#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 4.79 -1.16 6.12 -0.87 -1.26 -4.88 114.94 117.67 2k1g s ASN 37 Ca 0.00 -0.58 -0.22 0.00 -1.57 0.00 0.00 52.86 50.49 2k1g s ASN 37 Cb 0.00 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.63 2k1g s ASN 37 CO 0.00 -3.10 1.86 -0.69 -2.57 0.00 0.00 177.10 172.60 2k1g s VAL 38 N 11.47 3.69 0.04 1.60 1.01 -1.26 -4.95 120.40 131.99 2k1g s VAL 38 Ca 0.76 -1.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 2k1g s VAL 38 Cb -0.08 -4.67 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 2k1g s VAL 38 CO 0.03 -1.28 0.90 -0.62 0.00 0.00 0.00 175.10 174.12 2k1g s ASP 39 N 6.10 7.33 0.07 3.32 2.15 -1.26 -5.00 116.67 129.38 2k1g s ASP 39 Ca 0.64 1.61 -0.29 0.00 0.43 0.00 0.00 52.55 54.94 2k1g s ASP 39 Cb -0.00 -2.54 -0.14 0.00 -0.30 0.00 0.00 42.92 39.94 2k1g s ASP 39 CO 0.09 -0.13 1.45 0.58 -0.17 0.00 0.00 175.17 176.99 2k1g h VAL 40 N 4.42 0.00 -0.61 1.11 2.07 -1.94 -0.11 116.25 121.20 2k1g h VAL 40 Ca -0.42 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.19 2k1g h VAL 40 Cb 1.21 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 2k1g h VAL 40 CO 0.73 0.00 0.21 0.50 0.02 0.00 0.00 177.57 179.04 2k1g h LYS 41 N -0.82 0.37 -0.72 1.57 3.64 -1.91 -1.08 116.57 117.63 2k1g h LYS 41 Ca -0.05 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2k1g h LYS 41 Cb 0.71 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2k1g h LYS 41 CO -0.04 0.25 0.23 0.77 -2.27 0.00 0.00 179.45 178.38 2k1g h SER 42 N 0.39 1.02 -0.00 4.20 0.02 -1.92 -1.77 113.55 115.49 2k1g h SER 42 Ca 0.31 -0.18 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 2k1g h SER 42 Cb 0.39 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2k1g h SER 42 CO -0.32 0.95 -0.42 0.03 -1.14 0.00 0.00 176.83 175.93 2k1g h ARG 43 N 1.06 0.53 -0.42 3.45 -0.00 -0.25 0.44 114.38 119.19 2k1g h ARG 43 Ca 0.23 -0.27 -0.04 0.00 -0.50 0.00 0.00 59.98 59.40 2k1g h ARG 43 Cb 0.29 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.25 2k1g h ARG 43 CO -0.01 0.85 0.10 0.82 0.00 0.00 0.00 179.97 181.73 2k1g h ILE 44 N 0.43 1.23 -0.42 2.04 2.04 -0.94 -1.45 117.51 120.43 2k1g h ILE 44 Ca 0.03 -0.80 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 2k1g h ILE 44 Cb 0.92 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 2k1g h ILE 44 CO 0.08 0.28 0.03 0.24 0.00 0.00 0.00 178.15 178.78 2k1g h MET 45 N 0.54 0.66 -0.73 2.37 2.86 -1.24 -0.85 114.93 118.54 2k1g h MET 45 Ca 0.13 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 2k1g h MET 45 Cb 0.32 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 2k1g h MET 45 CO 0.00 0.66 0.48 0.22 1.06 0.00 0.00 176.91 179.34 2k1g h ASP 46 N 0.63 0.76 0.00 1.22 3.58 -0.50 -0.61 116.42 121.51 2k1g h ASP 46 Ca 0.13 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.42 2k1g h ASP 46 Cb 0.35 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 41.24 2k1g h ASP 46 CO 0.01 0.52 -0.60 -0.61 -2.88 0.00 0.00 179.24 175.67 2k1g h GLN 47 N 0.88 0.40 -0.96 0.28 5.75 -0.81 -3.29 115.11 117.36 2k1g h GLN 47 Ca 0.29 -0.44 0.10 0.00 -0.15 0.00 0.00 58.65 58.46 2k1g h GLN 47 Cb 0.07 0.13 -0.08 0.00 1.07 0.00 0.00 27.48 28.67 2k1g h GLN 47 CO -0.09 1.11 0.60 -0.92 -2.65 0.00 0.00 178.83 176.88 2k1g h TYR 48 N -0.12 1.09 0.00 3.99 3.20 -0.83 0.43 116.97 124.73 2k1g h TYR 48 Ca -0.08 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 2k1g h TYR 48 Cb 1.32 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 2k1g h TYR 48 CO 0.15 0.47 -0.02 0.00 -1.64 0.00 0.00 178.16 177.12 2k1g h ALA 49 N 1.50 1.12 0.15 1.82 0.00 -1.20 0.20 119.26 122.85 2k1g h ALA 49 Ca 0.46 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 55.07 2k1g h ALA 49 Cb 0.38 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k1g h ALA 49 CO -0.24 0.02 -1.40 0.22 0.00 0.00 0.00 179.25 177.85 2k1g h ASP 50 N 0.00 0.48 0.00 0.00 3.58 -1.00 -3.40 116.42 116.09 2k1g h ASP 50 Ca -0.00 -0.89 -0.06 0.00 0.42 0.00 0.00 57.03 56.50 2k1g h ASP 50 Cb 0.14 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2k1g h ASP 50 CO 0.00 1.63 -0.31 -0.50 -2.88 0.00 0.00 179.24 177.19 2k1g h TRP 51 N -0.19 0.00 -6.06 0.28 4.06 -1.17 -3.50 115.95 109.37 2k1g h TRP 51 Ca -0.29 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.54 2k1g h TRP 51 Cb 1.85 