#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkw s ILE 2 N 0.00 2.92 -0.09 0.53 1.01 -1.26 -5.05 121.20 119.27 3gkw s ILE 2 Ca 0.00 0.72 -0.02 0.00 0.00 0.00 0.00 60.65 61.36 3gkw s ILE 2 Cb 0.00 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 3gkw s ILE 2 CO 0.00 0.09 -0.01 -1.58 0.00 0.00 0.00 174.94 173.44 3gkw s GLN 3 N 0.28 3.00 -0.32 2.79 0.74 -1.26 -4.85 119.66 120.04 3gkw s GLN 3 Ca 0.62 -0.44 -0.00 0.00 0.05 0.00 0.00 55.36 55.59 3gkw s GLN 3 Cb -0.40 -2.77 0.07 0.00 1.10 0.00 0.00 33.01 31.01 3gkw s GLN 3 CO 0.37 0.66 0.02 -1.64 -0.55 0.00 0.00 175.29 174.16 3gkw s MET 4 N -0.77 2.15 -0.37 1.67 -1.94 -1.26 -1.02 119.30 117.76 3gkw s MET 4 Ca 0.12 -1.49 -0.21 0.00 -1.71 0.00 0.00 55.69 52.40 3gkw s MET 4 Cb -0.11 -3.20 0.01 0.00 2.01 0.00 0.00 34.83 33.53 3gkw s MET 4 CO 0.02 -0.75 0.67 0.99 -0.01 0.00 0.00 175.02 175.94 3gkw s THR 5 N 1.14 4.85 -0.10 2.05 2.01 0.87 -4.35 115.64 122.12 3gkw s THR 5 Ca -0.01 0.55 -0.06 0.00 0.31 0.00 0.00 61.69 62.49 3gkw s THR 5 Cb -0.20 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 3gkw s THR 5 CO -0.04 -0.39 0.12 -1.58 -0.69 0.00 0.00 174.62 172.05 3gkw s GLN 6 N 2.81 3.37 -0.17 4.92 0.74 -1.26 -0.40 119.66 129.66 3gkw s GLN 6 Ca 0.25 -0.20 -0.16 0.00 0.05 0.00 0.00 55.36 55.30 3gkw s GLN 6 Cb -0.14 -3.11 0.05 0.00 1.10 0.00 0.00 33.01 30.90 3gkw s GLN 6 CO 0.16 0.75 0.46 0.45 -0.55 0.00 0.00 175.29 176.56 3gkw s SER 7 N -1.15 -0.48 0.68 6.67 0.15 0.16 -4.34 113.70 115.39 3gkw s SER 7 Ca 0.17 0.93 -0.12 0.00 0.70 0.00 0.00 55.95 57.63 3gkw s SER 7 Cb -0.12 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 3gkw s SER 7 CO 0.06 -0.16 1.06 -2.16 1.20 0.00 0.00 173.24 173.24 3gkw s PRO 8 N 0.27 2.95 0.40 5.44 0.04 -1.26 -0.56 135.00 142.29 3gkw s PRO 8 Ca -0.00 1.03 0.26 0.00 0.04 0.00 0.00 61.00 62.33 3gkw s PRO 8 Cb -0.03 -1.99 0.67 0.00 0.04 0.00 0.00 34.50 33.19 3gkw s PRO 8 CO 0.00 -1.09 1.72 0.66 0.04 0.00 0.00 177.00 178.33 3gkw h SER 9 N -0.50 0.00 -4.75 6.66 4.64 -1.76 -3.38 113.55 114.46 3gkw h SER 9 Ca -0.44 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3gkw h SER 9 Cb 1.21 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.12 3gkw h SER 9 CO 0.56 0.00 0.31 -0.94 -0.87 0.00 0.00 176.83 175.89 3gkw s SER 10 N -5.64 -0.55 0.16 4.97 1.04 -1.26 -1.08 113.70 111.34 3gkw s SER 10 Ca 0.06 0.47 -0.21 0.00 0.48 0.00 0.00 55.95 56.75 3gkw s SER 10 Cb 0.08 0.48 0.06 0.00 0.10 0.00 0.00 66.02 66.73 3gkw s SER 10 CO 0.61 -0.60 0.55 -1.48 0.98 0.00 0.00 173.24 173.30 3gkw s LEU 11 N -1.52 -0.30 -0.13 2.42 -0.00 -0.81 -4.91 118.68 113.43 3gkw s LEU 11 Ca -0.06 -0.11 0.02 0.00 -0.00 0.00 0.00 54.13 53.98 3gkw s LEU 11 Cb -0.00 2.40 0.00 0.00 -0.00 0.00 0.00 46.19 48.59 3gkw s LEU 11 CO 0.03 -0.96 -0.20 -0.44 -0.00 0.00 0.00 176.35 174.78 3gkw s SER 12 N -2.77 3.34 0.14 1.48 0.01 -1.26 -0.79 113.70 113.86 3gkw s SER 12 Ca 0.02 -0.53 -0.10 0.00 1.31 0.00 0.00 55.95 56.66 3gkw s SER 12 Cb -0.00 -1.48 -0.00 0.00 0.21 0.00 0.00 66.02 64.74 3gkw s SER 12 CO -0.12 0.12 0.28 0.00 0.41 0.00 0.00 173.24 173.93 3gkw s ALA 13 N 0.60 -0.19 0.20 1.44 0.00 -0.55 -4.95 121.76 118.32 3gkw s ALA 13 Ca -0.11 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.18 3gkw s ALA 13 Cb -0.16 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 3gkw s ALA 13 CO 0.03 -0.62 0.27 -1.12 0.00 0.00 0.00 175.76 174.32 3gkw s SER 14 N -2.92 6.07 0.08 0.00 0.01 -1.26 -1.07 113.70 114.60 3gkw s SER 14 Ca 0.12 0.02 -0.37 0.00 1.31 0.00 0.00 55.95 57.04 3gkw s SER 14 Cb 0.03 -1.73 -0.17 0.00 0.21 0.00 0.00 66.02 64.35 3gkw s SER 14 CO -0.04 0.00 1.22 0.52 0.41 0.00 0.00 173.24 175.35 3gkw n VAL 15 N -0.90 0.19 0.00 3.43 0.31 -1.26 -1.49 118.33 118.62 3gkw n VAL 15 Ca -0.08 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3gkw n VAL 15 Cb 0.56 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 3gkw n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gkw n GLY 16 N 2.15 3.04 3.78 2.92 0.00 0.05 -4.90 105.19 112.23 3gkw n GLY 16 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3gkw n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gkw s ASP 17 N 0.65 5.57 0.23 1.61 -0.00 -0.55 -4.26 116.67 119.91 3gkw s ASP 17 Ca 0.00 2.03 -0.30 0.00 -0.00 0.00 0.00 52.55 54.28 3gkw s ASP 17 Cb 0.00 -2.56 -0.09 0.00 -0.00 0.00 0.00 42.92 40.27 3gkw s ASP 17 CO 0.00 -1.32 1.09 -0.60 -0.00 0.00 0.00 175.17 174.35 3gkw s ARG 18 N -3.71 4.63 -0.07 8.23 3.52 -1.24 -1.18 118.95 129.13 3gkw s ARG 18 Ca 0.69 1.75 0.05 0.00 -0.13 0.00 0.00 55.73 58.08 3gkw s ARG 18 Cb -0.21 -3.24 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 3gkw s ARG 18 CO 0.33 0.16 -0.21 0.08 -0.81 0.00 0.00 175.30 174.84 3gkw s VAL 19 N -0.68 2.37 -0.16 7.11 1.01 -0.56 -4.98 120.40 124.51 3gkw s VAL 19 Ca 0.47 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 3gkw s VAL 19 Cb -0.30 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.23 3gkw s VAL 19 CO 0.37 0.57 -0.01 -0.89 0.00 0.00 0.00 175.10 175.14 3gkw s THR 20 N -0.19 0.77 -0.05 3.92 2.01 -1.26 -1.71 115.64 119.14 3gkw s THR 20 Ca -0.02 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.56 3gkw s