#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 0.00 -0.28 2.98 9.36 -1.26 -4.17 117.16 123.79 2k1s n TYR 2 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 2k1s n TYR 2 Cb 0.00 0.00 0.15 0.00 -0.63 0.00 0.00 39.34 38.86 2k1s n TYR 2 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 2k1s h MET 3 N 0.00 1.14 -0.62 2.98 2.86 -2.00 -2.81 114.93 116.48 2k1s h MET 3 Ca 0.00 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 2k1s h MET 3 Cb 0.00 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.40 2k1s h MET 3 CO 0.00 0.82 0.18 -0.44 1.06 0.00 0.00 176.91 178.53 2k1s h ASP 4 N 1.15 0.92 0.53 1.22 3.32 -1.97 0.88 116.42 122.47 2k1s h ASP 4 Ca 0.29 -0.22 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 2k1s h ASP 4 Cb -0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 2k1s h ASP 4 CO -0.05 0.89 -0.62 1.62 -1.72 0.00 0.00 179.24 179.36 2k1s h VAL 5 N 0.90 1.43 -0.32 -1.35 3.04 -1.87 0.20 116.25 118.27 2k1s h VAL 5 Ca 0.20 -2.09 -0.12 0.00 -1.01 0.00 0.00 66.70 63.68 2k1s h VAL 5 Cb 0.31 2.10 -0.01 0.00 -2.01 0.00 0.00 31.29 31.69 2k1s h VAL 5 CO -0.00 0.60 -0.28 -0.61 -1.01 0.00 0.00 177.57 176.27 2k1s h GLN 6 N 0.06 0.76 -0.33 4.17 4.15 -1.21 -1.91 115.11 120.81 2k1s h GLN 6 Ca -0.01 -0.39 0.01 0.00 0.77 0.00 0.00 58.65 59.04 2k1s h GLN 6 Cb 1.11 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 2k1s h GLN 6 CO 0.09 1.01 0.20 1.49 -1.93 0.00 0.00 178.83 179.69 2k1s h GLU 7 N 0.53 0.40 -0.39 1.69 4.81 -0.51 -1.30 114.58 119.81 2k1s h GLU 7 Ca 0.06 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2k1s h GLU 7 Cb 0.85 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 2k1s h GLU 7 CO 0.07 0.26 0.19 0.00 -0.73 0.00 0.00 179.01 178.81 2k1s h ALA 8 N 1.14 0.48 -0.50 2.92 0.00 -0.51 0.24 119.26 123.02 2k1s h ALA 8 Ca 0.13 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2k1s h ALA 8 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2k1s h ALA 8 CO -0.05 -0.17 0.05 0.87 0.00 0.00 0.00 179.25 179.95 2k1s h LYS 9 N 0.40 0.81 -0.37 0.00 1.57 -1.19 -0.66 116.57 117.12 2k1s h LYS 9 Ca 0.17 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2k1s h LYS 9 Cb 0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2k1s h LYS 9 CO -0.12 0.78 0.02 -0.07 -0.57 0.00 0.00 179.45 179.50 2k1s h LEU 10 N 0.76 0.61 -1.81 2.94 3.38 -0.57 -2.08 115.31 118.55 2k1s h LEU 10 Ca 0.16 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2k1s h LEU 10 Cb 0.39 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2k1s h LEU 10 CO 0.01 0.75 -0.15 -0.09 0.09 0.00 0.00 178.44 179.06 2k1s h ARG 11 N 0.46 0.00 -0.04 1.13 2.43 -0.14 0.43 114.38 118.64 2k1s h ARG 11 Ca 0.11 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 2k1s h ARG 11 Cb 0.42 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2k1s h ARG 11 CO 0.01 0.15 -0.65 0.22 -1.51 0.00 0.00 179.97 178.19 2k1s h ASP 12 N 0.00 0.17 0.63 -3.80 3.58 -0.82 -3.23 116.42 112.96 2k1s h ASP 12 Ca -0.00 -0.10 -0.27 0.00 0.42 0.00 0.00 57.03 57.07 2k1s h ASP 12 Cb 0.33 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 2k1s h ASP 12 CO 0.02 0.77 -1.42 0.11 -2.88 0.00 0.00 179.24 175.84 2k1s h LYS 13 N 0.10 0.09 -1.03 0.28 1.57 -0.36 -3.34 116.57 113.89 2k1s h LYS 13 Ca -0.01 -0.16 -0.20 0.00 -1.87 0.00 0.00 60.65 58.42 2k1s h LYS 13 Cb 1.16 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.42 2k1s h LYS 13 CO 0.09 0.89 0.25 -1.33 -0.57 0.00 0.00 179.45 178.78 2k1s n MET 14 N -3.29 1.47 -0.08 3.15 2.81 0.13 -4.59 117.12 116.72 2k1s n MET 14 Ca -0.12 -1.12 -0.02 0.00 -1.81 0.00 0.00 57.70 54.63 2k1s n MET 14 Cb 1.01 -1.44 -0.02 0.00 -0.71 0.00 0.00 33.22 32.06 2k1s n MET 14 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2k1s n ARG 15 N -0.07 -0.09 -2.25 0.03 5.12 -1.24 -3.90 116.66 114.27 2k1s n ARG 15 Ca 0.22 1.07 0.01 0.00 -1.93 0.00 0.00 57.85 57.22 2k1s n ARG 15 Cb 0.92 -1.60 0.04 0.00 -1.16 0.00 0.00 32.46 30.66 2k1s n ARG 15 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k1s n GLY 16 N -1.05 1.79 0.11 -0.13 0.00 -1.26 -4.84 105.19 99.80 2k1s n GLY 16 Ca 0.00 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 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 5.85 1.54 0.00 2.61 1.35 -1.84 -3.47 112.91 118.95 2k1s h THR 17 Ca -0.15 -2.74 0.00 0.00 -0.55 0.00 0.00 66.41 62.97 2k1s h THR 17 Cb 1.51 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 70.45 2k1s h THR 17 CO 0.17 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.84 2k1s n GLY 18 N 0.92 1.25 3.66 5.82 0.00 -1.26 -4.92 105.19 110.66 2k1s n GLY 18 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.07 4.45 -0.44 1.61 1.01 -1.26 -4.54 120.40 119.17 2k1s s VAL 19 Ca 0.00 1.74 -0.18 0.00 0.00 0.00 0.00 61.98 63.55 2k1s s VAL 19 Cb 0.00 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.24 2k1s s VAL 19 CO 0.00 -0.20 0.48 -0.44 0.00 0.00 0.00 175.10 174.94 2k1s s SER 20 N 1.69 6.21 -0.44 3.32 0.01 -0.22 -4.90 113.70 119.37 2k1s s SER 20 Ca 0.50 -0.70 -0.29 0.00 1.31 0.00 0.00 55.95 56.77 2k1s s SER 20 Cb -0.18 -2.24 0.03 0.00 0.21 0.00 0.00 66.02 63.84 2k1s s SER 20 CO 0.12 -0.64 1.10 -0.69 0.41 0.00 0.00 173.24 173.53 2k1s s VAL 21 N 2.24 4.30 -0.24 3.43 1.01 -1.26 -0.49 120.40 129.40 2k1s s VAL 21 Ca 0.13 1.28 -0.03 0.00 0.00 0.00 0.00 61.98 63.37 2k1s s VAL 21 Cb -0.17 -4.55 0.01 0.00 0.00 0.00 0.00 36.38 31.67 2k1s s VAL 21 CO 0.14 -0.88 -0.05 -0.89 0.00 0.00 0.00 175.10 173.41 2k1s s THR 22 N 4.21 3.10 -0.06 3.92 2.01 0.14 -4.99 115.64 123.97 2k1s s THR 22 Ca 0.46 -0.79 -0.26 0.00 0.31 0.00 0.00 61.69 61.42 2k1s s THR 22 Cb -0.08 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 2k1s s THR 22 CO 0.28 0.30 0.81 -0.60 -0.69 0.00 0.00 174.62 174.71 2k1s s ARG 23 N 1.40 4.46 -0.33 4.92 6.06 -1.26 -0.13 118.95 134.06 2k1s s ARG 23 Ca 0.03 1.07 0.01 0.00 -2.50 0.00 0.00 55.73 54.34 2k1s s ARG 23 Cb -0.15 -3.47 0.15 0.00 0.06 0.00 0.00 34.95 31.53 2k1s s ARG 23 CO -0.04 -0.03 0.34 0.45 -2.50 0.00 0.00 175.30 173.52 2k1s s SER 24 N 0.91 1.45 -0.66 -2.12 0.15 -0.26 -4.96 113.70 108.21 2k1s s SER 24 Ca 0.42 -1.24 -0.04 0.00 0.70 0.00 0.00 55.95 55.78 2k1s s SER 24 Cb -0.19 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 2k1s s SER 24 CO 0.20 -0.32 0.67 0.61 1.20 0.00 0.00 173.24 175.61 2k1s n GLY 25 N 4.70 -1.26 5.00 9.45 0.00 -1.26 -3.24 105.19 118.58 2k1s n GLY 25 Ca 0.05 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -1.38 0.00 -4.74 1.61 8.00 -1.26 -4.89 116.55 113.88 2k1s n ASP 26 Ca 0.03 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.12 2k1s n ASP 26 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 2k1s n ASP 26 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2k1s s ASN 27 N 0.00 6.78 -0.33 -2.24 3.84 -1.20 -4.99 114.94 116.80 2k1s s ASN 27 Ca 0.00 2.54 -0.10 0.00 0.21 0.00 0.00 52.86 55.51 2k1s s ASN 27 Cb 0.00 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 38.08 2k1s s ASN 27 CO 0.00 -0.61 0.18 -0.63 -2.79 0.00 0.00 177.10 173.25 2k1s s ILE 28 N -0.01 4.67 -0.37 -5.21 1.01 -0.95 -1.10 121.20 119.25 2k1s s ILE 28 Ca 0.57 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 60.57 2k1s s ILE 28 Cb -0.39 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2k1s s ILE 28 CO 0.41 -0.02 0.25 -0.63 0.00 0.00 0.00 174.94 174.95 2k1s s ILE 29 N 1.61 5.14 -0.53 2.92 1.09 0.82 -0.20 121.20 132.04 2k1s s ILE 29 Ca 0.04 -0.46 -0.21 0.00 -1.10 0.00 0.00 60.65 58.93 2k1s s ILE 29 Cb -0.18 -3.74 0.06 0.00 -1.06 0.00 0.00 42.46 37.54 2k1s s ILE 29 CO 0.07 -0.13 0.73 -0.76 -0.10 0.00 0.00 174.94 174.74 2k1s s LEU 30 N 1.68 4.75 -0.72 2.97 1.02 0.41 0.23 118.68 129.03 2k1s s LEU 30 Ca 0.05 -0.82 -0.26 0.00 0.02 0.00 0.00 54.13 53.12 2k1s s LEU 30 Cb -0.18 -2.53 0.04 0.00 0.02 0.00 0.00 46.19 43.54 2k1s s LEU 30 CO 0.10 -1.02 1.21 0.20 0.02 0.00 0.00 176.35 176.86 2k1s s ASN 31 N 2.85 6.16 -0.40 2.29 -0.87 0.36 -1.61 114.94 123.73 2k1s s ASN 31 Ca 0.19 -0.57 -0.14 0.00 -1.57 0.00 0.00 52.86 50.76 2k1s s ASN 31 Cb -0.18 -2.53 0.02 0.00 -0.02 0.00 0.00 41.25 38.54 2k1s s ASN 31 CO 0.13 -1.75 0.28 -0.04 -2.57 0.00 0.00 177.10 173.15 2k1s s MET 32 N 5.37 2.96 0.44 -0.60 -1.94 0.11 -1.05 119.30 124.59 2k1s s MET 32 Ca 0.32 -1.02 -0.26 0.00 -1.71 0.00 0.00 55.69 53.03 2k1s s MET 32 Cb -0.10 -3.93 -0.08 0.00 2.01 0.00 0.00 34.83 32.72 2k1s s MET 32 CO 0.14 -0.73 1.41 -2.14 -0.01 0.00 0.00 175.02 173.68 2k1s s PRO 33 N 1.66 3.77 0.26 2.03 0.02 -1.26 0.30 135.00 141.77 2k1s s PRO 33 Ca 0.05 2.38 -0.03 0.00 0.02 0.00 0.00 61.00 63.41 2k1s s PRO 33 Cb -0.19 -2.70 0.38 0.00 0.02 0.00 0.00 34.50 32.02 2k1s s PRO 33 CO 0.09 -0.74 1.87 -0.97 -0.33 0.00 0.00 177.00 176.93 2k1s h ASN 34 N 2.44 0.96 -0.63 2.53 -1.24 -1.59 -2.69 115.58 115.35 2k1s h ASN 34 Ca -0.51 0.01 0.10 0.00 0.71 0.00 0.00 56.30 56.61 2k1s h ASN 34 Cb 1.26 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 40.08 2k1s h ASN 34 CO 0.62 0.61 0.42 0.78 -1.29 0.00 0.00 177.43 178.57 2k1s h ASN 35 N 1.10 0.42 -0.31 1.15 2.35 -1.81 0.17 115.58 118.65 2k1s h ASN 35 Ca 0.41 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 2k1s h ASN 35 Cb 0.18 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2k1s h ASN 35 CO -0.18 0.25 0.00 1.33 -1.65 0.00 0.00 177.43 177.19 2k1s n VAL 36 N -4.48 0.45 -0.00 2.81 0.24 -1.03 -4.57 118.33 111.76 2k1s n VAL 36 Ca 0.10 -0.73 -0.01 0.00 -2.04 0.00 0.00 64.34 61.67 2k1s n VAL 36 Cb 0.36 1.01 -0.00 0.00 -1.47 0.00 0.00 33.84 33.74 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 1.27 0.04 -4.66 3.34 -1.04 -0.45 -3.36 114.28 109.42 2k1s n THR 37 Ca 0.16 -0.01 -0.29 0.00 -2.04 0.00 0.00 64.05 61.88 2k1s n THR 37 Cb 0.55 -1.40 -0.06 0.00 -1.82 0.00 0.00 70.33 67.60 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 -2.97 0.93 -2.48 -1.42 3.01 0.46 -0.88 117.46 114.11 2k1s n PHE 38 Ca -0.01 -2.30 0.00 0.00 1.01 0.00 0.00 57.45 56.15 2k1s n PHE 38 Cb 0.51 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 2k1s n PHE 38 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2k1s n ASP 39 N -1.32 0.00 0.25 4.37 5.75 -1.13 -4.59 116.55 119.89 2k1s