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 30.01 2k1g h TRP 51 CO 0.13 1.08 -1.00 1.63 -3.56 0.00 0.00 178.44 176.72 2k1g n LYS 52 N -4.57 -1.68 -3.30 0.49 4.76 0.69 -3.81 118.16 110.74 2k1g n LYS 52 Ca -0.15 1.53 -0.21 0.00 -2.87 0.00 0.00 58.31 56.61 2k1g n LYS 52 Cb 0.51 -2.78 0.06 0.00 -1.84 0.00 0.00 35.03 30.98 2k1g n LYS 52 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k1g n GLY 53 N 0.47 -0.39 3.72 0.72 0.00 -0.13 -4.91 105.19 104.67 2k1g n GLY 53 Ca -0.01 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.23 3.19 0.75 1.61 1.01 -1.25 -4.37 120.40 118.12 2k1g s VAL 54 Ca 0.44 0.89 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 2k1g s VAL 54 Cb -0.19 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.67 2k1g s VAL 54 CO 0.55 0.09 1.18 0.00 0.00 0.00 0.00 175.10 176.92 2k1g s ARG 55 N 0.73 2.05 -0.07 2.72 1.70 -1.26 -1.78 118.95 123.05 2k1g s ARG 55 Ca 0.63 1.66 -0.30 0.00 -0.47 0.00 0.00 55.73 57.25 2k1g s ARG 55 Cb -0.38 -1.83 -0.05 0.00 -0.57 0.00 0.00 34.95 32.12 2k1g s ARG 55 CO 0.33 -1.88 1.61 -0.47 -1.08 0.00 0.00 175.30 173.81 2k1g s TYR 56 N -2.17 2.07 -0.05 5.89 6.14 -1.25 -0.48 117.35 127.50 2k1g s TYR 56 Ca 0.72 0.28 -0.01 0.00 0.64 0.00 0.00 57.07 58.70 2k1g s TYR 56 Cb -0.27 -3.87 0.03 0.00 0.42 0.00 0.00 41.96 38.27 2k1g s TYR 56 CO 0.47 -3.62 0.01 0.50 0.64 0.00 0.00 175.55 173.55 2k1g s ARG 57 N 3.99 0.38 -0.25 4.97 3.52 -1.11 -4.70 118.95 125.76 2k1g s ARG 57 Ca 0.71 0.14 -0.29 0.00 -0.13 0.00 0.00 55.73 56.17 2k1g s ARG 57 Cb -0.32 -0.71 -0.02 0.00 -1.56 0.00 0.00 34.95 32.34 2k1g s ARG 57 CO 0.28 -0.24 1.62 -0.51 -0.81 0.00 0.00 175.30 175.64 2k1g s LEU 58 N 1.64 3.82 0.00 -0.88 1.02 -1.26 -0.32 118.68 122.70 2k1g s LEU 58 Ca -0.01 1.52 0.00 0.00 0.02 0.00 0.00 54.13 55.66 2k1g s LEU 58 Cb -0.13 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.55 2k1g s LEU 58 CO -0.03 -1.32 0.00 0.61 0.02 0.00 0.00 176.35 175.62 2k1g n GLY 59 N 4.78 1.72 3.58 -3.19 0.00 -1.26 -4.88 105.19 105.94 2k1g n GLY 59 Ca 0.19 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -0.38 -0.42 -0.02 0.00 -1.26 -4.90 107.32 100.34 2k1g s GLY 60 Ca 0.00 -1.72 -0.29 0.00 0.00 0.00 0.00 44.72 42.71 2k1g s GLY 60 CO 0.00 3.87 1.32 -1.35 0.00 0.00 0.00 173.10 176.94 2k1g s SER 61 N 7.79 6.46 0.16 1.64 1.04 -1.26 -4.23 113.70 125.30 2k1g s SER 61 Ca 0.75 0.75 -0.24 0.00 0.48 0.00 0.00 55.95 57.70 2k1g s SER 61 Cb -0.04 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 63.61 2k1g s SER 61 CO 0.13 -1.34 1.00 0.28 0.98 0.00 0.00 173.24 174.28 2k1g s THR 62 N 5.03 0.00 -1.30 2.02 -1.32 -0.01 -5.00 115.64 115.06 2k1g s THR 62 Ca 0.57 -0.63 0.14 0.00 -1.21 0.00 0.00 61.69 60.56 2k1g s THR 62 Cb -0.12 -2.35 0.21 0.00 -1.51 0.00 0.00 72.50 68.73 2k1g s THR 62 CO 0.31 0.00 1.40 0.29 -2.21 0.00 0.00 174.62 174.41 2k1g n LYS 63 N -0.56 0.14 -0.21 7.08 4.76 -1.26 -1.09 118.16 127.02 2k1g n LYS 63 Ca -0.05 0.19 0.09 0.00 -2.87 0.00 0.00 58.31 55.66 2k1g n LYS 63 Cb 0.60 -1.50 0.25 0.00 -1.84 0.00 0.00 35.03 32.54 2k1g n LYS 63 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k1g n LYS 64 N -1.35 2.11 0.00 1.97 4.76 -1.26 -4.91 118.16 119.48 2k1g n LYS 64 Ca 0.06 -1.71 0.00 0.00 -2.87 0.00 0.00 58.31 53.78 2k1g n LYS 64 Cb 0.13 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 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 1.29 4.72 3.64 0.72 0.00 -0.25 -4.91 105.19 110.39 2k1g n GLY 65 Ca 0.17 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.41 0.00 0.84 -0.61 2.07 0.37 -0.83 121.20 121.63 2k1g s ILE 66 Ca 0.00 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.15 2k1g s ILE 66 Cb 0.00 -1.00 0.16 0.00 0.13 0.00 0.00 42.46 41.75 2k1g s ILE 66 CO 0.00 0.00 1.16 1.51 -1.91 0.00 0.00 174.94 175.70 2k1g s ASP 67 N 0.89 3.80 0.11 4.50 -4.77 0.56 -2.76 116.67 119.01 2k1g s ASP 67 Ca -0.04 0.03 -0.30 0.00 -3.30 0.00 0.00 52.55 48.94 2k1g s ASP 67 Cb -0.05 -0.28 -0.09 0.00 -1.09 0.00 0.00 42.92 41.41 2k1g s ASP 67 CO -0.10 -2.26 1.59 0.00 0.70 0.00 0.00 175.17 175.11 2k1g h SER 69 N -0.63 0.56 -0.40 0.00 0.02 -1.88 -2.83 113.55 108.40 2k1g h SER 69 Ca 0.03 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2k1g h SER 69 Cb 0.66 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2k1g h SER 69 CO -0.25 0.70 0.23 