#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1s s TYR 2 N 0.00 -0.20 0.00 2.98 5.04 -1.26 -4.97 117.35 118.94 2k1s s TYR 2 Ca 0.00 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.69 2k1s s TYR 2 Cb 0.00 0.55 0.00 0.00 0.35 0.00 0.00 41.96 42.86 2k1s s TYR 2 CO 0.00 -0.45 0.00 -0.12 -1.34 0.00 0.00 175.55 173.64 2k1s n MET 3 N -0.27 0.00 0.18 4.97 1.56 -1.26 -4.68 117.12 117.61 2k1s n MET 3 Ca -0.05 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.22 2k1s n MET 3 Cb 0.61 -0.29 -0.08 0.00 2.15 0.00 0.00 33.22 35.60 2k1s n MET 3 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 175.97 175.46 2k1s h ASP 4 N 0.00 -1.22 0.30 6.12 1.82 -1.98 -2.38 116.42 119.08 2k1s h ASP 4 Ca 0.00 0.12 -0.05 0.00 -0.39 0.00 0.00 57.03 56.71 2k1s h ASP 4 Cb 0.00 0.44 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 2k1s h ASP 4 CO 0.00 -0.53 -0.24 1.62 -1.61 0.00 0.00 179.24 178.48 2k1s h VAL 5 N -0.75 1.07 -0.08 2.25 3.04 -1.97 -2.40 116.25 117.41 2k1s h VAL 5 Ca -0.01 -0.86 0.02 0.00 -1.01 0.00 0.00 66.70 64.84 2k1s h VAL 5 Cb 0.72 1.48 -0.02 0.00 -2.01 0.00 0.00 31.29 31.46 2k1s h VAL 5 CO -0.17 0.24 -0.05 -0.61 -1.01 0.00 0.00 177.57 175.97 2k1s h GLN 6 N 0.00 -0.05 -0.71 4.17 5.75 -1.83 -1.81 115.11 120.63 2k1s h GLN 6 Ca -0.00 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 2k1s h GLN 6 Cb 0.46 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 2k1s h GLN 6 CO 0.03 -0.03 0.16 1.49 -2.65 0.00 0.00 178.83 177.83 2k1s h GLU 7 N -0.05 1.14 -0.32 1.69 4.81 -1.08 -2.73 114.58 118.05 2k1s h GLU 7 Ca 0.05 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 2k1s h GLU 7 Cb 0.13 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2k1s h GLU 7 CO -0.11 1.01 0.17 0.00 -0.73 0.00 0.00 179.01 179.34 2k1s h ALA 8 N 1.09 0.39 -0.63 2.92 0.00 -1.00 0.24 119.26 122.26 2k1s h ALA 8 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2k1s h ALA 8 Cb 0.39 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2k1s h ALA 8 CO 0.00 -0.21 0.03 0.87 0.00 0.00 0.00 179.25 179.94 2k1s h LYS 9 N 0.35 1.08 -0.54 0.00 1.57 -1.29 -2.50 116.57 115.24 2k1s h LYS 9 Ca 0.13 -0.33 -0.11 0.00 -1.87 0.00 0.00 60.65 58.47 2k1s h LYS 9 Cb 0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2k1s h LYS 9 CO -0.08 1.04 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.66 2k1s h LEU 10 N 0.99 1.01 0.03 2.94 3.38 -1.13 -2.39 115.31 120.13 2k1s h LEU 10 Ca 0.18 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2k1s h LEU 10 Cb 0.53 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2k1s h LEU 10 CO 0.03 1.11 -0.02 0.03 0.09 0.00 0.00 178.44 179.68 2k1s h ARG 11 N 0.90 -0.05 0.00 1.13 3.08 -0.30 -0.59 114.38 118.54 2k1s h ARG 11 Ca 0.14 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 2k1s h ARG 11 Cb 0.66 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2k1s h ARG 11 CO 0.05 -0.04 -0.26 0.22 -1.07 0.00 0.00 179.97 178.87 2k1s h ASP 12 N -0.05 0.00 -0.11 7.04 3.58 -1.46 -0.68 116.42 124.74 2k1s h ASP 12 Ca 0.00 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 2k1s h ASP 12 Cb 0.05 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.11 2k1s h ASP 12 CO -0.01 0.26 -0.44 0.50 -2.88 0.00 0.00 179.24 176.67 2k1s h LYS 13 N 0.00 0.49 -0.24 0.28 3.64 -1.17 -3.15 116.57 116.43 2k1s h LYS 13 Ca -0.00 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2k1s h LYS 13 Cb 0.87 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2k1s h LYS 13 CO 0.03 1.01 0.00 -1.33 -2.27 0.00 0.00 179.45 176.89 2k1s n MET 14 N -4.28 1.64 -2.22 1.90 2.81 -0.25 -4.71 117.12 112.00 2k1s n MET 14 Ca -0.08 -0.98 -0.32 0.00 -1.81 0.00 0.00 57.70 54.51 2k1s n MET 14 Cb 0.56 -1.27 -0.04 0.00 -0.71 0.00 0.00 33.22 31.76 2k1s n MET 14 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 2k1s s ARG 15 N -1.68 2.93 0.00 0.03 3.52 -0.28 -2.46 118.95 121.01 2k1s s ARG 15 Ca 0.23 -1.14 0.00 0.00 -0.13 0.00 0.00 55.73 54.69 2k1s s ARG 15 Cb 0.12 -5.28 0.00 0.00 -1.56 0.00 0.00 34.95 28.23 2k1s s ARG 15 CO 0.17 -3.32 0.00 0.41 -0.81 0.00 0.00 175.30 171.75 2k1s n GLY 16 N 6.07 1.68 0.24 8.12 0.00 -1.26 -5.00 105.19 115.04 2k1s n GLY 16 Ca 0.43 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.48 2k1s n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k1s n THR 17 N -0.71 0.18 0.00 2.61 -2.24 -1.03 -4.98 114.28 108.11 2k1s n THR 17 Ca 0.00 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2k1s n THR 17 Cb 0.00 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 2k1s n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k1s n GLY 18 N 0.25 2.96 3.67 3.38 0.00 -1.26 -4.90 105.19 109.29 2k1s n GLY 18 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2k1s n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1s s VAL 19 N -1.67 3.59 -0.24 1.61 1.01 -1.26 -4.73 120.40 118.71 2k1s s VAL 19 Ca 0.00 0.78 -0.13 0.00 0.00 0.00 0.00 61.98 62.63 2k1s s VAL 19 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2k1s s VAL 19 CO 0.00 -0.06 0.27 -0.44 0.00 0.00 0.00 175.10 174.87 2k1s s SER 20 N 3.02 6.20 -0.62 3.32 0.01 -1.01 -4.73 113.70 119.89 2k1s s SER 20 Ca 0.71 