#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1s n TYR 2 N 0.00 -0.78 0.42 2.98 4.19 -1.26 -4.94 117.16 117.77 2k1s n TYR 2 Ca 0.00 0.10 0.05 0.00 3.31 0.00 0.00 57.90 61.36 2k1s n TYR 2 Cb 0.00 0.60 0.03 0.00 0.49 0.00 0.00 39.34 40.46 2k1s n TYR 2 CO 0.00 0.00 0.00 -1.33 0.91 0.00 0.00 176.86 176.44 2k1s n MET 3 N -2.65 1.02 0.29 2.98 2.81 -1.26 -4.55 117.12 115.77 2k1s n MET 3 Ca 0.00 -0.92 -0.12 0.00 -1.81 0.00 0.00 57.70 54.85 2k1s n MET 3 Cb 0.00 -1.15 -0.06 0.00 -0.71 0.00 0.00 33.22 31.31 2k1s n MET 3 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 2k1s h ASP 4 N 1.66 -0.64 0.36 7.83 3.04 -1.96 -2.26 116.42 124.45 2k1s h ASP 4 Ca 0.00 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 2k1s h ASP 4 Cb 0.39 0.17 0.00 0.00 -1.04 0.00 0.00 39.33 38.84 2k1s h ASP 4 CO 0.00 -0.41 0.00 1.62 -2.04 0.00 0.00 179.24 178.41 2k1s h VAL 5 N -0.87 0.00 -0.05 4.15 3.04 -1.96 -2.11 116.25 118.44 2k1s h VAL 5 Ca -0.08 -0.13 -0.21 0.00 -1.01 0.00 0.00 66.70 65.27 2k1s h VAL 5 Cb 0.58 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 2k1s h VAL 5 CO 0.13 0.00 -0.85 1.56 -1.01 0.00 0.00 177.57 177.40 2k1s h GLN 6 N 0.00 0.49 -0.21 4.17 7.50 -1.75 0.41 115.11 125.72 2k1s h GLN 6 Ca 0.00 -0.46 -0.14 0.00 0.50 0.00 0.00 58.65 58.55 2k1s h GLN 6 Cb 0.18 0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.82 2k1s h GLN 6 CO 0.00 1.10 -0.47 1.05 -1.50 0.00 0.00 178.83 179.01 2k1s h GLU 7 N 0.31 0.55 -0.59 1.46 4.11 -0.79 -1.31 114.58 118.31 2k1s h GLU 7 Ca -0.06 -0.31 -0.08 0.00 0.07 0.00 0.00 59.36 58.98 2k1s h GLU 7 Cb 1.46 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 2k1s h GLU 7 CO 0.15 0.90 0.05 0.00 0.07 0.00 0.00 179.01 180.18 2k1s h ALA 8 N 1.05 0.97 -0.20 1.06 0.00 -1.33 0.72 119.26 121.53 2k1s h ALA 8 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k1s h ALA 8 Cb 0.99 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2k1s h ALA 8 CO 0.09 0.64 0.13 -0.22 0.00 0.00 0.00 179.25 179.88 2k1s h LYS 9 N 0.92 0.27 -0.53 0.00 1.63 0.09 -0.87 116.57 118.08 2k1s h LYS 9 Ca 0.18 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.88 2k1s h LYS 9 Cb 0.47 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 2k1s h LYS 9 CO 0.02 0.20 0.02 -0.07 -3.45 0.00 0.00 179.45 176.17 2k1s h LEU 10 N 0.26 0.89 -1.80 5.20 3.38 -1.04 -0.57 115.31 121.63 2k1s h LEU 10 Ca 0.07 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2k1s h LEU 10 Cb -0.01 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2k1s h LEU 10 CO -0.01 0.97 -0.03 -0.09 0.09 0.00 0.00 178.44 179.36 2k1s h ARG 11 N 0.79 0.00 0.02 1.13 2.43 -0.65 0.24 114.38 118.35 2k1s h ARG 11 Ca 0.15 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 59.03 2k1s h ARG 11 Cb 0.50 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 2k1s h ARG 11 CO 0.02 0.03 -1.65 0.22 -1.51 0.00 0.00 179.97 177.09 2k1s h ASP 12 N 0.00 0.07 0.08 -3.80 3.58 -0.73 -3.28 116.42 112.35 2k1s h ASP 12 Ca -0.00 -0.14 -0.14 0.00 0.42 0.00 0.00 57.03 57.18 2k1s h ASP 12 Cb 0.41 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.44 2k1s h ASP 12 CO 0.00 1.12 -0.63 0.50 -2.88 0.00 0.00 179.24 177.35 2k1s h LYS 13 N 0.01 0.17 -2.58 0.28 1.63 -0.51 -3.41 116.57 112.16 2k1s h LYS 13 Ca -0.27 -0.30 -0.60 0.00 -0.85 0.00 0.00 60.65 58.64 2k1s h LYS 13 Cb 1.99 0.11 -0.40 0.00 -0.60 0.00 0.00 32.23 33.33 2k1s h LYS 13 CO 0.09 1.14 -0.77 0.00 -3.45 0.00 0.00 179.45 176.46 2k1s n MET 14 N -4.29 1.28 0.00 1.90 0.00 0.80 -4.96 117.12 111.85 2k1s n MET 14 Ca -0.15 -3.94 0.00 0.00 0.00 0.00 0.00 57.70 53.61 2k1s n MET 14 Cb 0.71 -1.96 0.00 0.00 0.00 0.00 0.00 33.22 31.97 2k1s n MET 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2k1s n ARG 15 N 2.00 0.00 -0.86 3.17 0.63 -1.23 -4.56 116.66 115.80 2k1s n ARG 15 Ca 0.25 0.14 -0.15 0.00 -0.92 0.00 0.00 57.85 57.17 2k1s n ARG 15 Cb 0.42 -0.55 0.15 0.00 0.45 0.00 0.00 32.46 32.94 2k1s n ARG 15 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k1s n GLY 16 N 1.98 3.67 0.13 5.14 0.00 -1.26 -4.24 105.19 110.61 2k1s n GLY 16 Ca 0.00 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 2k1s n GLY 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k1s h THR 17 N 0.97 1.30 0.00 2.61 1.35 -1.94 -3.48 112.91 113.73 2k1s h THR 17 Ca 0.41 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 2k1s h THR 17 Cb 2.27 2.94 0.00 0.00 -1.73 0.00 0.00 68.15 71.63 2k1s h THR 17 CO 0.75 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 177.48 2k1s n GLY 18 N 1.66 1.12 3.74 5.82 0.00 -1.26 -5.03 105.19 111.23 2k1s n GLY 18 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.23 3.96 -0.39 1.61 1.01 -1.26 -4.54 120.40 120.55 2k1s s VAL 19 Ca 0.00 1.66 -0.13 0.00 0.00 0.00 0.00 61.98 63.51 2k1s s VAL 19 Cb 0.00 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.35 2k1s s VAL 19 CO 0.00 0.27 0.25 -0.44 0.00 0.00 0.00 175.10 175.18 2k1s s SER 20 N -0.02 5.89 -0.32 3.32 0.01 -0.04 -4.83 113.70 117.71 2k1s s SER 20 Ca 0.50 -0.97 -0.25 0.00 1.31 0.00 0.00 55.95 56.53 2k1s s SER 20 Cb -0.29 