1.23 -1.14 0.00 0.00 176.83 177.60 2k1g h GLY 70 N 0.94 0.58 0.81 -3.77 0.00 -1.72 -2.53 103.07 97.38 2k1g h GLY 70 Ca 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2k1g h GLY 70 CO 0.03 0.24 0.02 -2.75 0.00 0.00 0.00 176.54 174.08 2k1g h PHE 71 N 0.51 0.13 0.05 5.60 3.57 -0.68 -2.68 116.94 123.45 2k1g h PHE 71 Ca 0.14 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2k1g h PHE 71 Cb 0.02 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2k1g h PHE 71 CO -0.03 0.30 -0.02 -0.24 -2.23 0.00 0.00 178.31 176.08 2k1g h VAL 72 N -0.07 0.97 -0.92 1.41 3.04 -1.51 0.49 116.25 119.64 2k1g h VAL 72 Ca 0.03 -0.04 0.05 0.00 -1.01 0.00 0.00 66.70 65.73 2k1g h VAL 72 Cb 0.23 0.99 -0.06 0.00 -2.01 0.00 0.00 31.29 30.44 2k1g h VAL 72 CO -0.00 0.01 0.59 0.06 -1.01 0.00 0.00 177.57 177.22 2k1g h GLN 73 N -0.08 1.08 -0.04 4.17 3.07 -1.49 -2.73 115.11 119.09 2k1g h GLN 73 Ca -0.01 -0.07 -0.03 0.00 0.09 0.00 0.00 58.65 58.64 2k1g h GLN 73 Cb 0.07 -0.24 0.00 0.00 0.08 0.00 0.00 27.48 27.38 2k1g h GLN 73 CO 0.01 0.72 -0.08 0.00 0.09 0.00 0.00 178.83 179.56 2k1g h ARG 74 N 1.11 0.12 -0.80 0.06 3.08 -1.26 -2.79 114.38 113.91 2k1g h ARG 74 Ca 0.38 -0.08 0.19 0.00 0.07 0.00 0.00 59.98 60.55 2k1g h ARG 74 Cb 0.08 0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.01 2k1g h ARG 74 CO -0.15 0.67 0.11 1.15 -1.07 0.00 0.00 179.97 180.69 2k1g h THR 75 N -0.42 0.35 -0.29 2.04 2.02 -0.68 0.42 112.91 116.36 2k1g h THR 75 Ca -0.00 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 2k1g h THR 75 Cb 0.67 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2k1g h THR 75 CO 0.02 0.03 -0.10 -0.26 0.37 0.00 0.00 175.52 175.58 2k1g h PHE 76 N 0.16 0.66 -0.10 3.16 0.04 -1.54 -2.63 116.94 116.69 2k1g h PHE 76 Ca 0.46 -0.15 -0.15 0.00 2.80 0.00 0.00 57.97 60.93 2k1g h PHE 76 Cb 0.86 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.86 2k1g h PHE 76 CO -0.35 0.79 -0.54 0.07 -0.60 0.00 0.00 178.31 177.68 2k1g h ARG 77 N 0.34 0.55 -0.74 1.51 0.11 -0.00 0.35 114.38 116.49 2k1g h ARG 77 Ca 0.07 -0.45 -0.00 0.00 0.10 0.00 0.00 59.98 59.70 2k1g h ARG 77 Cb 0.60 0.10 -0.04 0.00 1.11 0.00 0.00 29.97 31.74 2k1g h ARG 77 CO 0.03 1.08 0.44 0.93 0.10 0.00 0.00 179.97 182.56 2k1g h GLU 78 N 0.15 1.00 0.00 0.08 4.39 -0.30 -2.24 114.58 117.67 2k1g h GLU 78 Ca -0.04 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2k1g h GLU 78 Cb 1.18 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2k1g h GLU 78 CO 0.11 0.71 -0.05 1.04 -1.16 0.00 0.00 179.01 179.66 2k1g n GLN 79 N -4.39 0.03 0.17 2.33 1.13 -0.99 -4.75 117.38 110.92 2k1g n GLN 79 Ca 0.08 0.14 0.08 0.00 -1.94 0.00 0.00 57.00 55.36 2k1g n GLN 79 Cb 0.07 -0.69 0.09 0.00 0.11 0.00 0.00 30.24 29.82 2k1g n GLN 79 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 2k1g h PHE 80 N -0.07 0.00 0.00 1.08 0.04 -0.66 -3.47 116.94 113.86 2k1g h PHE 80 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k1g h PHE 80 Cb 0.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.20 2k1g h PHE 80 CO -0.02 0.21 0.00 0.41 -0.60 0.00 0.00 178.31 178.30 2k1g n GLY 81 N 1.16 0.71 3.48 -1.45 0.00 0.85 -4.95 105.19 104.99 2k1g n GLY 81 Ca 0.02 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 4.01 -0.14 0.99 2.96 -0.80 -4.81 118.68 120.89 2k1g s LEU 82 Ca 0.00 -0.34 -0.17 0.00 -0.22 0.00 0.00 54.13 53.40 2k1g s LEU 82 Cb 0.00 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 2k1g s LEU 82 CO 0.00 -0.14 0.41 -1.61 -1.32 0.00 0.00 176.35 173.69 2k1g s GLU 83 N 1.66 4.30 0.26 1.98 2.02 -1.26 -1.43 118.70 126.23 2k1g s GLU 83 Ca 0.06 0.32 0.11 0.00 0.02 0.00 0.00 54.97 55.47 2k1g s GLU 83 Cb -0.16 -3.44 -0.05 0.00 0.10 0.00 0.00 34.13 30.57 2k1g s GLU 83 CO 0.07 0.16 -0.19 -0.51 0.02 0.00 0.00 175.26 174.82 2k1g s LEU 84 N 0.64 2.58 0.80 1.80 1.43 -1.26 -5.06 118.68 119.62 2k1g s LEU 84 Ca 0.22 -1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 52.19 2k1g s LEU 84 Cb -0.14 -1.00 0.08 0.00 0.03 0.00 0.00 46.19 45.15 2k1g s LEU 84 CO 0.08 -0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.58 2k1g s PRO 85 N -3.53 2.00 -0.14 1.29 0.04 -1.26 -4.85 135.00 128.54 2k1g s PRO 85 Ca 0.28 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.49 2k1g s PRO 85 Cb -0.04 -1.87 0.32 0.00 0.04 0.00 0.00 34.50 32.95 2k1g s PRO 85 CO 0.13 -1.82 