0.22 -0.18 0.00 1.31 0.00 0.00 55.95 58.01 2k1s s SER 20 Cb -0.33 -2.16 0.11 0.00 0.21 0.00 0.00 66.02 63.86 2k1s s SER 20 CO 0.28 -0.04 0.72 -0.69 0.41 0.00 0.00 173.24 173.92 2k1s s VAL 21 N 1.46 4.88 -0.22 3.43 1.01 -1.26 -0.41 120.40 129.29 2k1s s VAL 21 Ca 0.12 -1.15 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 2k1s s VAL 21 Cb -0.15 -4.50 -0.05 0.00 0.00 0.00 0.00 36.38 31.68 2k1s s VAL 21 CO 0.08 -1.13 0.19 -0.89 0.00 0.00 0.00 175.10 173.34 2k1s s THR 22 N 2.47 5.35 -0.14 3.92 2.01 0.67 -4.91 115.64 125.01 2k1s s THR 22 Ca 0.13 0.27 -0.20 0.00 0.31 0.00 0.00 61.69 62.19 2k1s s THR 22 Cb -0.23 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2k1s s THR 22 CO 0.04 0.36 0.57 -0.60 -0.69 0.00 0.00 174.62 174.30 2k1s s ARG 23 N 0.89 4.31 -0.45 4.92 6.06 -1.26 0.19 118.95 133.60 2k1s s ARG 23 Ca 0.10 0.58 0.03 0.00 -2.50 0.00 0.00 55.73 53.94 2k1s s ARG 23 Cb -0.13 -3.49 0.13 0.00 0.06 0.00 0.00 34.95 31.52 2k1s s ARG 23 CO 0.03 0.00 0.22 0.45 -2.50 0.00 0.00 175.30 173.50 2k1s s SER 24 N 0.87 4.03 0.80 -2.12 0.15 0.35 -4.97 113.70 112.82 2k1s s SER 24 Ca 0.29 -2.68 0.00 0.00 0.70 0.00 0.00 55.95 54.26 2k1s s SER 24 Cb -0.16 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 2k1s s SER 24 CO 0.12 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2k1s n GLY 25 N 3.52 1.44 0.54 9.45 0.00 -1.26 -1.06 105.19 117.82 2k1s n GLY 25 Ca 0.06 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.26 2k1s n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k1s n ASP 26 N 8.76 2.38 -4.41 1.61 8.00 -1.26 -5.01 116.55 126.62 2k1s n ASP 26 Ca 0.00 -3.45 -0.33 0.00 0.71 0.00 0.00 54.79 51.71 2k1s n ASP 26 Cb 0.00 -0.51 -0.14 0.00 -0.02 0.00 0.00 41.12 40.45 2k1s n ASP 26 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2k1s s ASN 27 N -2.81 4.20 -0.44 -2.24 0.01 -0.22 -4.37 114.94 109.07 2k1s s ASN 27 Ca 0.37 -0.26 -0.15 0.00 -0.71 0.00 0.00 52.86 52.11 2k1s s ASN 27 Cb 0.34 -1.57 0.05 0.00 0.41 0.00 0.00 41.25 40.47 2k1s s ASN 27 CO 0.00 0.19 0.34 -0.63 -1.51 0.00 0.00 177.10 175.49 2k1s s ILE 28 N 0.22 5.18 -0.46 0.60 1.01 0.39 -0.49 121.20 127.66 2k1s s ILE 28 Ca -0.07 -0.89 -0.17 0.00 0.00 0.00 0.00 60.65 59.52 2k1s s ILE 28 Cb -0.15 -4.00 0.04 0.00 0.01 0.00 0.00 42.46 38.37 2k1s s ILE 28 CO 0.05 -0.44 0.46 -0.63 0.00 0.00 0.00 174.94 174.37 2k1s s ILE 29 N 1.65 5.09 -0.56 2.92 1.01 0.13 0.12 121.20 131.56 2k1s s ILE 29 Ca 0.04 -0.61 -0.22 0.00 0.00 0.00 0.00 60.65 59.86 2k1s s ILE 29 Cb -0.22 -4.12 0.05 0.00 0.01 0.00 0.00 42.46 38.19 2k1s s ILE 29 CO 0.08 -0.55 0.86 -0.76 0.00 0.00 0.00 174.94 174.57 2k1s s LEU 30 N 2.08 4.40 -0.78 2.97 1.02 0.57 -0.24 118.68 128.70 2k1s s LEU 30 Ca 0.10 -0.64 -0.26 0.00 0.02 0.00 0.00 54.13 53.35 2k1s s LEU 30 Cb -0.20 -2.64 0.02 0.00 0.02 0.00 0.00 46.19 43.39 2k1s s LEU 30 CO 0.11 -1.19 1.44 0.20 0.02 0.00 0.00 176.35 176.94 2k1s s ASN 31 N 2.99 6.02 -0.40 2.29 -0.87 0.45 -1.22 114.94 124.20 2k1s s ASN 31 Ca 0.24 -0.51 -0.24 0.00 -1.57 0.00 0.00 52.86 50.79 2k1s s ASN 31 Cb -0.15 -2.56 0.02 0.00 -0.02 0.00 0.00 41.25 38.54 2k1s s ASN 31 CO 0.15 -1.92 0.82 -0.04 -2.57 0.00 0.00 177.10 173.55 2k1s s MET 32 N 5.89 3.67 0.17 -0.60 -1.94 -0.09 -2.39 119.30 124.01 2k1s s MET 32 Ca 0.44 0.25 -0.30 0.00 -1.71 0.00 0.00 55.69 54.37 2k1s s MET 32 Cb -0.07 -3.85 -0.08 0.00 2.01 0.00 0.00 34.83 32.84 2k1s s MET 32 CO 0.11 -0.97 1.21 -2.14 -0.01 0.00 0.00 175.02 173.21 2k1s s PRO 33 N 3.29 4.48 0.33 2.03 0.02 -1.26 -2.84 135.00 141.04 2k1s s PRO 33 Ca 0.33 1.88 0.25 0.00 0.02 0.00 0.00 61.00 63.47 2k1s s PRO 33 Cb -0.12 -3.25 1.18 0.00 0.02 0.00 0.00 34.50 32.33 2k1s s PRO 33 CO 0.20 -0.12 1.75 -2.95 -0.33 0.00 0.00 177.00 175.55 2k1s h ASN 34 N 5.41 0.00 -0.31 2.53 -1.07 -1.91 -1.47 115.58 118.77 2k1s h ASN 34 Ca -0.44 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 55.76 2k1s h ASN 34 Cb 1.21 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.46 2k1s h ASN 34 CO 0.75 0.00 -0.46 0.78 0.07 0.00 0.00 177.43 178.57 2k1s h ASN 35 N 0.00 0.94 0.00 6.14 2.35 -1.91 -3.28 115.58 119.82 2k1s h ASN 35 Ca 0.00 -0.51 -0.39 0.00 -0.55 0.00 0.00 56.30 54.85 2k1s h ASN 35 Cb 0.20 -0.27 -0.07 0.00 0.05 0.00 0.00 38.32 38.24 2k1s h ASN 35 CO 0.00 1.27 -2.44 1.33 -1.65 0.00 0.00 177.43 175.94 2k1s n VAL 36 N -4.07 1.44 0.18 2.81 0.24 -0.92 -4.72 118.33 113.29 2k1s n VAL 36 Ca -0.04 -0.51 -0.07 0.00 -2.04 0.00 0.00 64.34 61.68 2k1s n VAL 36 Cb 0.58 -1.49 -0.03 0.00 -1.47 0.00 0.00 33.84 31.43 2k1s n VAL 36 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2k1s h THR 37 N -0.22 0.00 -4.92 3.34 2.02 -1.47 -2.33 112.91 109.32 2k1s h THR 37 Ca -0.58 -0.20 -0.20 0.00 0.77 0.00 0.00 66.41 66.20 2k1s h THR 37 Cb 1.80 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2k1s h THR 37 CO -0.16 0.00 -0.05 0.49 0.37 0.00 0.00 175.52 176.17 2k1s n PHE 38 N -3.83 -2.29 -2.58 3.16 3.72 -1.24 -3.60 117.46 110.80 2k1s n PHE 38 Ca -0.06 -0.84 -0.27 0.00 -0.05 0.00 0.00 57.45 56.23 2k1s n PHE 38 Cb 0.19 -0.20 0.01 0.00 -0.94 0.00 0.00 39.48 38.54 2k1s n PHE 38 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k1s