THR 20 Cb -0.14 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 3gkw s THR 20 CO 0.03 0.03 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.17 3gkw s ILE 21 N 1.77 2.60 0.07 1.82 1.01 0.07 -4.68 121.20 123.86 3gkw s ILE 21 Ca 0.01 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 59.86 3gkw s ILE 21 Cb -0.15 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 3gkw s ILE 21 CO -0.07 0.58 -0.26 0.42 0.00 0.00 0.00 174.94 175.60 3gkw s THR 22 N -0.53 2.16 -0.16 2.92 -4.23 0.28 0.12 115.64 116.19 3gkw s THR 22 Ca 0.07 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 3gkw s THR 22 Cb -0.11 -1.87 0.02 0.00 1.34 0.00 0.00 72.50 71.88 3gkw s THR 22 CO 0.01 0.26 -0.18 0.00 -0.54 0.00 0.00 174.62 174.17 3gkw s ARG 24 N 1.25 3.92 0.14 0.00 1.81 0.47 -1.85 118.95 124.68 3gkw s ARG 24 Ca 0.02 -0.35 -0.17 0.00 -1.72 0.00 0.00 55.73 53.50 3gkw s ARG 24 Cb -0.14 -3.41 -0.07 0.00 -0.45 0.00 0.00 34.95 30.88 3gkw s ARG 24 CO -0.09 0.02 0.60 -1.54 -0.68 0.00 0.00 175.30 173.60 3gkw s SER 25 N 1.12 6.97 0.53 0.23 1.04 -0.60 -0.09 113.70 122.91 3gkw s SER 25 Ca 0.06 1.23 0.32 0.00 0.48 0.00 0.00 55.95 58.04 3gkw s SER 25 Cb -0.14 -2.35 1.34 0.00 0.10 0.00 0.00 66.02 64.98 3gkw s SER 25 CO 0.04 0.14 1.98 0.77 0.98 0.00 0.00 173.24 177.16 3gkw h SER 26 N 3.86 0.00 -5.50 7.02 4.64 -1.41 -3.44 113.55 118.71 3gkw h SER 26 Ca -0.49 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.63 3gkw h SER 26 Cb 1.20 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.14 3gkw h SER 26 CO 0.65 0.06 -0.60 0.00 -0.87 0.00 0.00 176.83 176.07 3gkw s GLN 27 N -3.73 1.11 -0.07 4.77 -2.07 -1.26 -4.99 119.66 113.42 3gkw s GLN 27 Ca 0.00 -1.53 -0.37 0.00 -1.82 0.00 0.00 55.36 51.64 3gkw s GLN 27 Cb 0.10 0.27 -0.15 0.00 -1.09 0.00 0.00 33.01 32.14 3gkw s GLN 27 CO 0.56 -0.35 1.61 0.09 -1.32 0.00 0.00 175.29 175.87 3gkw n ASN 27 N -0.21 2.41 -1.21 12.60 3.02 -1.26 -4.71 115.26 125.90 3gkw n ASN 27 Ca -0.01 1.07 0.10 0.00 -0.03 0.00 0.00 54.58 55.71 3gkw n ASN 27 Cb 0.65 -1.23 0.29 0.00 -0.61 0.00 0.00 39.78 38.87 3gkw n ASN 27 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3gkw n ILE 27 N 3.83 1.26 -2.10 2.41 -5.35 -1.17 -4.94 119.36 113.29 3gkw n ILE 27 Ca 0.22 -1.09 -0.42 0.00 -0.27 0.00 0.00 62.75 61.19 3gkw n ILE 27 Cb 0.20 0.38 -0.03 0.00 -1.74 0.00 0.00 39.64 38.45 3gkw n ILE 27 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3gkw s VAL 27 N -1.28 3.50 0.56 7.28 0.11 -1.26 -4.34 120.40 124.97 3gkw s VAL 27 Ca 0.43 0.85 -0.15 0.00 -2.93 0.00 0.00 61.98 60.18 3gkw s VAL 27 Cb 0.24 -3.55 -0.06 