1.20 0.54 0.04 0.00 0.00 177.00 177.10 2k1g n ARG 86 N -3.64 2.11 -3.68 4.56 1.74 -1.26 -4.80 116.66 111.70 2k1g n ARG 86 Ca 0.09 -1.31 -0.14 0.00 -0.77 0.00 0.00 57.85 55.72 2k1g n ARG 86 Cb 0.53 -1.67 -0.08 0.00 -1.02 0.00 0.00 32.46 30.22 2k1g n ARG 86 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2k1g s SER 87 N -0.15 -0.52 0.17 0.55 0.01 -1.26 -4.69 113.70 107.80 2k1g s SER 87 Ca 0.24 0.89 -0.17 0.00 1.31 0.00 0.00 55.95 58.21 2k1g s SER 87 Cb 0.19 0.90 0.09 0.00 0.21 0.00 0.00 66.02 67.42 2k1g s SER 87 CO 0.06 -0.29 1.67 0.71 0.41 0.00 0.00 173.24 175.80 2k1g h THR 88 N 4.04 0.60 -0.93 1.44 1.35 -1.87 -0.84 112.91 116.69 2k1g h THR 88 Ca -0.28 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 65.74 2k1g h THR 88 Cb 1.17 0.60 -0.08 0.00 -1.73 0.00 0.00 68.15 68.11 2k1g h THR 88 CO 0.23 0.00 0.59 1.88 -0.25 0.00 0.00 175.52 177.98 2k1g h TYR 89 N -0.00 0.86 -0.15 4.73 -1.99 -1.97 0.20 116.97 118.65 2k1g h TYR 89 Ca 0.19 0.03 -0.11 0.00 2.00 0.00 0.00 58.73 60.84 2k1g h TYR 89 Cb 0.30 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.76 2k1g h TYR 89 CO -0.36 0.28 -0.32 0.93 -0.00 0.00 0.00 178.16 178.69 2k1g h GLU 90 N 0.69 0.48 0.00 4.88 4.39 -1.77 -3.21 114.58 120.03 2k1g h GLU 90 Ca 0.48 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 2k1g h GLU 90 Cb 0.80 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2k1g h GLU 90 CO -0.24 0.93 -0.03 1.96 -1.16 0.00 0.00 179.01 180.47 2k1g h GLN 91 N 0.09 0.00 -0.28 2.33 4.20 0.44 -2.01 115.11 119.87 2k1g h GLN 91 Ca 0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 2k1g h GLN 91 Cb 0.92 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 2k1g h GLN 91 CO 0.07 0.03 0.24 1.96 -0.67 0.00 0.00 178.83 180.46 2k1g h GLN 92 N 0.00 0.00 0.00 1.46 4.20 -0.71 -1.17 115.11 118.89 2k1g h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k1g h GLN 92 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2k1g h GLN 92 CO 0.00 0.00 -0.97 0.93 -0.67 0.00 0.00 178.83 178.13 2k1g h GLU 93 N 0.00 0.00 -6.80 1.46 4.39 -1.53 -3.48 114.58 108.62 2k1g h GLU 93 Ca 0.14 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.34 2k1g h GLU 93 Cb 0.61 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2k1g h GLU 93 CO -0.00 0.00 0.43 -1.64 -1.16 0.00 0.00 179.01 176.64 2k1g s MET 94 N -3.34 4.68 1.87 2.33 -1.94 -0.44 -4.87 119.30 117.59 2k1g s MET 94 Ca 0.00 1.69 0.00 0.00 -1.71 0.00 0.00 55.69 55.67 2k1g s MET 94 Cb 0.10 -3.18 0.00 0.00 2.01 0.00 0.00 34.83 33.76 2k1g s MET 94 CO 0.78 0.29 0.00 0.41 -0.01 0.00 0.00 175.02 176.49 2k1g n GLY 95 N 1.22 -1.03 3.63 -0.03 0.00 -1.26 -4.78 105.19 102.95 2k1g n GLY 95 Ca -0.01 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 2k1g n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1g s LYS 96 N 0.00 2.46 0.09 1.61 -0.14 -1.23 -4.90 119.74 117.63 2k1g s LYS 96 Ca 0.00 -0.84 -0.30 0.00 -1.36 0.00 0.00 55.97 53.47 2k1g s LYS 96 Cb 0.00 -2.48 -0.05 0.00 -1.68 0.00 0.00 37.83 33.62 2k1g s LYS 96 CO 0.00 0.55 0.98 -1.54 -0.76 0.00 0.00 175.35 174.59 2k1g s SER 97 N -2.00 7.44 0.19 2.83 1.04 -1.26 -2.86 113.70 119.08 2k1g s SER 97 Ca 0.22 1.79 -0.07 0.00 0.48 0.00 0.00 55.95 58.37 2k1g s SER 97 Cb -0.11 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.40 2k1g s SER 97 CO 0.14 -0.13 0.27 0.68 0.98 0.00 0.00 173.24 175.17 2k1g s VAL 98 N 0.24 0.04 0.08 5.02 -7.23 -0.78 -4.98 120.40 112.78 2k1g s VAL 98 Ca 0.49 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 2k1g s VAL 98 Cb -0.23 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.62 2k1g s VAL 98 CO 0.30 -0.19 0.02 -0.24 -0.31 0.00 0.00 175.10 174.68 2k1g n SER 99 N -0.25 1.91 -0.02 4.85 2.88 -1.26 -1.56 113.62 120.17 2k1g n SER 99 Ca -0.04 -1.31 -0.11 0.00 -1.33 0.00 0.00 58.87 56.07 2k1g n SER 99 Cb 0.63 0.03 -0.05 0.00 -0.75 0.00 0.00 64.21 64.08 2k1g n SER 99 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2k1g h ARG 100 N 0.00 -0.42 0.00 -1.46 2.47 -1.99 -1.09 114.38 111.88 2k1g h ARG 100 Ca -0.06 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2k1g h ARG 100 Cb 0.19 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 2k1g h ARG 100 CO 0.10 -0.28 0.00 0.43 0.56 0.00 0.00 179.97 180.77 2k1g n SER 101 N -5.43 0.23 -0.36 7.04 7.64 -1.26 -2.26 113.62 119.22 2k1g n SER 