n ASP 39 Ca -0.17 -0.70 -0.10 0.00 -0.01 0.00 0.00 54.79 53.80 2k1s n ASP 39 Cb 0.58 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.62 2k1s n ASP 39 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 2k1s h SER 40 N 0.00 -0.57 -2.39 -1.12 0.87 -1.95 -3.42 113.55 104.97 2k1s h SER 40 Ca 0.00 0.02 -0.59 0.00 -1.23 0.00 0.00 61.79 59.99 2k1s h SER 40 Cb 0.00 0.15 -0.38 0.00 -0.44 0.00 0.00 62.40 61.73 2k1s h SER 40 CO 0.00 -0.31 -0.96 -0.55 -0.53 0.00 0.00 176.83 174.48 2k1s s SER 41 N -3.75 1.59 -0.00 6.23 0.15 -1.26 -5.08 113.70 111.57 2k1s s SER 41 Ca -0.10 -2.97 -0.08 0.00 0.70 0.00 0.00 55.95 53.50 2k1s s SER 41 Cb 0.01 -0.43 0.03 0.00 -1.71 0.00 0.00 66.02 63.92 2k1s s SER 41 CO 0.29 -0.19 0.37 -0.24 1.20 0.00 0.00 173.24 174.68 2k1s n SER 42 N 2.97 -0.36 -1.53 5.45 2.88 -1.26 -5.00 113.62 116.77 2k1s n SER 42 Ca 0.28 -1.08 -0.05 0.00 -1.33 0.00 0.00 58.87 56.69 2k1s n SER 42 Cb 0.47 0.55 0.24 0.00 -0.75 0.00 0.00 64.21 64.72 2k1s n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k1s n ALA 43 N -2.40 4.31 -2.66 -1.46 0.00 -1.26 -4.74 120.51 112.30 2k1s n ALA 43 Ca -0.03 -2.67 -0.43 0.00 0.00 0.00 0.00 53.44 50.31 2k1s n ALA 43 Cb 0.17 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 -3.09 4.69 -0.09 0.00 2.01 -1.26 -4.90 115.64 113.00 2k1s s THR 44 Ca 0.49 2.02 -0.26 0.00 0.31 0.00 0.00 61.69 64.25 2k1s s THR 44 Cb 0.41 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2k1s s THR 44 CO 0.08 -0.17 0.86 -0.76 -0.69 0.00 0.00 174.62 173.93 2k1s s LEU 45 N 3.15 4.27 0.66 4.42 1.43 -1.26 -2.82 118.68 128.54 2k1s s LEU 45 Ca 0.44 1.35 -0.17 0.00 -1.03 0.00 0.00 54.13 54.72 2k1s s LEU 45 Cb -0.15 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.75 2k1s s LEU 45 CO 0.06 -0.29 1.20 -0.54 0.23 0.00 0.00 176.35 177.01 2k1s s LYS 46 N 1.48 2.56 0.25 1.70 1.02 -0.06 -4.67 119.74 122.02 2k1s s LYS 46 Ca 0.43 1.75 -0.04 0.00 0.02 0.00 0.00 55.97 58.12 2k1s s LYS 46 Cb -0.18 -1.89 0.50 0.00 -0.52 0.00 0.00 37.83 35.74 2k1s s LYS 46 CO 0.19 -1.50 1.68 -1.35 -0.92 0.00 0.00 175.35 173.44 2k1s h PRO 47 N 0.23 0.26 -0.23 -1.68 0.11 -1.94 0.49 132.00 129.24 2k1s h PRO 47 Ca -0.49 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 2k1s h PRO 47 Cb 1.29 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2k1s h PRO 47 CO 0.52 0.17 -0.22 0.00 -0.21 0.00 0.00 178.00 178.27 2k1s h ALA 48 N 1.64 0.34 -0.47 -0.75 0.00 -1.91 -2.84 119.26 115.26 2k1s h ALA 48 Ca 0.44 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2k1s h ALA 48 Cb 0.76 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2k1s h ALA 48 CO -0.53 0.29 0.31 0.78 0.00 0.00 0.00 179.25 180.10 2k1s h GLY 49 N 0.25 0.66 0.97 0.00 0.00 -1.20 0.10 103.07 103.85 2k1s h GLY 49 Ca 0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2k1s h GLY 49 CO 0.05 0.24 0.14 0.00 0.00 0.00 0.00 176.54 176.97 2k1s h ALA 50 N 1.18 0.30 -0.27 3.60 0.00 -0.13 0.67 119.26 124.61 2k1s h ALA 50 Ca 0.17 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2k1s h ALA 50 Cb -0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2k1s h ALA 50 CO -0.04 -0.19 -0.19 -0.91 0.00 0.00 0.00 179.25 177.92 2k1s h ASN 51 N 0.29 0.47 -0.05 0.00 2.35 -1.30 0.15 115.58 117.50 2k1s h ASN 51 Ca 0.09 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2k1s h ASN 51 Cb 0.03 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 2k1s h ASN 51 CO -0.02 0.67 0.02 0.74 -1.65 0.00 0.00 177.43 177.20 2k1s h THR 52 N 0.43 1.10 -0.75 2.81 2.02 -0.35 -1.44 112.91 116.73 2k1s h THR 52 Ca 0.07 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.98 2k1s h THR 52 Cb 0.58 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 2k1s h THR 52 CO 0.04 0.08 0.50 -0.07 0.37 0.00 0.00 175.52 176.44 2k1s h LEU 53 N -0.03 0.86 -0.58 2.58 3.38 -0.53 -0.59 115.31 120.40 2k1s h LEU 53 Ca 0.02 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2k1s h LEU 53 Cb 0.11 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2k1s h LEU 53 CO -0.00 0.62 0.34 0.74 0.09 0.00 0.00 178.44 180.23 2k1s h THR 54 N 1.02 1.04 -0.24 0.22 2.02 -0.66 0.81 112.91 117.12 2k1s h THR 54 Ca 0.28 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 67.13 2k1s h THR 54 Cb -0.11 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 2k1s h THR 54 CO -0.06 0.12 -0.27 1.23 0.37 0.00 0.00 175.52 176.91 2k1s h GLY 55 N 0.67 0.51 0.83 2.16 0.00 -0.29 0.40 103.07 107.36 2k1s h GLY 55 Ca 0.24 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2k1s h GLY 55 CO -0.11 0.39 -0.20 -2.08 0.00 0.00 0.00 176.54 174.53 2k1s h VAL 56 N 0.42 0.57 0.00 4.60 2.07 -0.48 -2.61 116.25 120.81 2k1s h VAL 56 Ca 0.06 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2k1s h VAL 56 Cb 0.69 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2k1s h VAL 56 CO 0.05 0.05 -0.09 0.00 0.02 0.00 0.00 177.57 177.60 2k1s h ALA 57 N -0.25 1.75 0.32 1.67 0.00 -0.79 -0.75 119.26 121.21 2k1s h ALA 57 Ca -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k1s h ALA 57 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k1s