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 63.87 2k1s s SER 20 CO 0.34 -0.42 0.89 -0.69 0.41 0.00 0.00 173.24 173.77 2k1s s VAL 21 N 1.60 4.69 -0.00 3.43 1.01 -1.26 -1.14 120.40 128.73 2k1s s VAL 21 Ca 0.03 1.34 0.03 0.00 0.00 0.00 0.00 61.98 63.39 2k1s s VAL 21 Cb -0.19 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 2k1s s VAL 21 CO 0.08 -0.35 -0.11 -0.89 0.00 0.00 0.00 175.10 173.83 2k1s s THR 22 N 3.21 0.85 -0.02 3.92 2.01 -0.42 -5.02 115.64 120.17 2k1s s THR 22 Ca 0.37 -0.52 -0.16 0.00 0.31 0.00 0.00 61.69 61.69 2k1s s THR 22 Cb -0.13 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 2k1s s THR 22 CO 0.14 0.20 0.44 -0.13 -0.69 0.00 0.00 174.62 174.58 2k1s s ARG 23 N -0.37 4.06 -0.46 4.92 1.81 -1.26 0.06 118.95 127.71 2k1s s ARG 23 Ca 0.03 0.45 0.03 0.00 -1.72 0.00 0.00 55.73 54.53 2k1s s ARG 23 Cb -0.05 -3.28 0.13 0.00 -0.45 0.00 0.00 34.95 31.30 2k1s s ARG 23 CO -0.00 0.55 0.22 -1.54 -0.68 0.00 0.00 175.30 173.85 2k1s s SER 24 N -0.65 4.17 0.94 0.23 1.04 -0.53 -4.91 113.70 114.00 2k1s s SER 24 Ca 0.25 -2.73 0.00 0.00 0.48 0.00 0.00 55.95 53.94 2k1s s SER 24 Cb -0.17 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.52 2k1s s SER 24 CO 0.13 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2k1s n GLY 25 N 3.46 1.23 0.10 7.32 0.00 -1.26 -0.82 105.19 115.21 2k1s n GLY 25 Ca 0.05 0.24 0.05 0.00 0.00 0.00 0.00 46.02 46.37 2k1s n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k1s n ASP 26 N 8.92 0.81 -4.93 1.61 2.03 -1.26 -5.02 116.55 118.71 2k1s n ASP 26 Ca 0.00 -0.90 -0.25 0.00 0.52 0.00 0.00 54.79 54.15 2k1s n ASP 26 Cb 0.00 0.81 0.07 0.00 -0.72 0.00 0.00 41.12 41.27 2k1s n ASP 26 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2k1s s ASN 27 N -1.83 4.84 -0.11 1.67 0.01 -0.00 -4.89 114.94 114.62 2k1s s ASN 27 Ca 0.06 0.42 0.01 0.00 -0.71 0.00 0.00 52.86 52.65 2k1s s ASN 27 Cb 0.09 -1.08 0.02 0.00 0.41 0.00 0.00 41.25 40.68 2k1s s ASN 27 CO 0.39 -1.58 -0.14 -0.63 -1.51 0.00 0.00 177.10 173.63 2k1s s ILE 28 N -3.22 1.43 -0.30 0.60 1.01 -1.11 -1.45 121.20 118.17 2k1s s ILE 28 Ca 0.60 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.59 2k1s s ILE 28 Cb -0.11 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.04 2k1s s ILE 28 CO 0.44 0.43 0.10 -0.63 0.00 0.00 0.00 174.94 175.28 2k1s s ILE 29 N 1.15 4.16 -0.78 2.92 1.01 0.11 -0.26 121.20 129.51 2k1s s ILE 29 Ca -0.04 -0.58 -0.18 0.00 0.00 0.00 0.00 60.65 59.86 2k1s s ILE 29 Cb -0.14 -3.12 0.15 0.00 0.01 0.00 0.00 42.46 39.35 2k1s s ILE 29 CO -0.04 0.10 0.88 -0.76 0.00 0.00 0.00 174.94 175.12 2k1s s LEU 30 N 1.54 5.64 -0.65 2.97 1.43 -0.04 -1.31 118.68 128.26 2k1s s LEU 30 Ca 0.03 -1.99 -0.27 0.00 -1.03 0.00 0.00 54.13 50.87 2k1s s LEU 30 Cb -0.17 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.76 2k1s s LEU 30 CO 0.03 -0.95 1.38 0.21 0.23 0.00 0.00 176.35 177.25 2k1s s ASN 31 N 3.22 6.08 -0.44 2.29 3.84 -0.29 -1.30 114.94 128.34 2k1s s ASN 31 Ca 0.21 -0.07 -0.16 0.00 0.21 0.00 0.00 52.86 53.05 2k1s s ASN 31 Cb -0.13 -2.55 0.04 0.00 -0.55 0.00 0.00 41.25 38.06 2k1s s ASN 31 CO -0.04 -1.82 0.38 -0.04 -2.79 0.00 0.00 177.10 172.80 2k1s s MET 32 N 5.72 3.01 0.32 0.43 -1.94 -0.60 -0.86 119.30 125.38 2k1s s MET 32 Ca 0.45 -1.09 -0.29 0.00 -1.71 0.00 0.00 55.69 53.05 2k1s s MET 32 Cb -0.09 -4.04 -0.11 0.00 2.01 0.00 0.00 34.83 32.60 2k1s s MET 32 CO 0.20 -0.91 1.48 -2.14 -0.01 0.00 0.00 175.02 173.64 2k1s s PRO 33 N 1.81 4.18 0.38 2.03 0.02 -1.26 -1.65 135.00 140.51 2k1s s PRO 33 Ca 0.07 2.47 0.18 0.00 0.02 0.00 0.00 61.00 63.73 2k1s s PRO 33 Cb -0.21 -3.03 1.12 0.00 0.02 0.00 0.00 34.50 32.41 2k1s s PRO 33 CO 0.09 -0.48 1.71 -0.97 -0.33 0.00 0.00 177.00 177.02 2k1s h ASN 34 N 3.96 0.47 -0.97 2.53 -1.24 -1.90 -1.44 115.58 116.98 2k1s h ASN 34 Ca -0.49 0.13 0.27 0.00 0.71 0.00 0.00 56.30 56.93 2k1s h ASN 34 Cb 1.23 0.07 -0.14 0.00 0.73 0.00 0.00 38.32 40.21 2k1s h ASN 34 CO 0.71 -0.02 0.49 0.78 -1.29 0.00 0.00 177.43 178.11 2k1s h ASN 35 N 0.35 0.44 -0.09 1.15 4.21 -1.87 -1.43 115.58 118.34 2k1s h ASN 35 Ca 0.68 0.17 0.00 0.00 1.21 0.00 0.00 56.30 58.37 2k1s h ASN 35 Cb 1.70 0.13 0.00 0.00 -1.12 0.00 0.00 38.32 39.04 2k1s h ASN 35 CO -0.43 -0.06 0.00 1.33 -1.29 0.00 0.00 177.43 176.98 2k1s n VAL 36 N -5.04 1.13 -0.02 2.81 0.24 -0.58 -4.73 118.33 112.15 2k1s n VAL 36 Ca 0.27 -1.15 -0.04 0.00 -2.04 0.00 0.00 64.34 61.38 2k1s n VAL 36 Cb 0.83 0.40 -0.01 0.00 -1.47 0.00 0.00 33.84 33.59 2k1s n VAL 36 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2k1s n THR 37 N -0.34 0.33 -4.26 3.34 -1.04 -0.71 -3.09 114.28 108.51 2k1s n THR 37 Ca 0.05 -0.02 -0.12 0.00 -2.04 0.00 0.00 64.05 61.93 2k1s n THR 37 Cb 0.35 -1.57 -0.03 0.00 -1.82 0.00 0.00 70.33 67.27 2k1s n THR 37 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2k1s n PHE 38 N -3.23 0.32 -0.19 -1.42 3.72 -0.62 -1.06 117.46 114.99 2k1s n PHE 38 Ca -0.08 -0.98 0.00 0.00 -0.05 0.00 0.00 57.45 56.35 2k1s n PHE 38 Cb 0.51 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 2k1s n PHE 38 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2k1s n ASP 39 N -1.36 0.00 -0.23 4.37 5.68 -1.18 -4.66 116.55 119.18 2k1s n ASP 39 Ca -0.06 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.16 2k1s n ASP 39 Cb 0.24 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.26 2k1s n ASP 39 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2k1s h SER 40 N 0.00 0.81 0.00 -1.12 0.87 -1.95 -3.43 113.55 108.73 2k1s h SER 40 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2k1s h SER 40 Cb 0.00 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 2k1s h SER 40 CO 0.00 0.69 0.00 -1.20 -0.53 0.00 0.00 176.83 175.79 2k1s n SER 41 N -4.52 0.00 -4.07 6.23 7.64 -1.26 -5.09 113.62 112.54 2k1s n SER 41 Ca 0.04 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.63 2k1s n SER 41 Cb 0.11 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.51 2k1s n SER 41 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k1s s SER 42 N -0.04 2.21 -1.11 6.43 0.01 -1.26 -4.95 113.70 114.99 2k1s s SER 42 Ca 0.00 0.51 -0.05 0.00 1.31 0.00 0.00 55.95 57.72 2k1s s SER 42 Cb 0.00 -0.70 0.29 0.00 0.21 0.00 0.00 66.02 65.82 2k1s s SER 42 CO 0.00 -3.32 1.56 0.00 0.41 0.00 0.00 173.24 171.89 2k1s n ALA 43 N -4.20 5.27 -3.85 1.44 0.00 -1.26 -4.32 120.51 113.59 2k1s n ALA 43 Ca 0.13 -4.73 -0.26 0.00 0.00 0.00 0.00 53.44 48.58 2k1s n ALA 43 Cb 0.59 -2.43 -0.17 0.00 0.00 0.00 0.00 19.45 17.45 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 -2.46 0.82 0.14 0.00 2.01 -1.26 -4.96 115.64 109.94 2k1s s THR 44 Ca 0.33 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 2k1s s THR 44 Cb 0.06 -0.94 -0.08 0.00 0.01 0.00 0.00 72.50 71.56 2k1s s THR 44 CO 0.08 0.26 1.26 -0.76 -0.69 0.00 0.00 174.62 174.77 2k1s s LEU 45 N 1.78 4.41 0.45 4.42 1.43 -1.26 -3.09 118.68 126.81 2k1s s LEU 45 Ca 0.04 2.23 -0.22 0.00 -1.03 0.00 0.00 54.13 55.14 2k1s s LEU 45 Cb -0.13 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 2k1s s LEU 45 CO -0.07 -0.48 1.09 -0.54 0.23 0.00 0.00 176.35 176.57 2k1s s LYS 46 N 0.37 3.90 0.25 1.70 1.02 -0.22 -4.79 119.74 121.97 2k1s s LYS 46 Ca 0.57 1.57 -0.06 0.00 0.02 0.00 0.00 55.97 58.07 2k1s s LYS 46 Cb -0.33 -2.36 0.47 0.00 -0.52 0.00 0.00 37.83 35.09 2k1s s LYS 46 CO 0.34 -0.39 1.65 -1.35 -0.92 0.00 0.00 175.35 174.68 2k1s h PRO 47 N 2.05 0.14 -0.21 -1.68 0.11 -1.94 0.67 132.00 131.14 2k1s h PRO 47 Ca -0.49 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 2k1s h PRO 47 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2k1s h PRO 47 CO 0.60 0.09 -0.45 0.00 -0.21 0.00 0.00 178.00 178.04 2k1s h ALA 48 N 1.69 0.83 -0.07 -0.75 0.00 -1.92 -1.41 119.26 117.63 2k1s h ALA 48 Ca 0.43 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2k1s h ALA 48 Cb 0.77 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k1s h ALA 48 CO -0.63 0.66 -0.03 0.78 0.00 0.00 0.00 179.25 180.02 2k1s h GLY 49 N 1.08 0.15 1.18 0.00 0.00 -0.91 -1.38 103.07 103.19 2k1s h GLY 49 Ca 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 2k1s h GLY 49 CO 0.08 0.12 0.30 0.00 0.00 0.00 0.00 176.54 177.05 2k1s h ALA 50 N 0.62 1.18 -0.81 3.60 0.00 0.23 0.55 119.26 124.63 2k1s h ALA 50 Ca 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2k1s h ALA 50 Cb 0.47 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2k1s h ALA 50 CO 0.01 0.60 0.39 -0.97 0.00 0.00 0.00 179.25 179.28 2k1s h ASN 51 N 1.03 1.06 -0.59 0.00 -1.24 -1.21 -0.15 115.58 114.48 2k1s h ASN 51 Ca 0.24 -0.13 -0.10 0.00 0.71 0.00 0.00 56.30 57.02 2k1s h ASN 51 Cb 0.17 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 2k1s h ASN 51 CO -0.02 0.90 -0.03 0.74 -1.29 0.00 0.00 177.43 177.73 2k1s h THR 52 N 1.16 1.27 -0.84 -3.57 2.02 -0.44 -2.37 112.91 110.14 2k1s h THR 52 Ca 0.28 -1.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 2k1s h THR 52 Cb 0.12 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 2k1s h THR 52 CO -0.03 0.43 0.52 -0.07 0.37 0.00 0.00 175.52 176.73 2k1s h LEU 53 N 0.96 1.00 -1.17 2.58 3.38 -0.32 -0.86 115.31 120.89 2k1s h LEU 53 Ca 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2k1s h LEU 53 Cb 0.59 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2k1s h LEU 53 CO 0.04 0.76 0.51 0.74 0.09 0.00 0.00 178.44 180.58 2k1s h THR 54 N 1.16 1.22 -0.50 0.22 2.02 -0.72 0.16 112.91 116.46 2k1s h THR 54 Ca 0.30 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 2k1s h THR 54 Cb -0.06 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 2k1s h THR 54 CO -0.06 0.22 0.15 1.23 0.37 0.00 0.00 175.52 177.43 2k1s h GLY 55 N 1.11 0.85 0.97 2.16 0.00 -0.70 -1.05 103.07 106.41 2k1s h GLY 55 Ca 0.29 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2k1s h GLY 55 CO -0.06 0.47 0.13 -2.08 0.00 0.00 0.00 176.54 175.00 2k1s h VAL 56 N 0.69 1.09 -0.26 4.60 2.07 -0.60 -2.54 116.25 121.28 2k1s h VAL 56 Ca 0.16 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2k1s h VAL 56 Cb 0.28 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2k1s h VAL 56 CO -0.00 0.08 0.16 0.00 0.02 0.00 0.00 177.57 177.83 2k1s h ALA 57 N 1.04 1.79 -0.44 1.67 0.00 -0.49 0.45 119.26 123.28 2k1s h ALA 57 Ca 0.08 