101 Ca -0.03 0.58 0.07 0.00 1.01 0.00 0.00 58.87 60.50 2k1g n SER 101 Cb 0.35 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2k1g n SER 101 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2k1g n ASN 102 N -1.77 1.61 -4.75 6.43 4.13 -0.45 -5.03 115.26 115.43 2k1g n ASN 102 Ca 0.02 -1.31 -0.38 0.00 1.68 0.00 0.00 54.58 54.59 2k1g n ASN 102 Cb 0.12 0.43 0.03 0.00 -1.54 0.00 0.00 39.78 38.82 2k1g n ASN 102 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2k1g s LEU 103 N -1.91 3.82 0.00 3.41 1.43 -0.96 -4.86 118.68 119.61 2k1g s LEU 103 Ca 0.13 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 2k1g s LEU 103 Cb 0.12 -4.36 0.00 0.00 0.03 0.00 0.00 46.19 41.98 2k1g s LEU 103 CO 0.36 -1.52 0.00 0.54 0.23 0.00 0.00 176.35 175.97 2k1g n ARG 104 N -1.13 3.92 -3.42 1.70 5.12 -1.26 -5.10 116.66 116.49 2k1g n ARG 104 Ca 0.11 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.59 2k1g n ARG 104 Cb 0.47 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.69 2k1g n ARG 104 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2k1g s THR 105 N 1.19 4.93 0.00 0.55 2.01 -1.26 -4.35 115.64 118.71 2k1g s THR 105 Ca 0.00 -1.36 0.00 0.00 0.31 0.00 0.00 61.69 60.64 2k1g s THR 105 Cb 0.00 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.45 2k1g s THR 105 CO 0.00 -0.69 0.00 0.61 -0.69 0.00 0.00 174.62 173.85 2k1g n GLY 106 N 5.13 0.64 3.74 4.40 0.00 0.36 -4.90 105.19 114.55 2k1g n GLY 106 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2k1g n GLY 106 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k1g s ASP 107 N -0.97 7.10 -0.46 1.61 1.11 -1.25 -4.31 116.67 119.51 2k1g s ASP 107 Ca 0.00 2.20 -0.29 0.00 0.18 0.00 0.00 52.55 54.64 2k1g s ASP 107 Cb 0.00 -2.60 0.03 0.00 1.07 0.00 0.00 42.92 41.41 2k1g s ASP 107 CO 0.00 -0.37 1.16 -0.76 1.18 0.00 0.00 175.17 176.38 2k1g s LEU 108 N -0.14 3.66 -0.29 1.23 1.43 0.74 -1.18 118.68 124.13 2k1g s LEU 108 Ca 0.53 0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 54.03 2k1g s LEU 108 Cb -0.32 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.32 2k1g s LEU 108 CO 0.36 -1.23 0.40 0.68 0.23 0.00 0.00 176.35 176.78 2k1g s VAL 109 N 4.46 5.15 -0.20 -1.59 -7.23 -0.26 -0.53 120.40 120.20 2k1g s VAL 109 Ca 0.49 0.50 -0.20 0.00 -1.81 0.00 0.00 61.98 60.97 2k1g s VAL 109 Cb -0.08 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.08 2k1g s VAL 109 CO 0.30 0.08 0.58 -0.76 -0.31 0.00 0.00 175.10 175.00 2k1g s LEU 110 N 2.11 4.15 -0.05 1.32 1.43 -0.07 -1.51 118.68 126.06 2k1g s LEU 110 Ca 0.15 0.77 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 2k1g s LEU 110 Cb -0.16 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 2k1g s LEU 110 CO 0.10 -0.23 -0.09 -0.36 0.23 0.00 0.00 176.35 176.00 2k1g s PHE 111 N 1.78 2.86 -0.68 0.29 0.08 0.62 -0.72 117.98 122.20 2k1g s PHE 111 Ca 0.27 -0.04 -0.20 0.00 0.12 0.00 0.00 56.93 57.08 2k1g s PHE 111 Cb -0.16 -1.66 0.11 0.00 -0.57 0.00 0.00 43.02 40.74 2k1g s PHE 111 CO 0.10 0.30 0.84 1.03 -0.10 0.00 0.00 175.22 177.40 2k1g s ARG 112 N -0.93 3.18 -0.22 0.44 0.52 0.07 -1.90 118.95 120.11 2k1g s ARG 112 Ca 0.13 -1.32 -0.18 0.00 -0.52 0.00 0.00 55.73 53.83 2k1g s ARG 112 Cb -0.11 -4.37 -0.03 0.00 0.52 0.00 0.00 34.95 30.97 2k1g s ARG 112 CO 0.02 -1.64 0.52 0.00 0.02 0.00 0.00 175.30 174.23 2k1g s ALA 113 N 2.91 3.56 0.00 2.13 0.00 0.32 -4.72 121.76 125.97 2k1g s ALA 113 Ca 0.18 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2k1g s ALA 113 Cb -0.18 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2k1g s ALA 113 CO 0.04 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.65 2k1g n GLY 114 N 4.07 0.73 0.35 0.00 0.00 -1.26 -1.89 105.19 107.19 2k1g n GLY 114 Ca -0.04 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2k1g n GLY 114 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k1g n SER 115 N 2.70 0.00 -1.14 1.61 7.64 -1.26 -4.94 113.62 118.22 2k1g n SER 115 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 2k1g n SER 115 Cb 0.00 0.09 0.22 0.00 -1.01 0.00 0.00 64.21 63.50 2k1g n SER 115 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k1g n THR 116 N -1.50 0.54 -3.50 0.44 -2.24 -1.24 -4.89 114.28 101.88 2k1g n THR 116 Ca 0.00 -0.77 -0.42 0.00 -2.27 0.00 0.00 64.05 60.59 2k1g n THR 116 Cb 0.00 0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 