h ALA 57 CO 0.10 0.12 -0.25 1.98 0.00 0.00 0.00 179.25 181.19 2k1s h MET 58 N 0.00 -0.55 0.00 0.00 -1.53 -0.76 0.47 114.93 112.56 2k1s h MET 58 Ca -0.00 0.04 -0.08 0.00 -3.44 0.00 0.00 59.70 56.21 2k1s h MET 58 Cb 0.17 0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.34 2k1s h MET 58 CO 0.01 -0.37 -0.40 0.28 0.14 0.00 0.00 176.91 176.57 2k1s h VAL 59 N -0.58 1.11 0.00 -5.77 2.07 -1.03 -1.31 116.25 110.74 2k1s h VAL 59 Ca -0.02 -1.47 -0.10 0.00 0.82 0.00 0.00 66.70 65.93 2k1s h VAL 59 Cb 0.51 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2k1s h VAL 59 CO -0.01 0.39 -0.47 -0.07 0.02 0.00 0.00 177.57 177.43 2k1s h LEU 60 N 0.00 0.00 0.00 2.57 3.38 -0.82 -0.53 115.31 119.91 2k1s h LEU 60 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 2k1s h LEU 60 Cb 0.80 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2k1s h LEU 60 CO 0.05 0.47 -0.94 0.50 0.09 0.00 0.00 178.44 178.61 2k1s h LYS 61 N 0.00 0.00 -0.61 1.13 3.64 -0.30 -2.34 116.57 118.09 2k1s h LYS 61 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2k1s h LYS 61 Cb 0.83 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 2k1s h LYS 61 CO 0.06 0.66 0.15 0.93 -2.27 0.00 0.00 179.45 178.98 2k1s h GLU 62 N 0.00 0.98 -2.79 1.90 5.08 -0.89 -3.36 114.58 115.50 2k1s h GLU 62 Ca -0.06 -0.24 -0.61 0.00 -1.00 0.00 0.00 59.36 57.46 2k1s h GLU 62 Cb 1.62 -0.13 -0.40 0.00 0.50 0.00 0.00 28.75 30.34 2k1s h GLU 62 CO 0.09 0.90 -0.74 0.66 -1.00 0.00 0.00 179.01 178.92 2k1s n TYR 63 N -4.34 1.55 -0.76 4.33 4.01 -0.24 -4.99 117.16 116.72 2k1s n TYR 63 Ca 0.03 -3.90 -0.10 0.00 -0.16 0.00 0.00 57.90 53.77 2k1s n TYR 63 Cb 0.24 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 2k1s n TYR 63 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2k1s n PRO 64 N 2.31 1.50 -0.36 -0.72 -0.04 -0.89 -3.97 135.00 132.84 2k1s n PRO 64 Ca 0.24 -0.90 0.07 0.00 -0.04 0.00 0.00 63.50 62.87 2k1s n PRO 64 Cb 0.40 -1.40 0.22 0.00 -0.04 0.00 0.00 33.50 32.68 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 1.00 2.95 -4.62 0.54 4.76 -1.26 -4.96 118.16 116.58 2k1s n LYS 65 Ca 0.19 -2.56 -0.31 0.00 -2.87 0.00 0.00 58.31 52.76 2k1s n LYS 65 Cb 0.56 -1.64 -0.12 0.00 -1.84 0.00 0.00 35.03 31.99 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 -2.14 3.04 -0.08 -0.18 -4.23 -1.25 -1.43 115.64 109.37 2k1s s THR 66 Ca 0.36 -1.05 -0.21 0.00 -1.18 0.00 0.00 61.69 59.61 2k1s s THR 66 Cb 0.26 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 2k1s s THR 66 CO 0.12 0.37 0.61 0.00 -0.54 0.00 0.00 174.62 175.17 2k1s s ALA 67 N -0.94 3.40 -0.72 3.99 0.00 0.26 -4.76 121.76 123.00 2k1s s ALA 67 Ca 0.15 0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.92 2k1s s ALA 67 Cb -0.11 -2.82 0.11 0.00 0.00 0.00 0.00 23.12 20.30 2k1s s ALA 67 CO 0.06 -0.04 0.90 0.08 0.00 0.00 0.00 175.76 176.76 2k1s s VAL 68 N 0.63 4.72 -0.25 0.00 1.01 -0.12 -2.52 120.40 123.87 2k1s s VAL 68 Ca 0.33 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 2k1s s VAL 68 Cb -0.17 -4.62 -0.03 0.00 0.00 0.00 0.00 36.38 31.56 2k1s s VAL 68 CO 0.15 -1.32 0.50 0.20 0.00 0.00 0.00 175.10 174.64 2k1s s ASN 69 N 3.53 6.45 -0.39 3.32 -0.87 -0.93 -0.20 114.94 125.84 2k1s s ASN 69 Ca 0.21 0.54 -0.04 0.00 -1.57 0.00 0.00 52.86 52.00 2k1s s ASN 69 Cb -0.16 -2.28 0.10 0.00 -0.02 0.00 0.00 41.25 38.89 2k1s s ASN 69 CO 0.02 -0.25 0.18 -0.69 -2.57 0.00 0.00 177.10 173.79 2k1s s VAL 70 N 2.12 3.37 -0.30 1.60 1.01 0.41 0.02 120.40 128.64 2k1s s VAL 70 Ca 0.21 -1.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.16 2k1s s VAL 70 Cb -0.16 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 2k1s s VAL 70 CO 0.09 -0.58 0.46 -0.63 0.00 0.00 0.00 175.10 174.44 2k1s s ILE 71 N 1.20 5.09 -0.21 2.22 1.01 -0.08 -0.34 121.20 130.09 2k1s s ILE 71 Ca 0.05 0.55 -0.09 0.00 0.00 0.00 0.00 60.65 61.17 2k1s s ILE 71 Cb -0.22 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 2k1s s ILE 71 CO -0.03 0.00 0.10 -0.83 0.00 0.00 0.00 174.94 174.19 2k1s s GLY 72 N 1.66 1.93 0.48 6.18 0.00 0.26 -0.78 107.32 117.05 2k1s s GLY 72 Ca 0.18 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 44.13 2k1s s GLY 72 CO 0.11 0.23 0.32 -0.19 0.00 0.00 0.00 173.10 173.57 2k1s s TYR 73 N 0.73 2.12 -0.27 1.90 1.51 -0.49 -1.15 117.35 121.71 2k1s s TYR 73 Ca 0.05 -0.71 -0.33 0.00 -1.01 0.00 0.00 57.07 55.08 2k1s s TYR 73 Cb -0.13 -1.97 0.17 0.00 -0.11 0.00 0.00 41.96 39.93 2k1s s TYR 73 CO 0.02 -0.19 1.33 -0.08 -1.11 0.00 0.00 175.55 175.52 2k1s s THR 74 N -2.67 0.00 -0.21 -0.71 -1.32 -1.17 -4.38 115.64 105.19 2k1s s THR 74 Ca 0.37 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.71 2k1s s THR 74 Cb -0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 2k1s s THR 74 CO 0.22 0.00 0.34 1.51 -2.21 0.00 0.00 174.62 174.48 2k1s s ASP 75 N -1.43 6.36 -0.29 8.08 -4.77 -1.26 -2.64 116.67 120.71 2k1s s ASP 75 Ca 0.09 0.42 -0.24 0.00 -3.30 0.00 0.00 52.55 49.52 2k1s s ASP 75 Cb -0.01 -2.20 0.17 0.00 -1.09 0.00 0.00 42.92 39.79 2k1s s ASP 75 CO -0.06 -0.03 1.28 -0.55 0.70 0.00 0.00 175.17 