0.00 -1.53 0.00 0.00 36.38 31.49 3gkw s VAL 27 CO 0.26 -0.02 1.01 -2.28 -3.33 0.00 0.00 175.10 170.74 3gkw s HIS 27 N 2.84 3.37 0.47 1.54 2.46 0.80 -4.93 115.29 121.85 3gkw s HIS 27 Ca 0.68 1.44 0.39 0.00 0.47 0.00 0.00 55.06 58.04 3gkw s HIS 27 Cb -0.34 -2.83 1.98 0.00 -0.13 0.00 0.00 32.58 31.26 3gkw s HIS 27 CO 0.28 -0.62 2.22 0.66 -2.47 0.00 0.00 174.74 174.81 3gkw h SER 27 N 0.51 0.00 -0.01 9.88 4.64 -1.94 0.89 113.55 127.51 3gkw h SER 27 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3gkw h SER 27 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3gkw h SER 27 CO 0.60 0.02 0.00 -0.46 -0.87 0.00 0.00 176.83 176.12 3gkw n ASN 28 N -3.20 0.06 0.00 4.97 0.23 -1.26 -4.89 115.26 111.16 3gkw n ASN 28 Ca -0.02 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 3gkw n ASN 28 Cb 0.16 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 3gkw n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gkw n GLY 29 N 0.53 1.36 3.95 4.83 0.00 0.31 -5.03 105.19 111.14 3gkw n GLY 29 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 3gkw n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gkw s ASN 30 N -3.18 6.23 -0.23 1.61 0.01 -1.25 -4.82 114.94 113.31 3gkw s ASN 30 Ca 0.00 0.04 0.01 0.00 -0.71 0.00 0.00 52.86 52.20 3gkw s ASN 30 Cb 0.00 -1.81 0.06 0.00 0.41 0.00 0.00 41.25 39.90 3gkw s ASN 30 CO 0.00 -0.06 -0.08 -0.89 -1.51 0.00 0.00 177.10 174.56 3gkw s THR 31 N -1.99 1.72 -1.30 1.60 2.01 -1.26 -0.14 115.64 116.28 3gkw s THR 31 Ca 0.34 -1.27 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 3gkw s THR 31 Cb -0.09 -1.90 0.13 0.00 0.01 0.00 0.00 72.50 70.65 3gkw s THR 31 CO 0.29 -0.02 1.82 -1.22 -0.69 0.00 0.00 174.62 174.80 3gkw n TYR 32 N 4.61 3.74 -3.97 4.92 4.02 -1.26 -4.22 117.16 125.00 3gkw n TYR 32 Ca -0.13 -2.97 -0.29 0.00 -0.01 0.00 0.00 57.90 54.50 3gkw n TYR 32 Cb 0.44 -2.20 -0.16 0.00 -0.02 0.00 0.00 39.34 37.40 3gkw n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3gkw s LEU 33 N 1.21 1.65 0.34 7.72 2.96 -1.26 -1.67 118.68 129.62 3gkw s LEU 33 Ca 0.43 -0.54 0.08 0.00 -0.22 0.00 0.00 54.13 53.89 3gkw s LEU 33 Cb 0.07 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.66 3gkw s LEU 33 CO -0.01 -0.11 0.20 -1.81 -1.32 0.00 0.00 176.35 173.31 3gkw s ASP 34 N 1.55 4.94 -0.09 3.68 1.11 0.08 -0.15 116.67 127.78 3gkw s ASP 34 Ca 0.03 -0.65 0.01 0.00 0.18 0.00 0.00 52.55 52.12 3gkw s ASP 34 Cb -0.14 -0.84 0.02 0.00 1.07 0.00 0.00 42.92 43.03 3gkw s ASP 34 CO -0.09 -0.31 -0.11 0.26 1.18 0.00 0.00 175.17 176.09 3gkw s TRP 35 N -2.37 1.57 0.12 4.23 0.52 0.13 -0.66 