s ASP 39 N -2.35 5.95 0.66 4.37 2.15 0.14 -4.48 116.67 123.11 2k1s s ASP 39 Ca 0.20 0.77 0.44 0.00 0.43 0.00 0.00 52.55 54.40 2k1s s ASP 39 Cb -0.02 -1.96 2.40 0.00 -0.30 0.00 0.00 42.92 43.05 2k1s s ASP 39 CO 0.13 -0.79 2.37 0.28 -0.17 0.00 0.00 175.17 176.99 2k1s h SER 40 N 0.08 0.00 -4.04 -0.34 0.02 -1.90 -3.42 113.55 103.96 2k1s h SER 40 Ca -0.46 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 59.95 2k1s h SER 40 Cb 1.23 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.56 2k1s h SER 40 CO 0.61 0.00 -0.81 -0.55 -1.14 0.00 0.00 176.83 174.94 2k1s s SER 41 N -5.22 2.51 0.65 3.07 0.15 -1.26 -5.10 113.70 108.51 2k1s s SER 41 Ca -0.05 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.87 2k1s s SER 41 Cb 0.13 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 2k1s s SER 41 CO 0.42 0.02 0.00 -1.20 1.20 0.00 0.00 173.24 173.68 2k1s n SER 42 N 0.88 -4.38 -2.25 5.45 7.64 -1.26 -3.99 113.62 115.71 2k1s n SER 42 Ca -0.18 0.11 -0.30 0.00 1.01 0.00 0.00 58.87 59.51 2k1s n SER 42 Cb 0.55 -0.31 0.11 0.00 -1.01 0.00 0.00 64.21 63.55 2k1s n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k1s n ALA 43 N -0.19 6.00 -2.54 -0.43 0.00 -1.26 -4.70 120.51 117.39 2k1s n ALA 43 Ca 0.00 -3.29 -0.43 0.00 0.00 0.00 0.00 53.44 49.72 2k1s n ALA 43 Cb 0.05 -1.59 -0.02 0.00 0.00 0.00 0.00 19.45 17.88 2k1s n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k1s s THR 44 N -4.28 4.07 -0.38 0.00 2.01 -1.26 -4.94 115.64 110.87 2k1s s THR 44 Ca 0.61 1.05 -0.26 0.00 0.31 0.00 0.00 61.69 63.40 2k1s s THR 44 Cb 0.49 -4.56 0.02 0.00 0.01 0.00 0.00 72.50 68.46 2k1s s THR 44 CO 0.03 -1.07 0.96 -0.76 -0.69 0.00 0.00 174.62 173.08 2k1s s LEU 45 N 4.88 3.96 0.39 4.42 1.43 -1.26 -0.68 118.68 131.81 2k1s s LEU 45 Ca 0.49 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 54.19 2k1s s LEU 45 Cb -0.08 -3.31 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 2k1s s LEU 45 CO 0.30 -0.90 0.59 -1.59 0.23 0.00 0.00 176.35 174.98 2k1s s LYS 46 N 3.58 3.27 0.33 1.70 -2.85 -1.25 -4.81 119.74 119.70 2k1s s LYS 46 Ca 0.39 -0.47 0.11 0.00 -1.00 0.00 0.00 55.97 55.00 2k1s s LYS 46 Cb -0.11 -2.64 1.00 0.00 -2.06 0.00 0.00 37.83 34.01 2k1s s LYS 46 CO 0.20 -0.04 1.62 -1.35 0.10 0.00 0.00 175.35 175.88 2k1s h PRO 47 N 0.62 0.15 -0.19 1.78 0.11 -1.94 0.29 132.00 132.82 2k1s h PRO 47 Ca -0.48 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.63 2k1s h PRO 47 Cb 1.24 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2k1s h PRO 47 CO 0.59 0.10 0.10 0.00 -0.21 0.00 0.00 178.00 178.57 2k1s h ALA 48 N 1.89 0.22 -0.25 -0.75 0.00 -1.91 0.17 119.26 118.64 2k1s h ALA 48 Ca 0.69 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.44 2k1s h ALA 48 Cb 1.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2k1s h ALA 48 CO -0.72 -0.32 -0.50 0.78 0.00 0.00 0.00 179.25 178.49 2k1s h GLY 49 N 0.20 0.86 1.00 0.00 0.00 -0.12 -1.83 103.07 103.19 2k1s h GLY 49 Ca 0.08 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 46.39 2k1s h GLY 49 CO -0.05 0.91 0.44 0.00 0.00 0.00 0.00 176.54 177.84 2k1s h ALA 50 N 0.65 0.86 -0.53 3.60 0.00 -0.45 0.11 119.26 123.50 2k1s h ALA 50 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k1s h ALA 50 Cb 1.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2k1s h ALA 50 CO 0.11 0.30 0.26 -0.97 0.00 0.00 0.00 179.25 178.94 2k1s h ASN 51 N 0.92 0.69 -0.29 0.00 -1.24 -0.61 0.74 115.58 115.78 2k1s h ASN 51 Ca 0.25 -0.13 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 2k1s h ASN 51 Cb -0.08 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 38.77 2k1s h ASN 51 CO -0.05 0.62 0.16 0.74 -1.29 0.00 0.00 177.43 177.62 2k1s h THR 52 N 0.71 1.12 -0.55 -3.57 2.02 -0.74 0.35 112.91 112.24 2k1s h THR 52 Ca 0.18 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 66.98 2k1s h THR 52 Cb 0.11 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2k1s h THR 52 CO -0.02 0.12 0.01 -0.07 0.37 0.00 0.00 175.52 175.92 2k1s h LEU 53 N 0.36 0.91 -0.96 2.58 3.38 -0.61 -0.91 115.31 120.05 2k1s h LEU 53 Ca 0.10 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 2k1s h LEU 53 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2k1s h LEU 53 CO -0.02 0.96 0.04 0.74 0.09 0.00 0.00 178.44 180.25 2k1s h THR 54 N 0.87 1.24 -0.51 0.22 2.02 -0.57 0.25 112.91 116.43 2k1s h THR 54 Ca 0.16 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 2k1s h THR 54 Cb 0.50 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2k1s h THR 54 CO 0.02 0.34 0.22 1.23 0.37 0.00 0.00 175.52 177.70 2k1s h GLY 55 N 0.97 0.80 0.99 2.16 0.00 -0.41 0.12 103.07 107.70 2k1s h GLY 55 Ca 0.15 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2k1s h GLY 55 CO 0.01 0.39 -0.11 -2.08 0.00 0.00 0.00 176.54 174.75 2k1s h VAL 56 N 0.68 0.77 -0.20 4.60 2.07 -0.64 -2.76 116.25 120.76 2k1s h VAL 56 Ca 0.17 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 2k1s h VAL 56 Cb 0.16 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2k1s h VAL 56 CO -0.02 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.63 2k1s h ALA 57 N 0.43 1.73 0.06 1.67 0.00 -0.36 0.42 119.26 123.21 2k1s h ALA 57 