176.51 2k1s s SER 76 N 1.02 -0.20 -0.19 2.11 0.15 -1.26 -5.03 113.70 110.29 2k1s s SER 76 Ca 0.16 0.39 -0.01 0.00 0.70 0.00 0.00 55.95 57.19 2k1s s SER 76 Cb -0.14 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2k1s s SER 76 CO 0.07 -0.07 -0.12 -0.89 1.20 0.00 0.00 173.24 173.43 2k1s s THR 77 N 0.20 2.82 0.00 6.45 2.01 -1.26 -4.75 115.64 121.11 2k1s s THR 77 Ca 0.05 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.35 2k1s s THR 77 Cb -0.05 -2.23 0.00 0.00 0.01 0.00 0.00 72.50 70.23 2k1s s THR 77 CO -0.12 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 2k1s n GLY 78 N 4.51 2.07 3.56 4.40 0.00 -1.26 -4.95 105.19 113.52 2k1s n GLY 78 Ca -0.19 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.30 0.47 -0.02 0.00 -1.26 -4.76 107.32 101.44 2k1s s GLY 79 Ca 0.00 -1.12 0.14 0.00 0.00 0.00 0.00 44.72 43.74 2k1s s GLY 79 CO 0.00 3.85 2.05 1.12 0.00 0.00 0.00 173.10 180.12 2k1s h HIS 80 N 12.25 0.06 0.01 1.90 2.07 -1.97 -1.42 115.15 128.06 2k1s h HIS 80 Ca 0.03 -0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.55 2k1s h HIS 80 Cb 1.01 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.97 2k1s h HIS 80 CO 1.18 0.14 -0.01 0.22 -3.07 0.00 0.00 177.93 176.40 2k1s h ASP 81 N 0.06 -0.01 -0.18 3.10 3.58 -2.00 -2.13 116.42 118.83 2k1s h ASP 81 Ca 0.01 -0.27 -0.09 0.00 0.42 0.00 0.00 57.03 57.11 2k1s h ASP 81 Cb 0.18 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2k1s h ASP 81 CO 0.01 0.26 -0.17 -0.07 -2.88 0.00 0.00 179.24 176.40 2k1s h LEU 82 N -0.29 0.58 -0.10 2.28 3.38 -1.89 -1.55 115.31 117.72 2k1s h LEU 82 Ca -0.00 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.83 2k1s h LEU 82 Cb 0.29 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 2k1s h LEU 82 CO 0.00 0.76 -0.18 0.78 0.09 0.00 0.00 178.44 179.90 2k1s h ASN 83 N 0.53 -0.54 -0.22 -0.43 2.35 -1.12 -0.79 115.58 115.37 2k1s h ASN 83 Ca 0.09 0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.84 2k1s h ASN 83 Cb 0.59 0.25 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 2k1s h ASN 83 CO 0.04 -0.23 -0.21 0.24 -1.65 0.00 0.00 177.43 175.62 2k1s h MET 84 N -0.23 0.53 -0.12 0.81 2.86 -1.19 -1.94 114.93 115.64 2k1s h MET 84 Ca 0.09 -0.28 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 2k1s h MET 84 Cb 0.36 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 2k1s h MET 84 CO -0.24 0.86 -0.02 0.00 1.06 0.00 0.00 176.91 178.57 2k1s h ARG 85 N 0.22 0.01 0.27 1.72 3.08 -1.18 -1.36 114.38 117.13 2k1s h ARG 85 Ca 0.04 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2k1s h ARG 85 Cb 0.76 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2k1s h ARG 85 CO 0.05 0.01 -0.13 1.25 -1.07 0.00 0.00 179.97 180.08 2k1s h LEU 86 N 0.01 -0.30 -0.81 3.04 7.12 -1.14 -2.63 115.31 120.60 2k1s h LEU 86 Ca 0.06 -0.21 -0.08 0.00 0.13 0.00 0.00 57.88 57.78 2k1s h LEU 86 Cb 0.08 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.27 2k1s h LEU 86 CO -0.11 0.09 0.03 0.77 -0.13 0.00 0.00 178.44 179.09 2k1s h SER 87 N -0.74 0.89 -0.46 1.25 4.64 -1.37 -1.90 113.55 115.85 2k1s h SER 87 Ca -0.04 -0.22 -0.09 0.00 -0.47 0.00 0.00 61.79 60.98 2k1s h SER 87 Cb 0.50 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 2k1s h SER 87 CO 0.06 0.93 -0.05 -0.61 -0.87 0.00 0.00 176.83 176.29 2k1s h GLN 88 N 0.86 0.85 -0.03 4.77 5.75 -1.30 -1.72 115.11 124.29 2k1s h GLN 88 Ca 0.17 -0.30 -0.10 0.00 -0.15 0.00 0.00 58.65 58.27 2k1s h GLN 88 Cb 0.46 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 2k1s h GLN 88 CO 0.02 0.93 -0.44 1.96 -2.65 0.00 0.00 178.83 178.65 2k1s h GLN 89 N 0.70 0.07 -0.02 1.69 4.20 -1.25 0.32 115.11 120.82 2k1s h GLN 89 Ca 0.13 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 2k1s h GLN 89 Cb 0.57 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 2k1s h GLN 89 CO 0.03 0.50 0.01 0.00 -0.67 0.00 0.00 178.83 178.71 2k1s h ARG 90 N 0.06 0.03 -0.33 1.46 2.47 -1.06 -0.21 114.38 116.81 2k1s h ARG 90 Ca 0.00 -0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 2k1s h ARG 90 Cb 0.81 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.10 2k1s h ARG 90 CO 0.06 0.15 -0.10 0.00 0.56 0.00 0.00 179.97 180.64 2k1s h ALA 91 N 0.88 1.22 -0.66 0.04 0.00 -0.98 -2.56 119.26 117.18 2k1s h ALA 91 Ca 0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2k1s h ALA 91 Cb 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2k1s h ALA 91 CO -0.00 0.51 0.14 0.22 0.00 0.00 0.00 179.25 180.12 2k1s h ASP 92 N 0.51 1.03 -0.57 0.00 3.58 -0.14 0.87 116.42 121.69 2k1s h ASP 92 Ca 0.10 -0.24 -0.05 0.00 0.42 0.00 0.00 57.03 57.25 2k1s h ASP 92 Cb 0.49 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 2k1s h ASP 92 CO 0.03 1.01 0.18 -1.28 -2.88 0.00 0.00 179.24 176.29 2k1s h SER 93 N 1.00 0.87 -0.33 2.28 0.87 -0.78 -0.47 113.55 116.99 2k1s h SER 93 Ca 0.21 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.55 2k1s h SER 93 Cb 0.39 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2k1s h SER 93 CO 0.01 0.82 -0.04 0.58 -0.53 0.00 0.00 176.83 177.67 2k1s h VAL 94 N 0.90 1.27 0.62 2.23 