118.94 122.48 3gkw s TRP 35 Ca 0.39 -0.69 0.10 0.00 0.02 0.00 0.00 56.10 55.92 3gkw s TRP 35 Cb -0.04 -1.20 -0.04 0.00 -1.15 0.00 0.00 33.47 31.05 3gkw s TRP 35 CO 0.24 -0.40 -0.22 0.71 0.02 0.00 0.00 176.95 177.31 3gkw s TYR 36 N 1.06 2.45 -0.15 -1.98 1.51 0.11 -1.02 117.35 119.33 3gkw s TYR 36 Ca -0.07 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 3gkw s TYR 36 Cb -0.15 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.41 3gkw s TYR 36 CO -0.01 0.36 -0.17 -1.14 -1.11 0.00 0.00 175.55 173.48 3gkw s GLN 37 N -2.09 2.61 -0.49 -0.62 0.74 0.10 -1.33 119.66 118.58 3gkw s GLN 37 Ca 0.16 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.89 3gkw s GLN 37 Cb -0.10 -2.26 0.13 0.00 1.10 0.00 0.00 33.01 31.87 3gkw s GLN 37 CO 0.08 -0.16 0.26 -1.14 -0.55 0.00 0.00 175.29 173.78 3gkw s GLN 38 N 1.24 2.07 0.88 1.67 0.74 0.93 -1.13 119.66 126.06 3gkw s GLN 38 Ca 0.01 -2.24 -0.11 0.00 0.05 0.00 0.00 55.36 53.07 3gkw s GLN 38 Cb -0.14 -3.49 0.12 0.00 1.10 0.00 0.00 33.01 30.60 3gkw s GLN 38 CO -0.08 -1.09 1.10 0.99 -0.55 0.00 0.00 175.29 175.65 3gkw s THR 39 N 0.39 2.70 0.15 -0.34 2.01 -1.26 -2.16 115.64 117.13 3gkw s THR 39 Ca 0.13 0.23 -0.18 0.00 0.31 0.00 0.00 61.69 62.18 3gkw s THR 39 Cb -0.22 -2.59 -0.07 0.00 0.01 0.00 0.00 72.50 69.63 3gkw s THR 39 CO -0.04 -0.30 0.63 -2.16 -0.69 0.00 0.00 174.62 172.06 3gkw s PRO 40 N -4.83 4.18 -0.51 4.92 0.04 -1.26 -1.97 135.00 135.57 3gkw s PRO 40 Ca 0.64 0.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.34 3gkw s PRO 40 Cb -0.19 -3.04 0.13 0.00 0.04 0.00 0.00 34.50 31.44 3gkw s PRO 40 CO 0.57 0.51 0.37 0.20 0.04 0.00 0.00 177.00 178.70 3gkw s GLY 41 N -1.45 2.14 0.18 0.56 0.00 -1.26 -5.09 107.32 102.40 3gkw s GLY 41 Ca 0.36 -2.68 0.02 0.00 0.00 0.00 0.00 44.72 42.42 3gkw s GLY 41 CO 0.20 1.11 0.07 0.28 0.00 0.00 0.00 173.10 174.76 3gkw n LYS 42 N 4.63 0.76 -2.49 2.90 5.02 -0.83 -5.15 118.16 123.00 3gkw n LYS 42 Ca -0.04 -1.57 -0.38 0.00 -2.02 0.00 0.00 58.31 54.31 3gkw n LYS 42 Cb 0.41 0.86 -0.04 0.00 -0.02 0.00 0.00 35.03 36.24 3gkw n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gkw s ALA 43 N -2.51 3.19 0.41 7.82 0.00 -1.26 -4.72 121.76 124.69 3gkw s ALA 43 Ca 0.10 0.79 -0.26 0.00 0.00 0.00 0.00 51.96 52.58 3gkw s ALA 43 Cb 0.00 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 3gkw s ALA 43 CO 0.07 -0.23 1.41 -2.30 0.00 0.00 0.00 175.76 174.70 3gkw n PRO 44 N 0.34 2.32 -4.53 0.00 -0.02 -1.26 -4.67 135.00 127.17 3gkw n PRO 44 Ca 0.03 0.82 -0.30 0.00 -2.02 0.00 0.00 63.50 62.03 3gkw n PRO 44 Cb 0.48 -2.57 