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2k1s h ALA 57 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k1s h ALA 57 CO -0.01 0.19 -0.22 0.52 0.00 0.00 0.00 179.25 179.72 2k1s h MET 58 N 0.36 0.93 -0.51 0.00 2.86 -0.90 0.14 114.93 117.81 2k1s h MET 58 Ca 0.10 -0.41 -0.12 0.00 -2.06 0.00 0.00 59.70 57.21 2k1s h MET 58 Cb -0.02 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2k1s h MET 58 CO -0.02 1.07 -0.14 0.28 1.06 0.00 0.00 176.91 179.16 2k1s h VAL 59 N 0.76 1.27 0.00 -2.22 2.07 -0.89 -0.07 116.25 117.16 2k1s h VAL 59 Ca 0.10 -1.29 -0.08 0.00 0.82 0.00 0.00 66.70 66.25 2k1s h VAL 59 Cb 0.80 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2k1s h VAL 59 CO 0.07 0.45 -0.38 -0.07 0.02 0.00 0.00 177.57 177.66 2k1s h LEU 60 N 0.87 0.00 -0.10 2.57 -0.00 -0.80 0.13 115.31 117.97 2k1s h LEU 60 Ca 0.13 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.79 2k1s h LEU 60 Cb 0.70 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.35 2k1s h LEU 60 CO 0.05 0.38 -1.01 0.50 -0.00 0.00 0.00 178.44 178.36 2k1s h LYS 61 N 0.00 0.17 -0.05 1.13 3.64 -0.37 -2.74 116.57 118.35 2k1s h LYS 61 Ca -0.00 -0.23 -0.17 0.00 -1.27 0.00 0.00 60.65 58.97 2k1s h LYS 61 Cb 0.77 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2k1s h LYS 61 CO 0.05 1.04 -0.63 1.49 -2.27 0.00 0.00 179.45 179.13 2k1s h GLU 62 N 0.07 0.52 -3.04 1.90 4.57 -0.62 -3.39 114.58 114.59 2k1s h GLU 62 Ca -0.06 -0.49 -0.61 0.00 -1.18 0.00 0.00 59.36 57.02 2k1s h GLU 62 Cb 1.69 0.12 -0.40 0.00 -0.16 0.00 0.00 28.75 30.00 2k1s h GLU 62 CO 0.15 1.12 -0.72 0.71 -1.18 0.00 0.00 179.01 179.09 2k1s s TYR 63 N -3.44 2.17 -0.41 0.92 2.02 0.42 -5.00 117.35 114.03 2k1s s TYR 63 Ca -0.12 -2.55 -0.01 0.00 -0.37 0.00 0.00 57.07 54.02 2k1s s TYR 63 Cb 0.05 -2.02 0.31 0.00 -0.40 0.00 0.00 41.96 39.90 2k1s s TYR 63 CO 0.84 -0.77 1.95 -0.35 -1.57 0.00 0.00 175.55 175.65 2k1s n PRO 64 N 3.44 2.04 -0.44 -1.71 -0.04 -1.03 -4.24 135.00 133.02 2k1s n PRO 64 Ca 0.09 -2.08 0.08 0.00 -0.04 0.00 0.00 63.50 61.54 2k1s n PRO 64 Cb 0.34 -1.82 0.26 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.14 3.25 -4.70 0.54 4.76 -1.26 -4.89 118.16 115.71 2k1s n LYS 65 Ca 0.40 -2.64 -0.29 0.00 -2.87 0.00 0.00 58.31 52.91 2k1s n LYS 65 Cb 0.71 -1.71 -0.17 0.00 -1.84 0.00 0.00 35.03 32.03 2k1s n LYS 65 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2k1s s THR 66 N -1.99 1.67 0.40 -0.18 -4.23 -1.26 -0.54 115.64 109.50 2k1s s THR 66 Ca 0.40 -0.76 -0.25 0.00 -1.18 0.00 0.00 61.69 59.90 2k1s s THR 66 Cb 0.28 -1.49 -0.09 0.00 1.34 0.00 0.00 72.50 72.54 2k1s s THR 66 CO 0.16 0.47 1.09 0.00 -0.54 0.00 0.00 174.62 175.80 2k1s s ALA 67 N 0.74 3.11 -0.58 3.99 0.00 0.19 -4.74 121.76 124.48 2k1s s ALA 67 Ca -0.11 0.79 -0.13 0.00 0.00 0.00 0.00 51.96 52.50 2k1s s ALA 67 Cb -0.16 -3.31 0.15 0.00 0.00 0.00 0.00 23.12 19.80 2k1s s ALA 67 CO 0.02 -0.31 0.51 0.08 0.00 0.00 0.00 175.76 176.06 2k1s s VAL 68 N -1.56 4.96 -0.37 0.00 1.01 0.84 -1.12 120.40 124.15 2k1s s VAL 68 Ca 0.57 -1.84 -0.16 0.00 0.00 0.00 0.00 61.98 60.55 2k1s s VAL 68 Cb -0.25 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2k1s s VAL 68 CO 0.31 -0.88 0.39 0.21 0.00 0.00 0.00 175.10 175.14 2k1s s ASN 69 N 2.94 6.19 -0.42 3.32 3.84 -0.78 -1.11 114.94 128.91 2k1s s ASN 69 Ca 0.07 -0.38 -0.12 0.00 0.21 0.00 0.00 52.86 52.64 2k1s s ASN 69 Cb -0.25 -2.21 0.05 0.00 -0.55 0.00 0.00 41.25 38.30 2k1s s ASN 69 CO -0.01 -0.43 0.28 -0.69 -2.79 0.00 0.00 177.10 173.47 2k1s s VAL 70 N 2.07 4.73 -0.25 -5.21 1.01 0.37 -0.10 120.40 123.02 2k1s s VAL 70 Ca 0.12 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 2k1s s VAL 70 Cb -0.17 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2k1s s VAL 70 CO 0.12 -0.41 0.12 -0.63 0.00 0.00 0.00 175.10 174.29 2k1s s ILE 71 N 1.55 4.81 -0.18 2.22 -1.09 -0.87 -0.71 121.20 126.93 2k1s s ILE 71 Ca 0.03 -0.01 -0.11 0.00 -2.23 0.00 0.00 60.65 58.33 2k1s s ILE 71 Cb -0.22 -3.25 -0.05 0.00 -1.58 0.00 0.00 42.46 37.37 2k1s s ILE 71 CO 0.06 0.33 0.20 -0.83 -1.23 0.00 0.00 174.94 173.47 2k1s s GLY 72 N 1.39 2.12 -0.21 6.18 0.00 -0.90 -1.94 107.32 113.96 2k1s s GLY 72 Ca 0.06 -0.59 -0.03 0.00 0.00 0.00 0.00 44.72 44.16 2k1s s GLY 72 CO 0.06 0.21 -0.05 -0.19 0.00 0.00 0.00 173.10 173.12 2k1s s TYR 73 N 0.27 2.94 -0.60 1.90 2.02 -0.12 -1.83 117.35 121.93 2k1s s TYR 73 Ca 0.12 -0.90 0.03 0.00 -0.37 0.00 0.00 57.07 55.95 2k1s s TYR 73 Cb -0.12 -2.07 0.37 0.00 -0.40 0.00 0.00 41.96 39.74 2k1s s TYR 73 CO 0.01 -0.50 1.27 0.25 -1.57 0.00 0.00 175.55 175.01 2k1s n THR 74 N 4.63 3.16 0.00 -0.71 -2.24 -1.26 -2.41 114.28 115.46 2k1s n THR 74 Ca -0.18 -5.15 0.00 0.00 -2.27 0.00 0.00 64.05 56.45 2k1s n THR 74 Cb 0.51 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 2k1s n THR 74 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2k1s n ASP 75 N -0.38 0.00 0.00 3.42 5.75 -1.19 -4.12 116.55 120.03 2k1s n ASP 75 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 2k1s n ASP 75 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 2k1s n ASP 75 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2k1s