Ca -0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k1s h ALA 57 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k1s h ALA 57 CO 0.05 0.22 -0.03 1.98 0.00 0.00 0.00 179.25 181.47 2k1s h MET 58 N 0.28 -0.08 -0.01 0.00 -1.53 -0.58 0.33 114.93 113.33 2k1s h MET 58 Ca 0.07 0.01 -0.15 0.00 -3.44 0.00 0.00 59.70 56.18 2k1s h MET 58 Cb 0.10 0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.15 2k1s h MET 58 CO -0.00 0.01 -0.71 0.28 0.14 0.00 0.00 176.91 176.62 2k1s h VAL 59 N -0.16 1.49 -0.30 -5.77 2.07 -1.14 -2.38 116.25 110.05 2k1s h VAL 59 Ca -0.01 -2.38 -0.10 0.00 0.82 0.00 0.00 66.70 65.03 2k1s h VAL 59 Cb 0.13 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 2k1s h VAL 59 CO 0.01 0.68 -0.24 0.25 0.02 0.00 0.00 177.57 178.30 2k1s h LEU 60 N 0.04 0.58 -0.65 2.57 7.12 0.05 -0.48 115.31 124.55 2k1s h LEU 60 Ca -0.01 -0.20 -0.13 0.00 0.13 0.00 0.00 57.88 57.67 2k1s h LEU 60 Cb 1.26 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 41.21 2k1s h LEU 60 CO 0.10 0.82 -0.61 0.50 -0.13 0.00 0.00 178.44 179.11 2k1s h LYS 61 N 0.51 0.00 -0.07 1.25 3.64 -0.23 -2.03 116.57 119.64 2k1s h LYS 61 Ca 0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2k1s h LYS 61 Cb 0.69 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2k1s h LYS 61 CO 0.05 0.61 -0.00 1.49 -2.27 0.00 0.00 179.45 179.33 2k1s h GLU 62 N 0.00 0.12 -3.07 1.90 4.57 -0.88 -3.37 114.58 113.85 2k1s h GLU 62 Ca -0.01 -0.04 -0.62 0.00 -1.18 0.00 0.00 59.36 57.52 2k1s h GLU 62 Cb 1.16 -0.01 -0.42 0.00 -0.16 0.00 0.00 28.75 29.33 2k1s h GLU 62 CO 0.08 0.39 -0.60 0.71 -1.18 0.00 0.00 179.01 178.42 2k1s s TYR 63 N -4.96 3.42 -1.39 0.92 2.02 -0.24 -4.94 117.35 112.18 2k1s s TYR 63 Ca -0.15 -3.28 0.03 0.00 -0.37 0.00 0.00 57.07 53.30 2k1s s TYR 63 Cb 0.04 -2.63 0.11 0.00 -0.40 0.00 0.00 41.96 39.08 2k1s s TYR 63 CO 0.69 -0.57 0.86 -0.35 -1.57 0.00 0.00 175.55 174.60 2k1s n PRO 64 N 2.10 1.42 -0.20 -1.71 -0.04 -0.77 -3.87 135.00 131.93 2k1s n PRO 64 Ca 0.19 -0.42 0.03 0.00 -0.04 0.00 0.00 63.50 63.26 2k1s n PRO 64 Cb 0.35 -1.38 0.12 0.00 -0.04 0.00 0.00 33.50 32.56 2k1s n PRO 64 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k1s n LYS 65 N -0.03 1.88 -4.63 0.54 4.01 -1.26 -4.77 118.16 113.90 2k1s n LYS 65 Ca 0.04 -0.98 -0.33 0.00 -0.51 0.00 0.00 58.31 56.52 2k1s n LYS 65 Cb 0.25 -1.42 -0.13 0.00 -0.51 0.00 0.00 35.03 33.23 2k1s n LYS 65 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2k1s s THR 66 N -1.64 3.46 -0.02 -0.18 -4.23 -1.25 -0.72 115.64 111.05 2k1s s THR 66 Ca 0.18 -0.53 -0.30 0.00 -1.18 0.00 0.00 61.69 59.86 2k1s s THR 66 Cb 0.11 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 2k1s s THR 66 CO 0.09 0.53 0.99 0.00 -0.54 0.00 0.00 174.62 175.69 2k1s s ALA 67 N 0.11 3.22 -0.55 3.99 0.00 0.22 -4.84 121.76 123.91 2k1s s ALA 67 Ca -0.04 0.50 -0.19 0.00 0.00 0.00 0.00 51.96 52.23 2k1s s ALA 67 Cb -0.14 -3.36 0.07 0.00 0.00 0.00 0.00 23.12 19.69 2k1s s ALA 67 CO 0.04 -0.32 0.68 0.08 0.00 0.00 0.00 175.76 176.24 2k1s s VAL 68 N 1.24 4.81 -0.47 0.00 1.01 -1.06 -2.12 120.40 123.80 2k1s s VAL 68 Ca 0.51 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 2k1s s VAL 68 Cb -0.20 -4.40 0.05 0.00 0.00 0.00 0.00 36.38 31.83 2k1s s VAL 68 CO 0.26 -0.97 0.51 0.20 0.00 0.00 0.00 175.10 175.10 2k1s s ASN 69 N 3.09 6.20 -0.50 3.32 0.01 -0.69 0.09 114.94 126.46 2k1s s ASN 69 Ca 0.15 -0.90 -0.13 0.00 -0.71 0.00 0.00 52.86 51.26 2k1s s ASN 69 Cb -0.21 -2.25 0.11 0.00 0.41 0.00 0.00 41.25 39.32 2k1s s ASN 69 CO 0.10 -0.73 0.42 -0.69 -1.51 0.00 0.00 177.10 174.69 2k1s s VAL 70 N 2.26 4.84 -0.29 1.60 1.01 0.59 -0.23 120.40 130.18 2k1s s VAL 70 Ca 0.12 -1.50 -0.07 0.00 0.00 0.00 0.00 61.98 60.52 2k1s s VAL 70 Cb -0.19 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2k1s s VAL 70 CO 0.12 -0.77 0.09 -0.63 0.00 0.00 0.00 175.10 173.91 2k1s s ILE 71 N 1.52 4.13 -0.45 2.22 1.01 -0.66 -1.56 121.20 127.42 2k1s s ILE 71 Ca 0.04 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 59.90 2k1s s ILE 71 Cb -0.27 -3.10 0.03 0.00 0.01 0.00 0.00 42.46 39.12 2k1s s ILE 71 CO 0.02 0.11 0.67 -0.83 0.00 0.00 0.00 174.94 174.91 2k1s s GLY 72 N 1.54 1.69 0.17 6.18 0.00 -0.16 -1.67 107.32 115.07 2k1s s GLY 72 Ca 0.03 -1.24 -0.05 0.00 0.00 0.00 0.00 44.72 43.46 2k1s s GLY 72 CO 0.03 1.59 0.42 -0.19 0.00 0.00 0.00 173.10 174.95 2k1s s TYR 73 N 2.92 3.47 -0.23 1.90 2.02 0.21 -2.71 117.35 124.92 2k1s s TYR 73 Ca 0.23 0.60 -0.27 0.00 -0.37 0.00 0.00 57.07 57.26 2k1s s TYR 73 Cb -0.14 -2.04 0.11 0.00 -0.40 0.00 0.00 41.96 39.48 2k1s s TYR 73 CO 0.19 0.38 0.95 -0.08 -1.57 0.00 0.00 175.55 175.41 2k1s s THR 74 N -1.74 0.00 0.57 -0.71 -1.32 -1.25 -1.95 115.64 109.25 2k1s s THR 74 Ca 0.42 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.70 2k1s s THR 74 Cb -0.12 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.83 2k1s s THR 74 CO 0.25 0.00 1.27 -0.62 -2.21 0.00 0.00 174.62 173.31 2k1s s ASP 75 N -0.16 5.22 0.00 8.08 2.15 -1.26 -2.95 116.67 127.75 2k1s s ASP 75 Ca 0.00 2.55 0.26 0.00 0.43 0.00 0.00 52.55 55.79 2k1s s ASP 75 Cb -0.04 -2.62 0.62 0.00 -0.30 0.00 0.00 42.92 40.59 2k1s