49 2k1g s ARG 161 N -1.50 3.22 0.00 5.44 6.06 -1.26 -4.81 118.95 126.09 2k1g s ARG 161 Ca 0.45 -0.32 0.22 0.00 -2.50 0.00 0.00 55.73 53.57 2k1g s ARG 161 Cb -0.24 -4.26 -0.06 0.00 0.06 0.00 0.00 34.95 30.44 2k1g s ARG 161 CO 0.30 -2.14 1.04 0.45 -2.50 0.00 0.00 175.30 172.45 2k1g n SER 162 N 9.29 1.68 -4.96 -2.12 2.88 -1.26 -4.97 113.62 114.16 2k1g n SER 162 Ca 0.05 -1.33 -0.20 0.00 -1.33 0.00 0.00 58.87 56.06 2k1g n SER 162 Cb 0.49 0.63 0.05 0.00 -0.75 0.00 0.00 64.21 64.63 2k1g n SER 162 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2k1g s LEU 163 N -2.65 3.28 0.00 2.46 1.02 -1.26 -5.34 118.68 116.19 2k1g s LEU 163 Ca 0.15 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 53.77 2k1g s LEU 163 Cb 0.17 -2.16 0.00 0.00 0.02 0.00 0.00 46.19 44.22 2k1g s LEU 163 CO 0.67 -1.21 0.45 -1.84 0.02 0.00 0.00 176.35 174.43