2.07 -1.04 -1.86 116.25 120.44 2k1s h VAL 94 Ca 0.20 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 2k1s h VAL 94 Cb 0.28 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2k1s h VAL 94 CO -0.01 0.34 -0.38 0.00 0.02 0.00 0.00 177.57 177.55 2k1s h ALA 95 N 0.82 -0.96 -0.66 1.67 0.00 -0.46 -0.53 119.26 119.14 2k1s h ALA 95 Ca 0.09 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2k1s h ALA 95 Cb 0.51 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2k1s h ALA 95 CO 0.02 -1.05 0.43 0.66 0.00 0.00 0.00 179.25 179.31 2k1s h SER 96 N -0.94 0.57 0.29 0.00 4.64 -1.14 0.92 113.55 117.89 2k1s h SER 96 Ca -0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 2k1s h SER 96 Cb 0.76 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2k1s h SER 96 CO 0.08 0.37 -0.14 0.00 -0.87 0.00 0.00 176.83 176.27 2k1s h ALA 97 N 1.64 -0.39 -0.73 5.18 0.00 -0.98 -2.31 119.26 121.68 2k1s h ALA 97 Ca 0.28 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2k1s h ALA 97 Cb 0.28 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2k1s h ALA 97 CO -0.09 -0.71 0.38 -0.07 0.00 0.00 0.00 179.25 178.75 2k1s h LEU 98 N -0.40 0.93 -1.42 0.00 3.38 -0.00 -1.11 115.31 116.69 2k1s h LEU 98 Ca -0.04 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.92 2k1s h LEU 98 Cb 0.30 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2k1s h LEU 98 CO 0.07 0.77 0.47 0.40 0.09 0.00 0.00 178.44 180.23 2k1s h ILE 99 N 1.03 0.98 -0.51 1.22 2.04 -0.71 -1.67 117.51 119.89 2k1s h ILE 99 Ca 0.26 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 2k1s h ILE 99 Cb 0.07 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 2k1s h ILE 99 CO -0.04 0.12 0.22 0.74 0.00 0.00 0.00 178.15 179.19 2k1s h THR 100 N 0.68 1.18 -0.00 -0.27 2.02 -0.62 -1.27 112.91 114.64 2k1s h THR 100 Ca 0.32 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2k1s h THR 100 Cb 0.36 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2k1s h THR 100 CO -0.11 0.22 -0.03 0.00 0.37 0.00 0.00 175.52 175.97 2k1s n GLN 101 N -4.36 0.70 0.00 6.66 3.00 -0.67 -4.86 117.38 117.85 2k1s n GLN 101 Ca 0.04 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2k1s n GLN 101 Cb 0.15 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.89 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 1.20 1.28 3.72 1.08 0.00 -0.48 -4.91 105.19 107.08 2k1s n GLY 102 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 4.59 0.34 1.61 1.01 -0.92 -4.99 120.40 120.04 2k1s s VAL 103 Ca 0.00 1.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.69 2k1s s VAL 103 Cb 0.00 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 2k1s s VAL 103 CO 0.00 0.23 1.43 -1.81 0.00 0.00 0.00 175.10 174.95 2k1s s ASP 104 N 0.51 6.52 0.22 3.32 1.11 -1.26 -3.97 116.67 123.11 2k1s s ASP 104 Ca 0.50 2.88 0.01 0.00 0.18 0.00 0.00 52.55 56.13 2k1s s ASP 104 Cb -0.23 -2.65 0.19 0.00 1.07 0.00 0.00 42.92 41.30 2k1s s ASP 104 CO 0.29 -0.74 1.54 0.00 1.18 0.00 0.00 175.17 177.44 2k1s h ALA 105 N 3.50 0.79 0.00 5.23 0.00 -1.94 -3.15 119.26 123.68 2k1s h ALA 105 Ca -0.49 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 53.89 2k1s h ALA 105 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2k1s h ALA 105 CO 0.67 0.71 0.00 0.43 0.00 0.00 0.00 179.25 181.06 2k1s n SER 106 N -3.91 0.71 -0.78 0.00 7.64 -1.26 -2.15 113.62 113.87 2k1s n SER 106 Ca -0.03 0.62 0.12 0.00 1.01 0.00 0.00 58.87 60.60 2k1s n SER 106 Cb 0.61 -0.79 0.21 0.00 -1.01 0.00 0.00 64.21 63.24 2k1s n SER 106 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2k1s n ARG 107 N -2.22 2.02 -3.51 1.43 1.85 -1.19 -4.80 116.66 110.25 2k1s n ARG 107 Ca 0.04 -1.56 -0.42 0.00 -1.00 0.00 0.00 57.85 54.91 2k1s n ARG 107 Cb 0.32 -1.47 -0.10 0.00 -1.05 0.00 0.00 32.46 30.16 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 4.97 -0.44 8.89 1.01 -0.91 -0.95 121.20 131.71 2k1s s ILE 108 Ca 0.30 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 60.00 2k1s s ILE 108 Cb 0.20 -3.80 0.05 0.00 0.01 0.00 0.00 42.46 38.92 2k1s s ILE 108 CO 0.34 -0.31 0.34 -0.60 0.00 0.00 0.00 174.94 174.70 2k1s s ARG 109 N 1.62 2.95 -0.36 2.79 3.52 0.72 -4.97 118.95 125.23 2k1s s ARG 109 Ca 0.04 -1.21 -0.19 0.00 -0.13 0.00 0.00 55.73 54.24 2k1s s ARG 109 Cb -0.20 -4.03 -0.00 0.00 -1.56 0.00 0.00 34.95 29.16 2k1s s ARG 109 CO 0.08 -0.90 0.54 0.95 -0.81 0.00 0.00 175.30 175.16 2k1s s THR 110 N 1.64 4.99 -0.31 4.11 -4.23 -1.26 -0.45 115.64 120.13 2k1s s THR 110 Ca 0.04 0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 60.89 2k1s s THR 110 Cb -0.22 -4.00 0.06 0.00 1.34 0.00 0.00 72.50 69.69 2k1s s THR 110 CO 0.08 -0.25 0.02 -1.10 -0.54 0.00 0.00 174.62 172.83 2k1s s GLN 111 N 2.46 2.30 -0.61 3.99 -0.21 0.54 -4.97 119.66 123.16 2k1s s GLN 111 Ca 0.20 -1.39 -0.23 0.00 0.02 0.00 0.00 55.36 53.96 2k1s s GLN 111 Cb -0.15 -3.22 0.06 0.00 1.00 0.00 0.00 33.01 30.70 2k1s s GLN 111 CO 0.14 -0.70 0.95 0.20 -2.12 0.00 0.00 175.29 173.76 2k1s s GLY 112 N 1.30 1.38 -0.18 3.09 0.00 -1.26 -0.57 107.32 111.08 2k1s s GLY 112 Ca -0.03 -1.56 0.18 0.00 