s ASP 75 CO -0.02 -1.58 1.50 -0.24 -0.17 0.00 0.00 175.17 174.65 2k1s n SER 76 N -1.32 0.43 -4.79 -0.34 2.88 -1.26 -4.86 113.62 104.36 2k1s n SER 76 Ca 0.12 -0.14 -0.38 0.00 -1.33 0.00 0.00 58.87 57.14 2k1s n SER 76 Cb 0.48 0.13 -0.06 0.00 -0.75 0.00 0.00 64.21 64.01 2k1s n SER 76 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2k1s s THR 77 N -2.99 4.36 0.00 2.46 -1.32 -1.26 -4.21 115.64 112.68 2k1s s THR 77 Ca 0.12 1.64 0.00 0.00 -1.21 0.00 0.00 61.69 62.24 2k1s s THR 77 Cb 0.18 -4.05 0.00 0.00 -1.51 0.00 0.00 72.50 67.12 2k1s s THR 77 CO 0.67 0.34 0.00 0.61 -2.21 0.00 0.00 174.62 174.04 2k1s n GLY 78 N 1.10 1.50 2.89 6.08 0.00 -1.26 -4.88 105.19 110.61 2k1s n GLY 78 Ca -0.03 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 2k1s n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1s s GLY 79 N 0.00 1.49 0.00 -0.02 0.00 -1.26 -5.04 107.32 102.49 2k1s s GLY 79 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 42.70 2k1s s GLY 79 CO 0.00 1.22 0.94 1.42 0.00 0.00 0.00 173.10 176.68 2k1s n HIS 80 N 4.55 0.00 0.15 1.90 -0.00 -1.26 0.61 115.22 121.17 2k1s n HIS 80 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2k1s n HIS 80 Cb 0.42 -0.44 0.25 0.00 -0.00 0.00 0.00 29.99 30.23 2k1s n HIS 80 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 2k1s h ASP 81 N 0.00 0.06 -0.20 0.41 2.03 -1.96 -2.68 116.42 114.08 2k1s h ASP 81 Ca 0.00 -0.03 -0.02 0.00 -0.73 0.00 0.00 57.03 56.25 2k1s h ASP 81 Cb 0.00 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.48 2k1s h ASP 81 CO 0.00 0.53 0.03 0.25 -1.03 0.00 0.00 179.24 179.03 2k1s h LEU 82 N 0.04 0.31 -1.35 0.15 7.12 -1.90 0.28 115.31 119.96 2k1s h LEU 82 Ca -0.00 -0.26 -0.01 0.00 0.13 0.00 0.00 57.88 57.74 2k1s h LEU 82 Cb 0.87 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.89 2k1s h LEU 82 CO 0.07 0.49 0.25 0.78 -0.13 0.00 0.00 178.44 179.89 2k1s h ASN 83 N 0.12 0.62 -0.16 1.25 4.21 0.24 0.52 115.58 122.38 2k1s h ASN 83 Ca 0.06 -0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.50 2k1s h ASN 83 Cb 0.31 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 2k1s h ASN 83 CO 0.00 0.52 0.03 0.24 -1.29 0.00 0.00 177.43 176.93 2k1s h MET 84 N 0.70 0.27 -0.21 0.81 2.86 -1.07 -1.37 114.93 116.92 2k1s h MET 84 Ca 0.18 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.78 2k1s h MET 84 Cb 0.06 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 2k1s h MET 84 CO -0.03 0.44 0.03 0.00 1.06 0.00 0.00 176.91 178.42 2k1s h ARG 85 N 0.06 0.11 -0.55 1.72 3.08 0.26 0.16 114.38 119.21 2k1s h ARG 85 Ca 0.05 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 2k1s h ARG 85 Cb 0.30 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2k1s h ARG 85 CO 0.00 0.07 0.12 1.25 -1.07 0.00 0.00 179.97 180.35 2k1s h LEU 86 N 0.11 0.85 -0.59 3.04 5.85 -0.91 0.14 115.31 123.80 2k1s h LEU 86 Ca 0.10 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 2k1s h LEU 86 Cb 0.10 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2k1s h LEU 86 CO -0.14 0.87 -0.30 0.28 -0.34 0.00 0.00 178.44 178.81 2k1s h SER 87 N 0.79 0.82 -0.63 1.25 0.02 -1.03 0.12 113.55 114.89 2k1s h SER 87 Ca 0.17 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2k1s h SER 87 Cb 0.36 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2k1s h SER 87 CO 0.00 1.06 0.34 -0.61 -1.14 0.00 0.00 176.83 176.49 2k1s h GLN 88 N 0.67 0.88 -0.60 3.45 5.75 -0.33 0.39 115.11 125.32 2k1s h GLN 88 Ca 0.08 -0.11 -0.09 0.00 -0.15 0.00 0.00 58.65 58.38 2k1s h GLN 88 Cb 0.84 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 2k1s h GLN 88 CO 0.07 0.67 0.02 0.37 -2.65 0.00 0.00 178.83 177.31 2k1s h GLN 89 N 0.86 1.05 -0.20 1.69 4.15 -0.45 0.59 115.11 122.80 2k1s h GLN 89 Ca 0.22 -0.33 0.01 0.00 0.77 0.00 0.00 58.65 59.33 2k1s h GLN 89 Cb 0.05 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2k1s h GLN 89 CO -0.04 1.02 0.11 0.00 -1.93 0.00 0.00 178.83 177.99 2k1s h ARG 90 N 0.95 0.22 -0.81 1.69 3.08 -0.37 0.38 114.38 119.51 2k1s h ARG 90 Ca 0.17 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2k1s h ARG 90 Cb 0.54 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 2k1s h ARG 90 CO 0.03 0.15 0.52 0.00 -1.07 0.00 0.00 179.97 179.60 2k1s h ALA 91 N 1.10 1.03 -0.68 0.04 0.00 -0.74 -1.86 119.26 118.15 2k1s h ALA 91 Ca 0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2k1s h ALA 91 Cb 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2k1s h ALA 91 CO -0.05 0.46 0.15 0.22 0.00 0.00 0.00 179.25 180.04 2k1s h ASP 92 N 1.11 1.02 -0.44 0.00 3.58 -0.34 -1.17 116.42 120.19 2k1s h ASP 92 Ca 0.30 -0.22 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 2k1s h ASP 92 Cb -0.10 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.66 2k1s h ASP 92 CO -0.06 0.99 0.06 -1.28 -2.88 0.00 0.00 179.24 176.07 2k1s h SER 93 N 1.02 0.76 -0.20 2.28 0.87 0.17 0.22 113.55 118.66 2k1s h SER 93 Ca 0.21 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2k1s h SER 93 Cb 0.37 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2k1s h SER 93 CO 0.00 0.79 0.04 0.58 -0.53 0.00 0.00 176.83 177.71 2k1s h VAL 94 N 0.76 1.22 -0.40 2.23 2.07 -0.92 -1.65 116.25 119.56 2k1s h VAL 94 Ca 0.16 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.97 2k1s h VAL 94 Cb 0.37 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2k1s h VAL 94 CO 0.01 0.22 0.24 0.00 0.02 0.00 0.00 177.57 178.07 2k1s h ALA 95 N 0.84 0.51 -0.73 1.67 0.00 -0.81 -2.02 119.26 118.72 2k1s h ALA 95 Ca 0.06 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2k1s h ALA 95 Cb 0.31 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2k1s h ALA 95 CO 0.00 -0.08 0.48 0.77 0.00 0.00 0.00 179.25 180.42 2k1s h SER 96 N 0.50 0.78 -0.70 0.00 0.02 -0.49 0.17 113.55 113.82 2k1s h SER 96 Ca 0.16 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2k1s h SER 96 Cb -0.01 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 2k1s h SER 96 CO -0.06 0.54 0.30 0.00 -1.14 0.00 0.00 176.83 176.47 2k1s h ALA 97 N 1.57 0.91 -0.43 3.77 0.00 -0.70 -0.57 119.26 123.80 2k1s h ALA 97 Ca 0.28 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2k1s h ALA 97 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2k1s h ALA 97 CO -0.08 0.50 -0.22 -0.07 0.00 0.00 0.00 179.25 179.39 2k1s h LEU 98 N 0.99 0.95 -1.89 0.00 3.38 -0.54 -2.54 115.31 115.65 2k1s h LEU 98 Ca 0.24 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2k1s h LEU 98 Cb 0.17 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2k1s h LEU 98 CO -0.02 1.14 -0.07 0.40 0.09 0.00 0.00 178.44 179.98 2k1s h ILE 99 N 0.75 1.01 -0.05 1.22 2.04 -0.41 -0.99 117.51 121.08 2k1s h ILE 99 Ca 0.10 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 2k1s h ILE 99 Cb 0.79 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2k1s h ILE 99 CO 0.07 0.07 -0.23 0.74 0.00 0.00 0.00 178.15 178.79 2k1s h THR 100 N 0.00 1.19 0.00 -0.27 2.02 -0.66 -2.53 112.91 112.65 2k1s h THR 100 Ca -0.00 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.29 2k1s h THR 100 Cb 0.12 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2k1s h THR 100 CO 0.01 0.26 -0.50 1.56 0.37 0.00 0.00 175.52 177.21 2k1s h GLN 101 N 0.07 0.00 0.00 6.66 1.08 -1.13 -3.47 115.11 118.32 2k1s h GLN 101 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2k1s h GLN 101 Cb 0.45 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2k1s h GLN 101 CO 0.03 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.32 2k1s n GLY 102 N 1.18 1.83 3.78 3.46 0.00 -0.95 -5.04 105.19 109.45 2k1s n GLY 102 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2k1s n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1s s VAL 103 N -1.83 5.08 0.27 1.61 1.01 -0.89 -4.99 120.40 120.65 2k1s s VAL 103 Ca 0.00 0.91 -0.31 0.00 0.00 0.00 0.00 61.98 62.58 2k1s s VAL 103 Cb 0.00 -3.77 -0.12 0.00 0.00 0.00 0.00 36.38 32.49 2k1s s VAL 103 CO 0.00 0.47 1.62 0.47 0.00 0.00 0.00 175.10 177.66 2k1s n ASP 104 N 2.63 3.83 0.09 3.32 9.92 -1.26 -4.07 116.55 131.00 2k1s n ASP 104 Ca -0.11 1.12 0.03 0.00 -0.53 0.00 0.00 54.79 55.30 2k1s n ASP 104 Cb 0.52 -1.58 0.40 0.00 -0.64 0.00 0.00 41.12 39.82 2k1s n ASP 104 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k1s h ALA 105 N 5.32 1.55 -0.04 2.24 0.00 -1.95 -1.10 119.26 125.27 2k1s h ALA 105 Ca -0.46 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2k1s h ALA 105 Cb 1.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k1s h ALA 105 CO 0.84 0.33 0.00 0.43 0.00 0.00 0.00 179.25 180.84 2k1s n SER 106 N -4.33 0.96 -0.63 0.00 7.64 -1.26 -2.93 113.62 113.07 2k1s n SER 106 Ca 0.00 -1.41 0.12 0.00 1.01 0.00 0.00 58.87 58.59 2k1s n SER 106 Cb 0.22 -0.02 0.19 0.00 -1.01 0.00 0.00 64.21 63.58 2k1s n SER 106 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2k1s n ARG 107 N -0.22 1.66 -5.22 1.43 0.63 -0.42 -4.88 116.66 109.64 2k1s n ARG 107 Ca 0.19 -1.27 -0.32 0.00 -0.92 0.00 0.00 57.85 55.53 2k1s n ARG 107 Cb 0.25 -1.47 -0.16 0.00 0.45 0.00 0.00 32.46 31.52 2k1s n ARG 107 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2k1s s ILE 108 N -2.21 2.17 -0.33 5.15 1.01 -1.15 -2.57 121.20 123.27 2k1s s ILE 108 Ca 0.27 -1.03 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 2k1s s ILE 108 Cb 0.20 -1.79 0.06 0.00 0.01 0.00 0.00 42.46 40.93 2k1s s ILE 108 CO 0.42 0.57 0.06 -0.60 0.00 0.00 0.00 174.94 175.39 2k1s s ARG 109 N -0.20 2.42 -0.19 2.79 6.06 0.11 -4.97 118.95 124.97 2k1s s ARG 109 Ca -0.02 -1.32 -0.09 0.00 -2.50 0.00 0.00 55.73 51.80 2k1s s ARG 109 Cb -0.13 -3.32 -0.05 0.00 0.06 0.00 0.00 34.95 31.51 2k1s s ARG 109 CO 0.03 -0.70 0.10 0.95 -2.50 0.00 0.00 175.30 173.18 2k1s s THR 110 N 1.28 5.13 -0.02 4.11 -4.23 -1.26 -0.30 115.64 120.35 2k1s s THR 110 Ca -0.02 0.09 -0.12 0.00 -1.18 0.00 0.00 61.69 60.45 2k1s s THR 110 Cb -0.20 -3.32 0.02 0.00 1.34 0.00 0.00 72.50 70.34 2k1s s THR 110 CO -0.00 0.46 0.27 0.00 -0.54 0.00 0.00 174.62 174.81 2k1s s GLN 111 N 0.25 0.58 -0.72 3.99 -2.07 -0.60 -4.99 119.66 116.11 2k1s s GLN 111 Ca 0.06 -0.16 0.02 0.00 -1.82 0.00 0.00 55.36 53.47 2k1s s GLN 111 Cb -0.12 0.26 0.36 0.00 -1.09 0.00 0.00 33.01 32.42 2k1s s GLN 111 CO -0.01 -0.15 1.44 0.41 -1.32 0.00 0.00 175.29 175.67 2k1s n GLY 112 N 1.54 5.83 2.71 2.60 0.00 -1.26 -0.99 105.19 115.62 2k1s n GLY 112 Ca -0.21 -2.67 -0.42 