n SER 76 N 4.07 0.00 -4.83 -1.12 7.64 -1.26 -3.32 113.62 114.80 2k1s n SER 76 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 2k1s n SER 76 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2k1s n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2k1s s THR 77 N 0.00 4.73 0.00 0.44 2.01 -1.26 -4.46 115.64 117.10 2k1s s THR 77 Ca 0.00 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.06 2k1s s THR 77 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.70 2k1s s THR 77 CO 0.00 0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 2k1s n GLY 78 N 0.90 2.94 0.00 4.40 0.00 -1.26 -4.93 105.19 107.23 2k1s n GLY 78 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2k1s n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1s n GLY 79 N 0.00 -1.21 0.00 -0.02 0.00 -1.26 -4.94 105.19 97.76 2k1s n GLY 79 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2k1s n GLY 79 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k1s n HIS 80 N 6.03 0.00 0.22 1.61 -0.00 -1.26 -4.39 115.22 117.43 2k1s n HIS 80 Ca 0.00 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.26 2k1s n HIS 80 Cb 0.00 0.00 0.52 0.00 -0.12 0.00 0.00 29.99 30.39 2k1s n HIS 80 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 2k1s h ASP 81 N 0.00 0.00 0.71 0.26 2.03 -1.98 -2.55 116.42 114.90 2k1s h ASP 81 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 2k1s h ASP 81 Cb 0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k1s h ASP 81 CO 0.00 0.24 -0.43 0.25 -1.03 0.00 0.00 179.24 178.27 2k1s h LEU 82 N 0.00 -1.09 -0.12 0.15 7.12 -1.94 0.23 115.31 119.65 2k1s h LEU 82 Ca -0.00 0.06 -0.05 0.00 0.13 0.00 0.00 57.88 58.01 2k1s h LEU 82 Cb 0.58 0.32 -0.01 0.00 -0.53 0.00 0.00 40.66 41.02 2k1s h LEU 82 CO 0.03 -0.67 -0.25 -0.55 -0.13 0.00 0.00 178.44 176.87 2k1s h ASN 83 N -1.07 0.00 -0.28 1.25 -1.07 -1.76 -2.74 115.58 109.91 2k1s h ASN 83 Ca -0.10 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.18 2k1s h ASN 83 Cb 0.86 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.10 2k1s h ASN 83 CO 0.10 0.25 -0.20 0.24 0.07 0.00 0.00 177.43 177.90 2k1s h MET 84 N 0.00 0.63 -0.39 4.14 2.86 -1.33 0.20 114.93 121.04 2k1s h MET 84 Ca -0.00 -0.30 -0.13 0.00 -2.06 0.00 0.00 59.70 57.21 2k1s h MET 84 Cb 1.15 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 2k1s h MET 84 CO 0.03 0.89 -0.26 0.07 1.06 0.00 0.00 176.91 178.70 2k1s h ARG 85 N 0.36 0.82 -0.32 1.72 0.11 -0.52 0.19 114.38 116.74 2k1s h ARG 85 Ca 0.05 -0.35 -0.01 0.00 0.10 0.00 0.00 59.98 59.77 2k1s h ARG 85 Cb 0.74 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.78 2k1s h ARG 85 CO 0.05 0.98 0.16 1.25 0.10 0.00 0.00 179.97 182.52 2k1s h LEU 86 N 0.70 0.40 -0.91 0.08 5.85 -1.44 -1.03 115.31 118.97 2k1s h LEU 86 Ca 0.09 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2k1s h LEU 86 Cb 0.80 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2k1s h LEU 86 CO 0.07 0.40 0.36 -1.28 -0.34 0.00 0.00 178.44 177.64 2k1s h SER 87 N 0.38 1.04 -0.17 1.25 0.87 -0.73 -1.34 113.55 114.86 2k1s h SER 87 Ca 0.11 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2k1s h SER 87 Cb 0.09 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 2k1s h SER 87 CO -0.02 0.90 0.10 -0.61 -0.53 0.00 0.00 176.83 176.67 2k1s h GLN 88 N 1.13 0.23 -0.56 2.24 5.75 -0.18 0.29 115.11 124.02 2k1s h GLN 88 Ca 0.27 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.70 2k1s h GLN 88 Cb 0.15 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 2k1s h GLN 88 CO -0.03 0.21 0.14 1.96 -2.65 0.00 0.00 178.83 178.45 2k1s h GLN 89 N 0.19 0.85 -0.50 1.69 4.20 -1.03 -0.65 115.11 119.87 2k1s h GLN 89 Ca 0.06 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 2k1s h GLN 89 Cb 0.04 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2k1s h GLN 89 CO -0.01 0.76 0.14 0.00 -0.67 0.00 0.00 178.83 179.05 2k1s h ARG 90 N 0.82 0.78 -0.60 1.46 3.08 -0.71 0.32 114.38 119.54 2k1s h ARG 90 Ca 0.18 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k1s h ARG 90 Cb 0.29 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2k1s h ARG 90 CO -0.00 0.75 0.37 0.00 -1.07 0.00 0.00 179.97 180.02 2k1s h ALA 91 N 1.00 0.77 0.00 0.04 0.00 0.03 -1.69 119.26 119.40 2k1s h ALA 91 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k1s h ALA 91 Cb 0.30 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k1s h ALA 91 CO -0.00 0.24 -0.00 -0.44 0.00 0.00 0.00 179.25 179.04 2k1s h ASP 92 N 0.81 0.00 -0.44 0.00 5.19 -0.88 -1.51 116.42 119.60 2k1s h ASP 92 Ca 0.22 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.54 2k1s h ASP 92 Cb -0.04 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 2k1s h ASP 92 CO -0.04 0.00 -0.08 0.28 -3.12 0.00 0.00 179.24 176.28 2k1s h SER 93 N 0.00 0.83 -0.37 6.45 0.02 -0.00 0.38 113.55 120.86 2k1s h SER 93 Ca -0.00 -0.35 -0.05 0.00 -0.84 0.00 0.00 61.79 60.55 2k1s h SER 93 Cb 0.53 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2k1s h SER 93 CO 0.00 0.99 0.03 0.58 -1.14 0.00 0.00 176.83 177.28 2k1s h VAL 94 N 0.66 1.25 -0.15 2.27 2.07 -1.05 -2.63 