0.00 0.00 0.00 44.72 43.31 2k1s s GLY 112 CO -0.02 2.05 0.10 1.04 0.00 0.00 0.00 173.10 176.28 2k1s n LEU 113 N 7.60 0.00 0.00 0.66 4.77 -0.30 -4.78 117.00 124.96 2k1s n LEU 113 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2k1s n LEU 113 Cb 0.46 0.44 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 2k1s n LEU 113 CO 0.64 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 2k1s n GLY 114 N 1.74 4.02 1.50 -0.72 0.00 -0.43 -1.55 105.19 109.75 2k1s n GLY 114 Ca -0.30 0.11 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 12.98 3.11 -0.11 1.61 -0.04 -1.08 -3.03 135.00 148.43 2k1s n PRO 115 Ca 0.00 -2.01 -0.06 0.00 -0.04 0.00 0.00 63.50 61.39 2k1s n PRO 115 Cb 0.00 -1.94 0.02 0.00 -0.04 0.00 0.00 33.50 31.54 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 2.82 0.42 -2.82 0.55 0.00 -1.62 -3.34 119.26 115.28 2k1s h ALA 116 Ca 0.10 0.05 -0.60 0.00 0.00 0.00 0.00 54.91 54.46 2k1s h ALA 116 Cb 1.64 0.05 -0.40 0.00 0.00 0.00 0.00 17.79 19.08 2k1s h ALA 116 CO 0.42 -0.29 -0.78 0.54 0.00 0.00 0.00 179.25 179.14 2k1s s ASN 117 N -5.34 3.27 -0.02 0.00 4.22 -1.26 -5.10 114.94 110.70 2k1s s ASN 117 Ca -0.13 -2.80 -0.30 0.00 -2.14 0.00 0.00 52.86 47.49 2k1s s ASN 117 Cb 0.12 -0.90 -0.06 0.00 1.28 0.00 0.00 41.25 41.70 2k1s s ASN 117 CO 0.71 -0.23 1.55 -2.84 -2.04 0.00 0.00 177.10 174.25 2k1s s PRO 118 N 0.18 4.22 0.00 3.55 0.02 -1.26 -4.88 135.00 136.84 2k1s s PRO 118 Ca 0.22 2.11 0.32 0.00 0.02 0.00 0.00 61.00 63.66 2k1s s PRO 118 Cb -0.16 -3.76 1.83 0.00 0.02 0.00 0.00 34.50 32.43 2k1s s PRO 118 CO -0.06 -0.73 2.19 0.44 -0.33 0.00 0.00 177.00 178.52 2k1s n ILE 119 N 5.06 0.00 -3.99 2.83 -5.35 -1.26 -4.84 119.36 111.82 2k1s n ILE 119 Ca 0.15 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.52 2k1s n ILE 119 Cb 0.43 -0.50 -0.03 0.00 -1.74 0.00 0.00 39.64 37.80 2k1s n ILE 119 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k1s s ALA 120 N -2.12 0.02 0.15 -1.28 0.00 -1.26 -5.04 121.76 112.23 2k1s s ALA 120 Ca 0.44 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 2k1s s ALA 120 Cb 0.22 1.01 -0.07 0.00 0.00 0.00 0.00 23.12 24.28 2k1s s ALA 120 CO 0.39 -0.86 0.99 0.45 0.00 0.00 0.00 175.76 176.72 2k1s s SER 121 N -3.11 7.48 0.00 0.00 0.15 -1.26 -4.90 113.70 112.05 2k1s s SER 121 Ca 0.24 1.89 0.15 0.00 0.70 0.00 0.00 55.95 58.92 2k1s s SER 121 Cb -0.02 -2.60 0.48 0.00 -1.71 0.00 0.00 66.02 62.17 2k1s s SER 121 CO 0.14 -0.06 1.37 0.59 1.20 0.00 0.00 173.24 176.48 2k1s n ASN 122 N 2.46 1.91 0.07 5.45 5.03 -1.26 -3.41 115.26 125.51 2k1s n ASN 122 Ca 0.02 -1.90 0.13 0.00 0.87 0.00 0.00 54.58 53.69 2k1s n ASN 122 Cb 0.48 -0.20 0.31 0.00 -1.02 0.00 0.00 39.78 39.35 2k1s n ASN 122 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2k1s n SER 123 N 0.52 0.71 -4.44 6.41 7.64 -1.26 -4.79 113.62 118.40 2k1s n SER 123 Ca 0.14 0.33 -0.32 0.00 1.01 0.00 0.00 58.87 60.03 2k1s n SER 123 Cb 0.32 -0.31 -0.14 0.00 -1.01 0.00 0.00 64.21 63.08 2k1s n SER 123 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2k1s s THR 124 N -3.12 2.80 0.51 0.44 -4.23 -1.22 -5.01 115.64 105.81 2k1s s THR 124 Ca 0.09 -0.89 0.16 0.00 -1.18 0.00 0.00 61.69 59.87 2k1s s THR 124 Cb 0.13 -2.09 0.26 0.00 1.34 0.00 0.00 72.50 72.15 2k1s s THR 124 CO 0.65 0.55 2.13 0.00 -0.54 0.00 0.00 174.62 177.41 2k1s h ALA 125 N 5.24 1.96 -0.25 3.99 0.00 -1.87 -1.46 119.26 126.86 2k1s h ALA 125 Ca -0.46 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2k1s h ALA 125 Cb 1.15 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2k1s h ALA 125 CO 0.49 0.03 -0.02 0.93 0.00 0.00 0.00 179.25 180.68 2k1s h GLU 126 N 0.00 0.46 -0.80 0.00 5.08 -1.95 0.11 114.58 117.49 2k1s h GLU 126 Ca 0.00 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2k1s h GLU 126 Cb 0.04 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2k1s h GLU 126 CO 0.00 0.65 0.34 0.78 -1.00 0.00 0.00 179.01 179.79 2k1s h GLY 127 N 0.23 1.27 1.02 -3.84 0.00 -1.49 -0.72 103.07 99.55 2k1s h GLY 127 Ca 0.07 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 2k1s h GLY 127 CO 0.02 0.64 0.37 0.50 0.00 0.00 0.00 176.54 178.06 2k1s h LYS 128 N 1.16 1.11 -0.64 4.80 1.57 -1.16 0.08 116.57 123.48 2k1s h LYS 128 Ca 0.27 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2k1s h LYS 128 Cb 0.18 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2k1s h LYS 128 CO -0.03 0.86 0.31 0.00 -0.57 0.00 0.00 179.45 180.02 2k1s h ALA 129 N 1.19 0.83 -0.37 3.86 0.00 -0.12 -2.55 119.26 122.10 2k1s h ALA 129 Ca 0.26 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2k1s h ALA 129 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2k1s h ALA 129 CO -0.03 0.39 -0.29 1.96 0.00 0.00 0.00 179.25 181.28 2k1s h GLN 130 N 0.89 0.85 -0.25 0.00 4.20 -0.93 -3.20 115.11 116.66 2k1s h GLN 130 Ca 0.22 -0.42 0.02 0.00 0.06 0.00 0.00 58.65 58.53 2k1s h GLN 130 Cb 0.