0.00 0.00 0.00 0.00 46.02 42.73 2k1s n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k1s n LEU 113 N -0.32 7.11 0.02 0.99 4.77 -1.19 -4.76 117.00 123.63 2k1s n LEU 113 Ca 0.42 -4.44 -0.01 0.00 -0.03 0.00 0.00 56.01 51.95 2k1s n LEU 113 Cb 0.39 -1.55 -0.00 0.00 -2.33 0.00 0.00 43.42 39.93 2k1s n LEU 113 CO 0.42 1.42 0.38 1.23 -1.33 0.00 0.00 177.39 179.51 2k1s h GLY 114 N 8.38 -0.06 1.99 -0.72 0.00 -1.76 -3.28 103.07 107.63 2k1s h GLY 114 Ca 0.55 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2k1s h GLY 114 CO 1.74 -0.02 0.00 -1.05 0.00 0.00 0.00 176.54 177.20 2k1s n PRO 115 N -2.20 0.01 -3.59 4.80 -0.02 -1.15 -3.83 135.00 129.01 2k1s n PRO 115 Ca -0.01 0.27 -0.34 0.00 -2.02 0.00 0.00 63.50 61.40 2k1s n PRO 115 Cb 0.02 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 2k1s n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k1s s ALA 116 N -2.99 3.73 -0.70 3.55 0.00 -1.24 -4.53 121.76 119.59 2k1s s ALA 116 Ca 0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 2k1s s ALA 116 Cb 0.09 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 2k1s s ALA 116 CO 0.24 0.58 0.65 0.09 0.00 0.00 0.00 175.76 177.33 2k1s n ASN 117 N 0.76 -7.00 -4.61 0.00 4.13 -1.26 -4.85 115.26 102.43 2k1s n ASN 117 Ca -0.07 -0.15 -0.43 0.00 1.68 0.00 0.00 54.58 55.61 2k1s n ASN 117 Cb 0.52 -4.82 -0.03 0.00 -1.54 0.00 0.00 39.78 33.92 2k1s n ASN 117 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 2k1s s PRO 118 N -3.19 3.32 0.15 3.52 0.02 -1.26 -4.87 135.00 132.68 2k1s s PRO 118 Ca 0.06 1.78 -0.14 0.00 0.02 0.00 0.00 61.00 62.73 2k1s s PRO 118 Cb -0.01 -4.26 0.02 0.00 0.02 0.00 0.00 34.50 30.27 2k1s s PRO 118 CO 0.67 -1.88 1.66 0.82 -0.33 0.00 0.00 177.00 177.93 2k1s h ILE 119 N 6.85 1.23 -2.94 2.83 2.04 -1.92 -3.47 117.51 122.14 2k1s h ILE 119 Ca -0.38 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 64.68 2k1s h ILE 119 Cb 1.20 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2k1s h ILE 119 CO 0.99 0.29 0.00 0.00 0.00 0.00 0.00 178.15 179.43 2k1s n ALA 120 N -2.37 0.00 -2.31 1.87 0.00 -1.26 -5.10 120.51 111.34 2k1s n ALA 120 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 2k1s n ALA 120 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 2k1s n ALA 120 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k1s s SER 121 N -0.82 6.88 0.00 0.00 0.15 -1.26 -4.87 113.70 113.77 2k1s s SER 121 Ca 0.00 1.86 0.31 0.00 0.70 0.00 0.00 55.95 58.82 2k1s s SER 121 Cb 0.00 -2.54 1.59 0.00 -1.71 0.00 0.00 66.02 63.36 2k1s s SER 121 CO 0.00 -0.79 2.07 0.59 1.20 0.00 0.00 173.24 176.31 2k1s n ASN 122 N 6.56 0.15 0.10 5.45 3.02 -1.26 -3.14 115.26 126.14 2k1s n ASN 122 Ca 0.14 -0.58 0.12 0.00 -0.03 0.00 0.00 54.58 54.24 2k1s n ASN 122 Cb 0.44 -0.13 0.27 0.00 -0.61 0.00 0.00 39.78 39.75 2k1s n ASN 122 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2k1s h SER 123 N 0.20 0.00 -4.07 6.41 0.87 -2.00 -3.45 113.55 111.51 2k1s h SER 123 Ca 0.00 -0.09 -0.69 0.00 -1.23 0.00 0.00 61.79 59.78 2k1s h SER 123 Cb 0.20 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 61.88 2k1s h SER 123 CO 0.00 0.04 -0.84 0.42 -0.53 0.00 0.00 176.83 175.92 2k1s s THR 124 N -3.15 2.43 0.42 2.23 -4.23 -1.19 -5.00 115.64 107.16 2k1s s THR 124 Ca 0.08 -0.94 0.22 0.00 -1.18 0.00 0.00 61.69 59.87 2k1s s THR 124 Cb 0.12 -1.91 0.24 0.00 1.34 0.00 0.00 72.50 72.29 2k1s s THR 124 CO 0.66 0.57 2.03 0.00 -0.54 0.00 0.00 174.62 177.34 2k1s h ALA 125 N 5.83 1.42 -0.29 3.99 0.00 -1.86 -2.33 119.26 126.02 2k1s h ALA 125 Ca -0.37 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 2k1s h ALA 125 Cb 1.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2k1s h ALA 125 CO 0.49 0.20 -0.07 1.49 0.00 0.00 0.00 179.25 181.36 2k1s h GLU 126 N 0.00 0.55 -0.65 0.00 4.81 -1.94 0.19 114.58 117.54 2k1s h GLU 126 Ca -0.00 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 58.96 2k1s h GLU 126 Cb 0.35 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 2k1s h GLU 126 CO 0.02 0.75 0.20 0.78 -0.73 0.00 0.00 179.01 180.04 2k1s h GLY 127 N 0.32 1.09 2.00 1.92 0.00 -1.63 -2.07 103.07 104.70 2k1s h GLY 127 Ca 0.07 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 2k1s h GLY 127 CO 0.03 0.61 -0.31 0.50 0.00 0.00 0.00 176.54 177.36 2k1s h LYS 128 N 0.95 0.00 -0.13 4.80 1.57 -1.38 -0.92 116.57 121.46 2k1s h LYS 128 Ca 0.21 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.89 2k1s h LYS 128 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2k1s h LYS 128 CO -0.01 0.31 -0.37 0.00 -0.57 0.00 0.00 179.45 178.82 2k1s h ALA 129 N 1.69 1.14 0.00 3.86 0.00 -0.42 -2.19 119.26 123.34 2k1s h ALA 129 Ca -0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 2k1s h ALA 129 Cb 0.80 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2k1s h ALA 129 CO 0.04 0.56 -0.77 0.37 0.00 0.00 0.00 179.25 179.45 2k1s h GLN 130 N 0.23 0.00 -0.62 0.00 4.15 -0.81 -3.25 115.11 114.80 2k1s h GLN 130 Ca 0.02 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.38 2k1s h GLN 130 Cb 0.76 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.42 2k1s h GLN 130 CO 0.06 0.77 0.14 -0.97 -1.93 0.00 0.00 178.83 176.91 