116.25 118.67 2k1s h VAL 94 Ca 0.11 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2k1s h VAL 94 Cb 0.61 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2k1s h VAL 94 CO 0.04 0.31 0.08 0.00 0.02 0.00 0.00 177.57 178.02 2k1s h ALA 95 N 0.89 0.19 -0.73 1.67 0.00 -1.14 -2.14 119.26 117.99 2k1s h ALA 95 Ca 0.11 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2k1s h ALA 95 Cb 0.42 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 2k1s h ALA 95 CO 0.01 -0.29 0.34 1.03 0.00 0.00 0.00 179.25 180.35 2k1s h SER 96 N 0.14 0.40 0.53 0.00 0.87 -0.19 0.17 113.55 115.47 2k1s h SER 96 Ca 0.05 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2k1s h SER 96 Cb 0.06 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2k1s h SER 96 CO -0.01 0.20 -0.27 0.00 -0.53 0.00 0.00 176.83 176.22 2k1s h ALA 97 N 1.48 -0.73 -0.46 6.23 0.00 -1.21 -0.22 119.26 124.35 2k1s h ALA 97 Ca 0.38 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2k1s h ALA 97 Cb 0.48 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2k1s h ALA 97 CO -0.32 -0.91 0.18 -0.07 0.00 0.00 0.00 179.25 178.12 2k1s h LEU 98 N -0.73 0.21 -0.88 0.00 3.38 -0.71 0.13 115.31 116.72 2k1s h LEU 98 Ca -0.07 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2k1s h LEU 98 Cb 0.57 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2k1s h LEU 98 CO 0.11 0.15 0.57 0.40 0.09 0.00 0.00 178.44 179.77 2k1s h ILE 99 N 0.37 1.23 0.00 1.22 2.04 -0.60 -1.43 117.51 120.33 2k1s h ILE 99 Ca 0.21 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 2k1s h ILE 99 Cb 0.19 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 2k1s h ILE 99 CO -0.20 0.22 -0.17 0.74 0.00 0.00 0.00 178.15 178.74 2k1s h THR 100 N 1.19 0.49 -0.00 -0.27 2.02 0.14 -0.78 112.91 115.70 2k1s h THR 100 Ca 0.32 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2k1s h THR 100 Cb -0.13 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2k1s h THR 100 CO -0.07 0.17 -0.01 0.00 0.37 0.00 0.00 175.52 175.99 2k1s n GLN 101 N -3.42 0.96 -0.24 6.66 3.00 -0.08 -4.88 117.38 119.38 2k1s n GLN 101 Ca -0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2k1s n GLN 101 Cb 0.36 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.10 2k1s n GLN 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k1s n GLY 102 N 1.07 0.76 3.33 1.08 0.00 -0.31 -4.95 105.19 106.17 2k1s n GLY 102 Ca 0.22 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.68 2.36 0.23 1.61 1.01 -1.07 -4.88 120.40 117.97 2k1s s VAL 103 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 2k1s s VAL 103 Cb 0.00 -1.87 -0.10 0.00 0.00 0.00 0.00 36.38 34.41 2k1s s VAL 103 CO 0.00 0.57 1.46 -1.81 0.00 0.00 0.00 175.10 175.32 2k1s s ASP 104 N -0.37 6.64 0.29 3.32 1.11 -1.26 -4.27 116.67 122.14 2k1s s ASP 104 Ca 0.03 2.65 0.25 0.00 0.18 0.00 0.00 52.55 55.66 2k1s s ASP 104 Cb -0.12 -2.62 0.65 0.00 1.07 0.00 0.00 42.92 41.91 2k1s s ASP 104 CO 0.02 -0.72 1.72 0.00 1.18 0.00 0.00 175.17 177.36 2k1s h ALA 105 N 5.39 1.00 0.00 5.23 0.00 -1.95 -3.17 119.26 125.77 2k1s h ALA 105 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2k1s h ALA 105 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k1s h ALA 105 CO 0.80 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.82 2k1s h SER 106 N 0.00 0.00 -0.08 0.00 0.02 -2.03 -1.26 113.55 110.21 2k1s h SER 106 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k1s h SER 106 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2k1s h SER 106 CO 0.00 0.00 0.00 -2.11 -1.14 0.00 0.00 176.83 173.58 2k1s n ARG 107 N -2.69 2.26 -4.09 3.45 1.85 -1.20 -4.95 116.66 111.29 2k1s n ARG 107 Ca -0.02 -2.20 -0.32 0.00 -1.00 0.00 0.00 57.85 54.31 2k1s n ARG 107 Cb 0.10 -1.36 -0.16 0.00 -1.05 0.00 0.00 32.46 29.99 2k1s n ARG 107 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2k1s s ILE 108 N -2.05 2.03 -0.16 8.89 1.01 -0.47 -0.11 121.20 130.34 2k1s s ILE 108 Ca 0.22 -1.14 0.01 0.00 0.00 0.00 0.00 60.65 59.74 2k1s s ILE 108 Cb 0.18 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.71 2k1s s ILE 108 CO 0.04 0.33 -0.18 -0.60 0.00 0.00 0.00 174.94 174.53 2k1s s ARG 109 N 1.25 2.75 -0.18 2.79 3.52 -0.27 -4.94 118.95 123.88 2k1s s ARG 109 Ca 0.00 -0.74 -0.07 0.00 -0.13 0.00 0.00 55.73 54.80 2k1s s ARG 109 Cb -0.15 -2.38 -0.04 0.00 -1.56 0.00 0.00 34.95 30.82 2k1s s ARG 109 CO -0.10 -0.19 0.04 0.95 -0.81 0.00 0.00 175.30 175.20 2k1s s THR 110 N 1.27 4.63 -0.21 4.11 -4.23 -1.26 -0.48 115.64 119.47 2k1s s THR 110 Ca 0.03 -0.09 -0.03 0.00 -1.18 0.00 0.00 61.69 60.42 2k1s s THR 110 Cb -0.13 -3.08 0.07 0.00 1.34 0.00 0.00 72.50 70.69 2k1s s THR 110 CO -0.10 0.47 0.05 -1.10 -0.54 0.00 0.00 174.62 173.40 2k1s s GLN 111 N 0.36 0.57 -1.34 3.99 -0.21 0.11 -4.97 119.66 118.17 2k1s s GLN 111 Ca 0.02 -0.46 -0.14 0.00 0.02 0.00 0.00 55.36 54.80 2k1s s GLN 111 Cb -0.13 -2.01 0.10 0.00 1.00 0.00 0.00 33.01 31.96 2k1s s GLN 111 CO 0.01 -0.70 1.88 0.41 -2.12 0.00 0.00 175.29 174.77 2k1s n GLY 112 N 5.07 3.77 0.12 3.09 0.00 -1.26 -2.12 105.19 113.86 2k1s n GLY 112 Ca -0.08 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 