69.09 2k1g n THR 116 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k1g s GLY 117 N -1.43 1.99 -0.42 3.38 0.00 -0.79 -5.02 107.32 105.03 2k1g s GLY 117 Ca 0.38 -1.93 -0.21 0.00 0.00 0.00 0.00 44.72 42.97 2k1g s GLY 117 CO 0.31 0.95 0.68 0.50 0.00 0.00 0.00 173.10 175.55 2k1g s ARG 118 N 1.58 3.42 0.11 2.90 3.00 -1.26 -0.52 118.95 128.19 2k1g s ARG 118 Ca 0.03 -0.18 0.08 0.00 0.00 0.00 0.00 55.73 55.67 2k1g s ARG 118 Cb -0.21 -3.91 -0.04 0.00 0.00 0.00 0.00 34.95 30.79 2k1g s ARG 118 CO 0.07 -0.97 -0.16 -1.58 0.00 0.00 0.00 175.30 172.66 2k1g s HIS 119 N 2.93 2.58 0.03 -0.53 2.46 -0.80 -4.77 115.29 117.19 2k1g s HIS 119 Ca 0.25 -0.24 0.03 0.00 0.47 0.00 0.00 55.06 55.57 2k1g s HIS 119 Cb -0.14 -1.37 -0.02 0.00 -0.13 0.00 0.00 32.58 30.93 2k1g s HIS 119 CO 0.19 0.39 -0.08 0.54 -2.47 0.00 0.00 174.74 173.31 2k1g s VAL 120 N -1.16 0.61 0.09 0.89 0.11 -1.26 -0.28 120.40 119.41 2k1g s VAL 120 Ca 0.19 -0.81 0.03 0.00 -2.93 0.00 0.00 61.98 58.46 2k1g s VAL 120 Cb -0.11 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 2k1g s VAL 120 CO 0.11 -0.16 -0.09 -0.83 -3.33 0.00 0.00 175.10 170.81 2k1g s GLY 121 N -1.06 0.77 -0.56 6.54 0.00 -0.57 -4.67 107.32 107.77 2k1g s GLY 121 Ca -0.04 -1.17 -0.21 0.00 0.00 0.00 0.00 44.72 43.29 2k1g s GLY 121 CO 0.00 -1.25 0.79 -0.42 0.00 0.00 0.00 173.10 172.22 2k1g s ILE 122 N -2.65 4.63 -0.58 0.90 1.01 -0.35 -1.10 121.20 123.05 2k1g s ILE 122 Ca 0.05 -0.30 -0.27 0.00 0.00 0.00 0.00 60.65 60.13 2k1g s ILE 122 Cb -0.01 -4.46 -0.02 0.00 0.01 0.00 0.00 42.46 37.97 2k1g s ILE 122 CO -0.01 -1.05 1.86 -0.47 0.00 0.00 0.00 174.94 175.27 2k1g s TYR 123 N 3.28 1.67 -0.31 3.97 5.04 -0.33 -2.48 117.35 128.19 2k1g s TYR 123 Ca 0.20 0.79 0.20 0.00 -2.44 0.00 0.00 57.07 55.83 2k1g s TYR 123 Cb -0.17 -4.08 0.18 0.00 0.35 0.00 0.00 41.96 38.23 2k1g s TYR 123 CO 0.13 -2.37 1.43 -0.84 -1.34 0.00 0.00 175.55 172.56 2k1g h ILE 124 N 6.89 0.29 0.00 3.14 3.07 -1.64 0.10 117.51 129.37 2k1g h ILE 124 Ca -0.27 -1.43 0.00 0.00 1.55 0.00 0.00 64.86 64.72 2k1g h ILE 124 Cb 1.16 2.05 0.00 0.00 -0.27 0.00 0.00 36.82 39.77 2k1g h ILE 124 CO 1.20 0.16 0.00 0.61 -1.05 0.00 0.00 178.15 179.07 2k1g n GLY 125 N 1.17 2.58 2.43 0.16 0.00 -1.12 -4.68 105.19 105.73 2k1g n GLY 125 Ca 0.02 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.54 1.61 4.13 -1.26 -0.54 115.26 112.00 2k1g n ASN 126 Ca 0.00 0.11 -0.17 0.00 1.68 0.00 0.00 54.58 56.20 2k1g n ASN 126 Cb 0.00 -4.75 -0.05 0.00 -1.54 0.00 0.00 39.78 33.44 2k1g n ASN 126 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2k1g n ASN 127 N -1.70 -5.04 -4.52 6.41 3.02 -1.26 -4.93 115.26 107.24 2k1g n ASN 127 Ca -0.23 0.26 -0.29 0.00 -0.03 0.00 0.00 54.58 54.29 2k1g n ASN 127 Cb 0.68 -4.07 -0.11 0.00 -0.61 0.00 0.00 39.78 35.67 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 -3.96 1.91 -0.06 3.52 -0.21 0.30 0.24 119.66 121.41 2k1g s GLN 128 Ca 0.00 -1.12 -0.25 0.00 0.02 0.00 0.00 55.36 54.01 2k1g s GLN 128 Cb 0.00 -2.18 0.05 0.00 1.00 0.00 0.00 33.01 31.88 2k1g s GLN 128 CO 0.00 0.49 0.56 -0.59 -2.12 0.00 0.00 175.29 173.63 2k1g s PHE 129 N -1.18 -0.52 -0.08 0.91 -0.71 -0.88 -1.64 117.98 113.87 2k1g s PHE 129 Ca 0.19 0.94 -0.04 0.00 -1.04 0.00 0.00 56.93 56.99 2k1g s PHE 129 Cb -0.11 0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 2k1g s PHE 129 CO 0.12 -0.51 0.08 0.54 -1.34 0.00 0.00 175.22 174.11 2k1g s VAL 130 N -1.03 4.93 0.18 -2.49 0.11 -1.04 -2.25 120.40 118.81 2k1g s VAL 130 Ca -0.10 -0.08 -0.21 0.00 -2.93 0.00 0.00 61.98 58.66 2k1g s VAL 130 Cb -0.02 -3.14 0.05 0.00 -1.53 0.00 0.00 36.38 31.74 2k1g s VAL 130 CO 0.07 0.56 0.59 -1.38 -3.33 0.00 0.00 175.10 171.61 2k1g s HIS 131 N -1.01 -0.41 -0.70 1.54 -3.43 -0.76 -1.22 115.29 109.31 2k1g s HIS 131 Ca 0.16 0.13 -0.13 0.00 -0.80 0.00 0.00 55.06 54.42 2k1g s HIS 131 Cb -0.12 0.54 0.18 0.00 -1.43 0.00 0.00 32.58 31.75 2k1g s HIS 131 CO 0.05 -0.91 0.63 0.00 -2.00 0.00 0.00 174.74 172.51 2k1g s ALA 132 N -3.80 3.86 0.79 -1.38 0.00 -1.26 -0.63 121.76 119.35 2k1g s ALA 132 Ca 0.04 -3.03 -0.12 0.00 0.00 0.00 0.00 51.96 48.85 2k1g s ALA 132 Cb -0.02 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.86 2k1g s ALA 132 CO -0.09 -2.16 1.11 0.45 0.00 0.00 0.00 175.76 175.08 2k1g s SER 133 N 2.47 4.58 0.00 0.00 