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2k1s h GLN 130 CO -0.03 1.06 0.17 -0.97 -0.67 0.00 0.00 178.83 178.39 2k1s h ASN 131 N 0.65 0.21 -2.09 1.46 -1.24 -0.68 -3.37 115.58 110.53 2k1s h ASN 131 Ca 0.07 -0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.56 2k1s h ASN 131 Cb 0.87 -0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.82 2k1s h ASN 131 CO 0.08 0.15 1.27 -0.13 -1.29 0.00 0.00 177.43 177.51 2k1s s ARG 132 N -5.26 2.79 0.25 6.67 0.52 -0.99 -4.04 118.95 118.90 2k1s s ARG 132 Ca -0.06 0.36 -0.20 0.00 -0.52 0.00 0.00 55.73 55.30 2k1s s ARG 132 Cb 0.18 -4.33 0.03 0.00 0.52 0.00 0.00 34.95 31.34 2k1s s ARG 132 CO 0.71 -2.56 0.66 -0.98 0.02 0.00 0.00 175.30 173.14 2k1s s ARG 133 N 6.66 1.66 -0.12 3.54 1.70 -1.26 -1.50 118.95 129.63 2k1s s ARG 133 Ca 0.58 -0.92 0.01 0.00 -0.47 0.00 0.00 55.73 54.92 2k1s s ARG 133 Cb -0.11 0.59 0.02 0.00 -0.57 0.00 0.00 34.95 34.87 2k1s s ARG 133 CO 0.19 -0.75 -0.14 0.08 -1.08 0.00 0.00 175.30 173.60 2k1s s VAL 134 N -3.90 1.46 -0.38 4.99 1.01 0.15 -1.39 120.40 122.34 2k1s s VAL 134 Ca 0.10 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 2k1s s VAL 134 Cb -0.04 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 35.00 2k1s s VAL 134 CO 0.03 0.44 0.23 -1.61 0.00 0.00 0.00 175.10 174.19 2k1s s GLU 135 N 1.21 2.95 -0.51 2.72 2.02 0.04 -0.71 118.70 126.43 2k1s s GLU 135 Ca -0.02 -1.01 -0.24 0.00 0.02 0.00 0.00 54.97 53.73 2k1s s GLU 135 Cb -0.14 -3.79 0.04 0.00 0.10 0.00 0.00 34.13 30.33 2k1s s GLU 135 CO -0.05 -0.68 0.88 0.42 0.02 0.00 0.00 175.26 175.86 2k1s s ILE 136 N 1.61 4.50 -0.44 -1.63 1.01 -0.63 -0.90 121.20 124.71 2k1s s ILE 136 Ca 0.03 0.35 -0.15 0.00 0.00 0.00 0.00 60.65 60.89 2k1s s ILE 136 Cb -0.19 -4.45 0.05 0.00 0.01 0.00 0.00 42.46 37.88 2k1s s ILE 136 CO 0.08 -0.95 0.34 -0.89 0.00 0.00 0.00 174.94 173.52 2k1s s THR 137 N 3.67 5.16 -0.75 2.92 2.01 0.10 -0.44 115.64 128.32 2k1s s THR 137 Ca 0.31 -0.89 -0.22 0.00 0.31 0.00 0.00 61.69 61.20 2k1s s THR 137 Cb -0.12 -3.98 0.07 0.00 0.01 0.00 0.00 72.50 68.48 2k1s s THR 137 CO 0.21 -0.43 1.07 -0.76 -0.69 0.00 0.00 174.62 174.02 2k1s s LEU 138 N 1.64 4.29 0.08 4.42 1.43 0.72 -2.19 118.68 129.07 2k1s s LEU 138 Ca 0.04 -1.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.01 2k1s s LEU 138 Cb -0.22 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 2k1s s LEU 138 CO 0.08 -1.43 0.12 -0.55 0.23 0.00 0.00 176.35 174.80 2k1s s SER 139 N 3.78 5.74 0.38 2.29 0.15 -1.05 -2.23 113.70 122.77 2k1s s SER 139 Ca 0.28 0.05 -0.26 0.00 0.70 0.00 0.00 55.95 56.72 2k1s s SER 139 Cb -0.12 -1.60 -0.11 0.00 -1.71 0.00 0.00 66.02 62.47 2k1s s SER 139 CO 0.06 0.16 1.10 -2.65 1.20 0.00 0.00 173.24 173.11 2k1s n PRO 140 N 0.32 1.59 -2.13 5.44 -0.02 -1.26 0.93 135.00 139.87 2k1s n PRO 140 Ca -0.08 0.56 -0.36 0.00 -2.02 0.00 0.00 63.50 61.61 2k1s n PRO 140 Cb 0.52 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 2k1s n PRO 140 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2k1s n LEU 141 N 0.64 4.12 0.00 2.45 0.00 -0.52 -4.14 117.00 119.55 2k1s n LEU 141 Ca 0.08 -3.48 0.00 0.00 0.00 0.00 0.00 56.01 52.61 2k1s n LEU 141 Cb 0.37 -1.67 0.00 0.00 0.00 0.00 0.00 43.42 42.12 2k1s n LEU 141 CO 0.59 -0.76 0.33 0.00 0.00 0.00 0.00 177.39 177.55 2k1s n LEU 142 N 10.93 0.98 -1.29 -1.96 -0.00 -1.26 -4.82 117.00 119.58 2k1s n LEU 142 Ca 0.47 -0.98 -0.02 0.00 -0.00 0.00 0.00 56.01 55.48 2k1s n LEU 142 Cb 0.45 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 44.02 2k1s n LEU 142 CO 0.77 0.25 0.65 -0.62 -0.00 0.00 0.00 177.39 178.43 2k1s n GLU 143 N -0.22 2.35 0.02 1.47 -0.58 -1.26 -4.24 120.64 118.19 2k1s n GLU 143 Ca 0.00 -1.42 -0.13 0.00 -0.42 0.00 0.00 57.16 55.20 2k1s n GLU 143 Cb 0.31 -1.74 -0.09 0.00 -0.57 0.00 0.00 31.44 29.35 2k1s n GLU 143 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2k1s h HIS 144 N 1.34 -0.08 -3.81 -0.32 2.76 -1.95 -3.42 115.15 109.67 2k1s h HIS 144 Ca 0.10 -0.00 -0.63 0.00 -2.20 0.00 0.00 60.37 57.64 2k1s h HIS 144 Cb 1.42 0.03 -0.16 0.00 1.55 0.00 0.00 27.41 30.25 2k1s h HIS 144 CO 0.58 0.36 -0.48 -3.38 -1.30 0.00 0.00 177.93 173.72 2k1s s HIS 145 N -4.28 3.24 -0.57 5.26 0.00 -1.26 -5.03 115.29 112.67 2k1s s HIS 145 Ca -0.15 0.18 0.04 0.00 -3.00 0.00 0.00 55.06 52.13 2k1s s HIS 145 Cb 0.02 -2.38 0.15 0.00 -4.00 0.00 0.00 32.58 26.36 2k1s s HIS 145 CO 0.63 -0.12 0.34 -1.01 -1.00 0.00 0.00 174.74 173.58 2k1s s HIS 146 N 1.64 3.04 -0.33 0.38 0.09 -1.26 -5.03 115.29 113.83 2k1s s HIS 146 Ca 0.08 -3.08 0.04 0.00 -0.00 0.00 0.00 55.06 52.10 2k1s s HIS 146 Cb -0.15 -2.56 0.09 0.00 -0.00 0.00 0.00 32.58 29.96 2k1s s HIS 146 CO 0.10 -0.68 0.02 -1.58 -0.00 0.00 0.00 174.74 172.59 2k1s s HIS 147 N -0.58 3.68 -0.34 1.40 5.65 -1.26 -5.04 115.29 118.81 2k1s s HIS 147 Ca 0.20 -2.89 0.03 0.00 0.25 0.00 0.00 55.06 52.65 2k1s s HIS 147 Cb -0.17 -2.76 0.16 0.00 -1.18 0.00 0.00 32.58 28.63 2k1s s HIS 147 CO -0.06 -0.94 0.41 -1.58 -0.65 0.00 0.00 174.74 171.92 2k1s s HIS 148 N 0.94 -0.73 -1.27 3.88 5.04 -1.26 -5.30 115.29 116.59 2k1s s HIS 148 Ca 0.08 -0.23 0.10 0.00 -1.54 0.00 0.00 55.06 53.47 2k1s s HIS 148 Cb -0.19 -0.24 0.08 0.00 0.04 0.00 0.00 32.58 32.27 2k1s s HIS 148 CO -0.08 -1.00 0.82 1.58 -2.34 0.00 0.00 174.74 173.73