2k1s n GLY 112 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k1s h LEU 113 N 10.29 0.29 0.00 0.99 3.38 -1.84 -3.41 115.31 125.01 2k1s h LEU 113 Ca 0.46 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2k1s h LEU 113 Cb 0.74 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2k1s h LEU 113 CO 1.60 1.06 0.00 0.61 0.09 0.00 0.00 178.44 181.81 2k1s n GLY 114 N 0.96 2.82 1.24 0.83 0.00 -0.76 -3.76 105.19 106.52 2k1s n GLY 114 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2k1s n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k1s n PRO 115 N 11.66 0.84 0.04 1.61 -0.04 -1.21 -3.89 135.00 144.01 2k1s n PRO 115 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2k1s n PRO 115 Cb 0.00 -1.08 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 2k1s n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k1s h ALA 116 N 1.78 0.40 -2.64 0.55 0.00 -1.85 -3.44 119.26 114.05 2k1s h ALA 116 Ca 0.00 -1.18 -0.48 0.00 0.00 0.00 0.00 54.91 53.26 2k1s h ALA 116 Cb 0.84 0.29 -0.38 0.00 0.00 0.00 0.00 17.79 18.54 2k1s h ALA 116 CO 0.00 1.26 -0.74 1.21 0.00 0.00 0.00 179.25 180.98 2k1s s ASN 117 N -6.76 3.05 -0.48 0.00 2.47 -1.25 -5.10 114.94 106.86 2k1s s ASN 117 Ca -0.08 -1.14 -0.28 0.00 0.42 0.00 0.00 52.86 51.78 2k1s s ASN 117 Cb 0.07 -0.14 0.02 0.00 -1.45 0.00 0.00 41.25 39.76 2k1s s ASN 117 CO 0.84 -0.42 1.35 -2.84 -3.72 0.00 0.00 177.10 172.31 2k1s s PRO 118 N 2.17 3.51 0.23 0.43 0.02 -1.26 -4.89 135.00 135.20 2k1s s PRO 118 Ca 0.09 0.68 -0.02 0.00 0.02 0.00 0.00 61.00 61.77 2k1s s PRO 118 Cb -0.15 -4.04 0.24 0.00 0.02 0.00 0.00 34.50 30.57 2k1s s PRO 118 CO -0.35 -1.66 1.63 0.97 -0.33 0.00 0.00 177.00 177.26 2k1s h ILE 119 N 6.39 1.28 -2.81 2.83 2.10 -1.91 -3.46 117.51 121.93 2k1s h ILE 119 Ca -0.26 -1.41 -0.49 0.00 1.08 0.00 0.00 64.86 63.77 2k1s h ILE 119 Cb 1.09 1.37 -0.14 0.00 -1.09 0.00 0.00 36.82 38.05 2k1s h ILE 119 CO 1.13 0.46 -0.57 0.00 -1.08 0.00 0.00 178.15 178.08 2k1s s ALA 120 N -4.45 2.53 -0.29 0.18 0.00 -1.26 -5.03 121.76 113.45 2k1s s ALA 120 Ca -0.08 -1.71 -0.29 0.00 0.00 0.00 0.00 51.96 49.88 2k1s s ALA 120 Cb 0.13 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 2k1s s ALA 120 CO 0.82 -0.33 1.59 -1.54 0.00 0.00 0.00 175.76 176.30 2k1s s SER 121 N -3.52 6.28 0.00 0.00 1.04 -1.26 -4.77 113.70 111.47 2k1s s SER 121 Ca 0.31 1.34 0.26 0.00 0.48 0.00 0.00 55.95 58.35 2k1s s SER 121 Cb 0.06 -2.53 1.32 0.00 0.10 0.00 0.00 66.02 64.97 2k1s s SER 121 CO 0.15 -1.39 1.88 0.59 0.98 0.00 0.00 173.24 175.45 2k1s n ASN 122 N 8.91 0.00 0.24 7.02 3.02 -1.26 -2.22 115.26 130.96 2k1s n ASN 122 Ca 0.19 -0.09 0.11 0.00 -0.03 0.00 0.00 54.58 54.76 2k1s n ASN 122 Cb 0.46 -0.28 0.59 0.00 -0.61 0.00 0.00 39.78 39.94 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 0.00 0.00 -3.29 6.41 0.87 -1.96 -3.42 113.55 112.16 2k1s h SER 123 Ca 0.00 0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 59.90 2k1s h SER 123 Cb 0.24 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.04 2k1s h SER 123 CO 0.00 0.19 -0.62 0.42 -0.53 0.00 0.00 176.83 176.29 2k1s s THR 124 N -3.95 4.34 0.40 2.23 -4.23 -0.94 -5.00 115.64 108.49 2k1s s THR 124 Ca -0.01 -0.22 0.07 0.00 -1.18 0.00 0.00 61.69 60.35 2k1s s THR 124 Cb 0.12 -2.87 0.24 0.00 1.34 0.00 0.00 72.50 71.32 2k1s s THR 124 CO 0.61 0.55 2.02 0.00 -0.54 0.00 0.00 174.62 177.27 2k1s h ALA 125 N 5.83 1.65 -0.23 3.99 0.00 -1.83 0.12 119.26 128.78 2k1s h ALA 125 Ca -0.43 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 2k1s h ALA 125 Cb 1.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2k1s h ALA 125 CO 0.60 0.29 -0.04 0.93 0.00 0.00 0.00 179.25 181.03 2k1s h GLU 126 N 0.48 0.44 -0.44 0.00 3.07 -1.94 -1.33 114.58 114.86 2k1s h GLU 126 Ca 0.12 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 2k1s h GLU 126 Cb 0.05 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 2k1s h GLU 126 CO -0.02 0.66 0.00 0.78 -1.40 0.00 0.00 179.01 179.03 2k1s h GLY 127 N 0.18 0.77 1.40 -3.84 0.00 -1.45 -0.91 103.07 99.23 2k1s h GLY 127 Ca 0.06 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 2k1s h GLY 127 CO 0.02 0.46 -0.08 1.70 0.00 0.00 0.00 176.54 178.64 2k1s h LYS 128 N 0.68 0.72 -0.46 4.80 3.64 -0.67 0.14 116.57 125.41 2k1s h LYS 128 Ca 0.14 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 2k1s h LYS 128 Cb 0.41 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2k1s h LYS 128 CO 0.02 0.78 -0.10 0.00 -2.27 0.00 0.00 179.45 177.88 2k1s h ALA 129 N 1.25 0.97 0.00 5.00 0.00 -0.67 -2.14 119.26 123.67 2k1s h ALA 129 Ca 0.12 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2k1s h ALA 129 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2k1s h ALA 129 CO 0.03 0.61 -0.25 0.37 0.00 0.00 0.00 179.25 180.02 2k1s h GLN 130 N 0.74 0.00 0.00 0.00 4.15 -0.74 -2.58 115.11 116.68 2k1s h GLN 130 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 2k1s h GLN 130 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 2k1s h GLN 130 CO 0.04 0.25 0.00 -1.71 -1.93 0.00 0.00 178.83 175.47 2k1s n ASN 131 N -3.37 0.00 -4.36 -0.69 5.15 0.44 -4.28 115.26 108.16 2k1s n ASN 131 Ca 0.00 -0.10 -0.46 0.00 -0.60 0.00 0.00 54.58 53.43 2k1s n ASN 131 Cb 0.46 -0.27 -0.03 0.00 -0.53 0.00 0.00 39.78 39.41 2k1s n ASN 131 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2k1s s ARG 132 N -2.54 3.36 0.28 1.20 0.52 -0.97 -3.18 118.95 117.62 2k1s s ARG 132 Ca 0.23 -1.93 -0.01 0.00 -0.52 0.00 0.00 55.73 53.50 2k1s s ARG 132 Cb 0.16 -4.45 -0.02 0.00 0.52 0.00 0.00 34.95 31.16 2k1s s ARG 132 CO 0.36 -1.45 0.32 0.50 0.02 0.00 0.00 175.30 175.05 2k1s s ARG 133 N 1.48 1.60 -0.21 3.54 6.06 -1.01 -3.52 118.95 126.88 2k1s s ARG 133 Ca 0.16 -1.71 -0.03 0.00 -2.50 0.00 0.00 55.73 51.66 2k1s s ARG 133 Cb -0.16 0.36 0.06 0.00 0.06 0.00 0.00 34.95 35.28 2k1s s ARG 133 CO -0.03 -0.61 0.05 0.08 -2.50 0.00 0.00 175.30 172.28 2k1s s VAL 134 N -3.64 0.52 -0.23 7.11 1.01 -0.66 -0.94 120.40 123.57 2k1s s VAL 134 Ca 0.35 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 2k1s s VAL 134 Cb 0.03 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 2k1s s VAL 134 CO 0.18 -0.27 0.07 -1.61 0.00 0.00 0.00 175.10 173.47 2k1s s GLU 135 N 1.85 3.76 -0.44 2.72 2.02 -0.82 -1.56 118.70 126.24 2k1s s GLU 135 Ca 0.00 -0.43 -0.21 0.00 0.02 0.00 0.00 54.97 54.35 2k1s s GLU 135 Cb -0.17 -3.29 0.02 0.00 0.10 0.00 0.00 34.13 30.80 2k1s s GLU 135 CO -0.11 -0.03 0.68 0.42 0.02 0.00 0.00 175.26 176.25 2k1s s ILE 136 N 1.19 4.77 -0.49 -1.63 1.09 -0.42 -2.05 121.20 123.67 2k1s s ILE 136 Ca 0.05 0.20 -0.19 0.00 -1.10 0.00 0.00 60.65 59.60 2k1s s ILE 136 Cb -0.14 -4.24 0.05 0.00 -1.06 0.00 0.00 42.46 37.06 2k1s s ILE 136 CO 0.03 -0.64 0.62 -0.89 -0.10 0.00 0.00 174.94 173.97 2k1s s THR 137 N 2.96 4.87 -0.50 2.92 2.01 0.86 -0.86 115.64 127.90 2k1s s THR 137 Ca 0.25 -0.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.59 2k1s s THR 137 Cb -0.14 -4.27 0.03 0.00 0.01 0.00 0.00 72.50 68.13 2k1s s THR 137 CO 0.20 -0.75 1.21 -0.76 -0.69 0.00 0.00 174.62 173.83 2k1s s LEU 138 N 2.65 3.57 -0.24 4.42 1.43 0.64 -1.87 118.68 129.27 2k1s s LEU 138 Ca 0.16 0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 53.60 2k1s s LEU 138 Cb -0.18 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 2k1s s LEU 138 CO 0.13 -1.37 0.09 -0.44 0.23 0.00 0.00 176.35 175.00 2k1s s SER 139 N 2.91 5.40 0.08 2.29 0.01 -0.28 -2.73 113.70 121.38 2k1s s SER 139 Ca 0.49 -0.12 -0.32 0.00 1.31 0.00 0.00 55.95 57.31 2k1s s SER 139 Cb -0.08 -1.97 -0.11 0.00 0.21 0.00 0.00 66.02 64.07 2k1s s SER 139 CO 0.30 -0.00 1.83 -0.81 0.41 0.00 0.00 173.24 174.97 2k1s n PRO 140 N 4.70 2.63 -3.04 12.44 -0.04 -1.26 0.57 135.00 151.00 2k1s n PRO 140 Ca -0.16 0.96 -0.40 0.00 -0.04 0.00 0.00 63.50 63.86 2k1s n PRO 140 Cb 0.52 -2.84 -0.05 0.00 -0.04 0.00 0.00 33.50 31.09 2k1s n PRO 140 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k1s s LEU 141 N 2.92 4.20 0.49 1.53 1.43 0.30 -4.86 118.68 124.68 2k1s s LEU 141 Ca 0.84 1.01 0.08 0.00 -1.03 0.00 0.00 54.13 55.03 2k1s s LEU 141 Cb -0.53 -3.02 0.03 0.00 0.03 0.00 0.00 46.19 42.70 2k1s s LEU 141 CO 0.40 -0.26 0.58 -1.48 0.23 0.00 0.00 176.35 175.82 2k1s s LEU 142 N 1.68 3.28 -0.85 1.79 2.34 -1.26 -4.95 118.68 120.70 2k1s s LEU 142 Ca 0.33 -0.75 -0.25 0.00 0.06 0.00 0.00 54.13 53.52 2k1s s LEU 142 Cb -0.16 -1.97 0.01 0.00 -0.56 0.00 0.00 46.19 43.51 2k1s s LEU 142 CO 0.13 -0.98 1.56 -1.61 -1.06 0.00 0.00 176.35 174.39 2k1s s GLU 143 N -4.40 3.12 -0.62 1.48 0.41 -1.26 -4.94 118.70 112.50 2k1s s GLU 143 Ca 0.53 -0.43 -0.23 0.00 -0.41 0.00 0.00 54.97 54.42 2k1s s GLU 143 Cb -0.06 -4.81 0.06 0.00 -1.78 0.00 0.00 34.13 27.53 2k1s s GLU 143 CO 0.32 -2.50 0.96 -1.58 -0.49 0.00 0.00 175.26 171.97 2k1s s HIS 144 N 6.84 2.71 0.75 1.61 5.65 -1.26 -5.02 115.29 126.57 2k1s s HIS 144 Ca 0.51 -0.30 -0.05 0.00 0.25 0.00 0.00 55.06 55.47 2k1s s HIS 144 Cb -0.06 -4.20 0.16 0.00 -1.18 0.00 0.00 32.58 27.30 2k1s s HIS 144 CO 0.04 -1.54 1.03 0.72 -0.65 0.00 0.00 174.74 174.34 2k1s n HIS 145 N 7.67 -3.28 -2.78 3.88 8.25 -1.26 -4.99 115.22 122.71 2k1s n HIS 145 Ca -0.01 -1.48 -0.43 0.00 -0.26 0.00 0.00 57.72 55.54 2k1s n HIS 145 Cb 0.46 -0.77 -0.03 0.00 1.12 0.00 0.00 29.99 30.78 2k1s n HIS 145 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k1s s HIS 146 N -3.14 2.83 0.00 4.41 3.76 -1.26 -4.80 115.29 117.09 2k1s s HIS 146 Ca 0.65 -1.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 2k1s s HIS 146 Cb -0.03 -4.44 0.00 0.00 1.11 0.00 0.00 32.58 29.22 2k1s s HIS 146 CO 0.44 -1.69 0.00 1.58 -0.85 0.00 0.00 174.74 174.22 2k1s n HIS 147 N 7.60 0.00 0.00 1.40 -0.00 -1.26 -4.94 115.22 118.01 2k1s n HIS 147 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.94 2k1s n HIS 147 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.48 2k1s n HIS 147 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k1s n HIS 148 N -0.34 0.00 -1.76 1.57 8.25 -1.26 -5.34 115.22 116.34 2k1s n HIS 148 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k1s n HIS 148 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2k1s n HIS 148 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59