0.15 0.64 -2.94 113.70 118.61 2k1g s SER 133 Ca 0.13 1.15 -0.09 0.00 0.70 0.00 0.00 55.95 57.83 2k1g s SER 133 Cb -0.18 -1.85 -0.05 0.00 -1.71 0.00 0.00 66.02 62.22 2k1g s SER 133 CO -0.04 -1.89 0.82 0.71 1.20 0.00 0.00 173.24 174.03 2k1g h THR 134 N -1.04 0.00 -0.31 6.45 1.35 -1.97 0.24 112.91 117.62 2k1g h THR 134 Ca -0.47 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2k1g h THR 134 Cb 1.28 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2k1g h THR 134 CO 0.62 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.35 2k1g n SER 135 N -3.24 1.86 0.00 5.36 3.41 -1.26 -4.06 113.62 115.69 2k1g n SER 135 Ca -0.04 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 2k1g n SER 135 Cb 0.13 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2k1g n SER 135 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k1g n SER 136 N 0.50 3.54 0.00 4.04 7.64 -1.24 -5.08 113.62 123.01 2k1g n SER 136 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2k1g n SER 136 Cb 0.31 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 2k1g n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k1g n GLY 137 N 2.23 -0.61 3.55 0.23 0.00 0.07 -4.65 105.19 106.02 2k1g n GLY 137 Ca 0.00 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 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 3.34 0.34 1.61 1.01 -0.73 -0.26 120.40 125.71 2k1g s VAL 138 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2k1g s VAL 138 Cb 0.00 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2k1g s VAL 138 CO 0.00 -0.79 0.13 2.30 0.00 0.00 0.00 175.10 176.74 2k1g n ILE 139 N 7.62 0.00 -4.98 2.22 -0.00 0.20 -0.96 119.36 123.45 2k1g n ILE 139 Ca 0.31 -2.01 -0.32 0.00 -0.00 0.00 0.00 62.75 60.73 2k1g n ILE 139 Cb 0.50 0.74 -0.14 0.00 -0.00 0.00 0.00 39.64 40.74 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 -2.86 2.83 0.13 7.28 -1.09 -1.26 -1.82 121.20 124.40 2k1g s ILE 140 Ca 0.18 -0.81 -0.05 0.00 -2.23 0.00 0.00 60.65 57.74 2k1g s ILE 140 Cb 0.01 -2.09 -0.02 0.00 -1.58 0.00 0.00 42.46 38.78 2k1g s ILE 140 CO 0.13 0.59 0.15 -0.94 -1.23 0.00 0.00 174.94 173.64 2k1g s SER 141 N -0.65 0.20 0.01 3.58 1.04 -0.95 -5.02 113.70 111.91 2k1g s SER 141 Ca 0.10 -0.98 0.05 0.00 0.48 0.00 0.00 55.95 55.60 2k1g s SER 141 Cb -0.11 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 2k1g s SER 141 CO 0.00 -0.78 -0.13 -0.44 0.98 0.00 0.00 173.24 172.88 2k1g s SER 142 N -2.98 4.17 0.51 7.02 0.01 -1.26 -2.08 113.70 119.09 2k1g s SER 142 Ca 0.17 -0.27 0.17 0.00 1.31 0.00 0.00 55.95 57.32 2k1g s SER 142 Cb 0.06 -0.84 1.26 0.00 0.21 0.00 0.00 66.02 66.70 2k1g s SER 142 CO -0.02 0.28 2.11 0.24 0.41 0.00 0.00 173.24 176.26 2k1g h MET 143 N 4.67 0.05 0.00 12.44 2.86 -0.57 -1.85 114.93 132.54 2k1g h MET 143 Ca -0.48 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 2k1g h MET 143 Cb 1.16 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2k1g h MET 143 CO 0.51 0.04 0.00 -0.91 1.06 0.00 0.00 176.91 177.60 2k1g h ASN 144 N 0.05 0.00 -2.46 1.22 -0.26 -1.95 -3.26 115.58 108.92 2k1g h ASN 144 Ca 0.07 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.24 2k1g h ASN 144 Cb 0.21 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.46 2k1g h ASN 144 CO -0.01 0.00 1.28 -1.61 -1.06 0.00 0.00 177.43 176.03 2k1g s GLU 145 N -3.71 3.59 0.38 0.81 0.41 -0.70 -4.86 118.70 114.62 2k1g s GLU 145 Ca 0.00 1.90 0.20 0.00 -0.41 0.00 0.00 54.97 56.67 2k1g s GLU 145 Cb 0.09 -4.18 1.22 0.00 -1.78 0.00 0.00 34.13 29.49 2k1g s GLU 145 CO 0.51 -1.56 1.65 -1.35 -0.49 0.00 0.00 175.26 174.03 2k1g h PRO 146 N 12.29 0.21 -0.07 0.39 0.11 -1.89 0.16 132.00 143.20 2k1g h PRO 146 Ca -0.39 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.73 2k1g h PRO 146 Cb 1.20 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2k1g h PRO 146 CO 0.98 0.14 -0.05 -0.92 -0.21 0.00 0.00 178.00 177.94 2k1g h TYR 147 N 0.22 -0.13 0.14 0.65 3.20 -1.94 -2.83 116.97 116.28 2k1g h TYR 147 Ca 0.76 0.01 -0.30 0.00 3.14 0.00 0.00 58.73 62.34 2k1g h TYR 147 Cb 1.99 0.07 0.00 0.00 1.54 0.00 0.00 36.73 40.33 2k1g h TYR 147 CO -0.01 -0.09 -1.45 -1.49 -1.64 0.00 0.00 178.16 173.48 2k1g h TRP 148 N -0.06 0.55 -0.87 -3.82 4.06 -1.23 -3.27 115.95 111.31 2k1g h TRP 148 Ca 0.05 -0.40 0.13 0.00 2.06 0.00 0.00 58.89 60.73 2k1g h TRP 148 Cb 0.13 -0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 28.20 2k1g h TRP 148 CO -0.16 1.39 0.56 -0.22 -3.56 0.00 0.00 178.44 176.46 2k1g h LYS 149 N 0.08 0.67 0.00 0.49 3.64 -0.80 0.13 116.57 120.78 2k1g h LYS 149 Ca -0.22 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2k1g h LYS 149 Cb 2.03 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2k1g h LYS 149 CO 0.19 0.44 -0.27 1.57 -2.27 0.00 0.00 179.45 179.11 2k1g h LYS 150 N 0.69 0.00 0.00 1.90 2.10 -1.61 -3.29 116.57 116.37 2k1g h LYS 150 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 2k1g h LYS 150 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2k1g h LYS 150 CO -0.19 0.00 -0.83 0.00 -2.00 0.00 0.00 179.45 176.43 2k1g h ARG 151 N 0.00 0.00 -6.22 0.07 2.47 -0.85 -3.47 114.38 106.38 2k1g h ARG 151 Ca 0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 2k1g h ARG 151 Cb 0.76 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.09 2k1g h ARG 151 CO 0.00 0.00 1.32 0.98 0.56 0.00 0.00 179.97 182.83 2k1g n TYR 152 N -2.35 2.29 -0.07 3.04 9.36 -0.58 -0.75 117.16 128.10 2k1g n TYR 152 Ca 0.02 -0.25 -0.05 0.00 3.32 0.00 0.00 57.90 60.93 2k1g n TYR 152 Cb 0.49 -2.76 -0.02 0.00 -0.63 0.00 0.00 39.34 36.42 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 8.90 1.69 -3.65 2.98 5.15 0.10 -4.94 115.26 125.49 2k1g n ASN 153 Ca 0.24 0.53 0.00 0.00 -0.60 0.00 0.00 54.58 54.76 2k1g n ASN 153 Cb 0.41 -0.81 -0.00 0.00 -0.53 0.00 0.00 39.78 38.84 2k1g n ASN 153 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2k1g s GLU 154 N -2.29 0.61 0.40 1.20 -1.05 -1.23 -5.03 118.70 111.31 2k1g s GLU 154 Ca -0.17 -0.34 0.07 0.00 -0.15 0.00 0.00 54.97 54.38 2k1g s GLU 154 Cb 0.02 0.20 -0.08 0.00 -0.44 0.00 0.00 34.13 33.84 2k1g s GLU 154 CO 0.25 -0.28 -0.00 0.00 0.95 0.00 0.00 175.26 176.18 2k1g s ALA 155 N -2.59 3.15 -0.14 -0.84 0.00 -0.60 -0.89 121.76 119.84 2k1g s ALA 155 Ca 0.15 -2.28 -0.03 0.00 0.00 0.00 0.00 51.96 49.79 2k1g s ALA 155 Cb 0.03 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.34 2k1g s ALA 155 CO -0.02 -0.10 0.05 1.03 0.00 0.00 0.00 175.76 176.73 2k1g s ARG 156 N -3.70 0.29 -0.56 0.00 1.81 0.31 -1.87 118.95 115.24 2k1g s ARG 156 Ca 0.35 -0.06 -0.28 0.00 -1.72 0.00 0.00 55.73 54.02 2k1g s ARG 156 Cb 0.09 -1.52 0.02 0.00 -0.45 0.00 0.00 34.95 33.09 2k1g s ARG 156 CO 0.18 -0.54 1.32 -0.98 -0.68 0.00 0.00 175.30 174.60 2k1g s ARG 157 N 2.04 3.41 0.00 3.54 3.03 -1.13 -0.19 118.95 129.65 2k1g s ARG 157 Ca 0.02 0.41 0.21 0.00 2.03 0.00 0.00 55.73 58.41 2k1g s ARG 157 Cb -0.15 -4.07 0.14 0.00 -1.03 0.00 0.00 34.95 29.84 2k1g s ARG 157 CO -0.07 -1.80 1.14 1.33 -1.13 0.00 0.00 175.30 174.77 2k1g n VAL 158 N 6.80 0.00 -2.93 4.99 0.24 -1.26 -3.47 118.33 122.70 2k1g n VAL 158 Ca 0.11 -0.47 -0.43 0.00 -2.04 0.00 0.00 64.34 61.51 2k1g n VAL 158 Cb 0.49 1.41 -0.05 0.00 -1.47 0.00 0.00 33.84 34.22 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 -1.83 4.18 -0.93 1.34 1.43 -1.26 -4.96 118.68 116.65 2k1g s LEU 159 Ca 0.23 0.01 -0.24 0.00 -1.03 0.00 0.00 54.13 53.10 2k1g s LEU 159 Cb 0.17 -3.02 -0.00 0.00 0.03 0.00 0.00 46.19 43.37 2k1g s LEU 159 CO 0.30 -0.92 1.72 -0.44 0.23 0.00 0.00 176.35 177.24 2k1g s SER 160 N 2.12 5.73 0.01 2.29 0.01 -1.26 -4.97 113.70 117.63 2k1g s SER 160 Ca 0.32 -0.93 -0.30 0.00 1.31 0.00 0.00 55.95 56.34 2k1g s SER 160 Cb -0.12 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.48 2k1g s SER 160 CO 0.23 -2.20 1.58 0.00 0.41 0.00 0.00 173.24 173.26 2k1g s ARG 161 N 6.15 4.22 0.00 12.44 1.70 -1.26 -4.90 118.95 137.29 2k1g s ARG 161 Ca 0.59 2.19 0.05 0.00 -0.47 0.00 0.00 55.73 58.09 2k1g s ARG 161 Cb -0.04 -3.70 0.15 0.00 -0.57 0.00 0.00 34.95 30.79 2k1g s ARG 161 CO -0.03 -0.72 1.12 0.43 -1.08 0.00 0.00 175.30 175.02 2k1g n SER 162 N 5.97 0.72 -4.87 -2.89 7.64 -1.26 -4.84 113.62 114.09 2k1g n SER 162 Ca 0.15 -1.98 -0.35 0.00 1.01 0.00 0.00 58.87 57.70 2k1g n SER 162 Cb 0.42 -0.09 -0.05 0.00 -1.01 0.00 0.00 64.21 63.48 2k1g n SER 162 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2k1g s LEU 163 N -1.02 4.38 0.00 -3.43 2.96 -1.26 -5.38 118.68 114.93 2k1g s LEU 163 Ca 0.10 0.72 0.20 0.00 -0.22 0.00 0.00 54.13 54.93 2k1g s LEU 163 Cb 0.05 -2.75 1.21 0.00 0.50 0.00 0.00 46.19 45.20 2k1g s LEU 163 CO 0.07 0.24 1.59 -1.84 -1.32 0.00 0.00 176.35 175.09