2k1s h ASN 131 N 0.00 0.92 -1.80 -0.69 -0.73 -0.60 -3.40 115.58 109.28 2k1s h ASN 131 Ca -0.01 -0.18 -0.49 0.00 1.87 0.00 0.00 56.30 57.48 2k1s h ASN 131 Cb 1.41 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 39.75 2k1s h ASN 131 CO 0.10 0.89 1.55 -0.13 -0.37 0.00 0.00 177.43 179.47 2k1s s ARG 132 N -5.24 2.42 0.16 6.67 0.52 -0.90 -4.03 118.95 118.55 2k1s s ARG 132 Ca -0.11 1.38 -0.23 0.00 -0.52 0.00 0.00 55.73 56.25 2k1s s ARG 132 Cb 0.15 -4.50 0.08 0.00 0.52 0.00 0.00 34.95 31.20 2k1s s ARG 132 CO 0.82 -2.92 1.04 -0.98 0.02 0.00 0.00 175.30 173.27 2k1s s ARG 133 N 7.61 1.22 -0.24 3.54 1.70 -0.82 -4.79 118.95 127.17 2k1s s ARG 133 Ca 0.92 -0.76 0.01 0.00 -0.47 0.00 0.00 55.73 55.43 2k1s s ARG 133 Cb -0.19 0.36 0.06 0.00 -0.57 0.00 0.00 34.95 34.61 2k1s s ARG 133 CO 0.27 -0.57 -0.04 0.08 -1.08 0.00 0.00 175.30 173.96 2k1s s VAL 134 N -2.47 1.48 -0.28 4.99 1.01 -1.13 -0.62 120.40 123.38 2k1s s VAL 134 Ca 0.19 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 60.82 2k1s s VAL 134 Cb -0.02 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2k1s s VAL 134 CO 0.04 -0.15 0.17 -1.61 0.00 0.00 0.00 175.10 173.55 2k1s s GLU 135 N 1.41 3.78 -0.46 2.72 2.02 -0.67 -0.92 118.70 126.58 2k1s s GLU 135 Ca -0.04 -0.42 -0.16 0.00 0.02 0.00 0.00 54.97 54.37 2k1s s GLU 135 Cb -0.19 -3.60 0.06 0.00 0.10 0.00 0.00 34.13 30.51 2k1s s GLU 135 CO -0.07 -0.23 0.39 0.42 0.02 0.00 0.00 175.26 175.79 2k1s s ILE 136 N 1.71 5.22 -0.51 -1.63 1.01 -0.36 -1.65 121.20 125.00 2k1s s ILE 136 Ca 0.07 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.53 2k1s s ILE 136 Cb -0.16 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.26 2k1s s ILE 136 CO 0.09 -0.55 0.70 -0.89 0.00 0.00 0.00 174.94 174.29 2k1s s THR 137 N 1.69 4.76 -0.53 2.92 2.01 0.68 -0.32 115.64 126.84 2k1s s THR 137 Ca 0.05 -0.28 -0.23 0.00 0.31 0.00 0.00 61.69 61.54 2k1s s THR 137 Cb -0.23 -4.35 0.04 0.00 0.01 0.00 0.00 72.50 67.97 2k1s s THR 137 CO 0.07 -0.87 0.86 -0.76 -0.69 0.00 0.00 174.62 173.24 2k1s s LEU 138 N 2.95 4.30 -0.05 4.42 1.43 0.12 -1.71 118.68 130.14 2k1s s LEU 138 Ca 0.19 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 2k1s s LEU 138 Cb -0.17 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 2k1s s LEU 138 CO 0.14 -1.13 -0.15 -0.55 0.23 0.00 0.00 176.35 174.88 2k1s s SER 139 N 2.76 3.94 0.13 2.29 0.15 -0.90 -0.46 113.70 121.61 2k1s s SER 139 Ca 0.27 -0.22 -0.35 0.00 0.70 0.00 0.00 55.95 56.35 2k1s s SER 139 Cb -0.14 -0.82 -0.15 0.00 -1.71 0.00 0.00 66.02 63.20 2k1s s SER 139 CO 0.18 0.34 1.47 -2.65 1.20 0.00 0.00 173.24 173.78 2k1s n PRO 140 N 2.34 1.73 -1.50 5.44 -0.02 -1.26 0.72 135.00 142.46 2k1s n PRO 140 Ca -0.17 0.62 -0.51 0.00 -2.02 0.00 0.00 63.50 61.42 2k1s n PRO 140 Cb 0.52 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 2k1s n PRO 140 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2k1s n LEU 141 N 3.02 2.30 0.00 2.45 4.77 0.10 -4.70 117.00 124.94 2k1s n LEU 141 Ca 0.17 0.53 -0.29 0.00 -0.03 0.00 0.00 56.01 56.39 2k1s n LEU 141 Cb 0.25 -1.27 0.24 0.00 -2.33 0.00 0.00 43.42 40.32 2k1s n LEU 141 CO 0.63 -0.64 0.56 0.00 -1.33 0.00 0.00 177.39 176.61 2k1s n LEU 142 N 9.15 0.00 -2.41 2.23 -0.00 -1.26 -4.83 117.00 119.87 2k1s n LEU 142 Ca 0.38 -1.09 -0.16 0.00 -0.00 0.00 0.00 56.01 55.14 2k1s n LEU 142 Cb 0.23 -0.96 -0.11 0.00 -0.00 0.00 0.00 43.42 42.58 2k1s n LEU 142 CO 0.76 -2.18 1.87 -0.62 -0.00 0.00 0.00 177.39 177.23 2k1s n GLU 143 N -4.79 2.06 0.05 1.47 4.71 -1.26 -3.62 120.64 119.26 2k1s n GLU 143 Ca 0.14 -1.13 0.11 0.00 -0.01 0.00 0.00 57.16 56.27 2k1s n GLU 143 Cb 0.57 -2.13 -0.01 0.00 -1.01 0.00 0.00 31.44 28.86 2k1s n GLU 143 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2k1s n HIS 144 N 2.93 0.47 -1.96 -0.32 -0.00 -1.26 -4.89 115.22 110.18 2k1s n HIS 144 Ca 0.44 0.14 -0.37 0.00 0.46 0.00 0.00 57.72 58.39 2k1s n HIS 144 Cb 0.60 -0.63 0.03 0.00 -0.12 0.00 0.00 29.99 29.88 2k1s n HIS 144 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2k1s s HIS 145 N -3.31 2.42 -0.42 1.57 -3.43 -1.24 -4.82 115.29 106.06 2k1s s HIS 145 Ca 0.00 1.47 -0.27 0.00 -0.80 0.00 0.00 55.06 55.47 2k1s s HIS 145 Cb 0.13 -3.59 -0.06 0.00 -1.43 0.00 0.00 32.58 27.62 2k1s s HIS 145 CO 0.81 -2.38 2.37 -1.58 -2.00 0.00 0.00 174.74 171.97 2k1s s HIS 146 N -1.47 1.09 -1.18 0.38 5.65 -1.26 -4.86 115.29 113.64 2k1s s HIS 146 Ca 0.73 1.33 -0.09 0.00 0.25 0.00 0.00 55.06 57.28 2k1s s HIS 146 Cb -0.34 -3.66 0.23 0.00 -1.18 0.00 0.00 32.58 27.63 2k1s s HIS 146 CO 0.39 -2.92 1.47 1.58 -0.65 0.00 0.00 174.74 174.61 2k1s n HIS 147 N 14.93 3.99 0.00 3.88 -0.00 -1.26 -4.94 115.22 131.82 2k1s n HIS 147 Ca 0.35 -3.20 0.00 0.00 -0.00 0.00 0.00 57.72 54.87 2k1s n HIS 147 Cb 0.52 -1.81 0.00 0.00 -0.00 0.00 0.00 29.99 28.71 2k1s n HIS 147 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k1s n HIS 148 N 3.53 0.00 -1.61 1.57 -0.00 -1.26 -5.22 115.22 112.23 2k1s n HIS 148 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 2k1s n HIS 148 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.37 2k1s n HIS 148 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92