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 3gkw n PRO 44 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3gkw s LYS 45 N -2.25 1.72 0.20 -0.52 -2.85 -0.28 -4.91 119.74 110.85 3gkw s LYS 45 Ca 0.58 -1.18 -0.30 0.00 -1.00 0.00 0.00 55.97 54.07 3gkw s LYS 45 Cb -0.48 -2.03 -0.08 0.00 -2.06 0.00 0.00 37.83 33.18 3gkw s LYS 45 CO 0.60 0.49 1.13 -1.17 0.10 0.00 0.00 175.35 176.50 3gkw s LEU 46 N -1.78 4.49 -0.06 2.77 2.96 -1.26 -0.72 118.68 125.08 3gkw s LEU 46 Ca 0.15 2.17 -0.02 0.00 -0.22 0.00 0.00 54.13 56.21 3gkw s LEU 46 Cb -0.10 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 3gkw s LEU 46 CO 0.06 -0.25 -0.07 0.18 -1.32 0.00 0.00 176.35 174.96 3gkw n LEU 47 N 2.14 1.25 -3.98 -0.68 4.77 -0.19 -4.86 117.00 115.45 3gkw n LEU 47 Ca 0.02 0.04 -0.16 0.00 -0.03 0.00 0.00 56.01 55.88 3gkw n LEU 47 Cb 0.45 -0.18 -0.14 0.00 -2.33 0.00 0.00 43.42 41.22 3gkw n LEU 47 CO 0.54 0.27 -0.41 -0.63 -1.33 0.00 0.00 177.39 175.84 3gkw s ILE 48 N -2.11 0.49 0.06 -0.08 1.09 -1.06 -1.11 121.20 118.48 3gkw s ILE 48 Ca -0.08 -0.29 0.03 0.00 -1.10 0.00 0.00 60.65 59.22 3gkw s ILE 48 Cb 0.03 -0.42 -0.03 0.00 -1.06 0.00 0.00 42.46 40.98 3gkw s ILE 48 CO 0.11 0.12 -0.10 -0.72 -0.10 0.00 0.00 174.94 174.25 3gkw s TYR 49 N -0.18 0.89 -1.40 3.97 -0.85 -0.51 0.18 117.35 119.45 3gkw s TYR 49 Ca 0.02 -0.54 -0.01 0.00 -0.52 0.00 0.00 57.07 56.02 3gkw s TYR 49 Cb -0.03 -0.51 0.00 0.00 0.38 0.00 0.00 41.96 41.81 3gkw s TYR 49 CO -0.00 -0.04 0.46 1.63 -1.52 0.00 0.00 175.55 176.08 3gkw n LYS 50 N 1.16 -3.49 0.00 -3.49 5.02 -0.37 -1.29 118.16 115.69 3gkw n LYS 50 Ca -0.21 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 3gkw n LYS 50 Cb 0.55 -4.62 0.00 0.00 -0.02 0.00 0.00 35.03 30.94 3gkw n LYS 50 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3gkw n VAL 51 N -4.39 0.00 -0.33 -0.18 0.31 0.79 -4.23 118.33 110.31 3gkw n VAL 51 Ca -0.30 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3gkw n VAL 51 Cb 0.68 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.61 3gkw n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3gkw n SER 52 N 3.77 0.44 -4.69 4.52 3.41 -1.19 -3.68 113.62 116.19 3gkw n SER 52 Ca 0.00 -0.83 -0.42 0.00 -0.26 0.00 0.00 58.87 57.36 3gkw n SER 52 Cb 0.00 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 3gkw n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3gkw s ASN 53 N -0.13 7.13 -0.26 4.04 0.01 -0.41 -4.72 114.94 120.59 3gkw s ASN 53 Ca 0.00 1.38 -0.24 0.00 -0.71 0.00 0.00 52.86 53.28 3gkw s ASN 53 Cb 0.00 -2.51 -0.00 0.00 0.41 0.00 0.00 41.25 39.15 3gkw s ASN 53 CO 0.00 -0.39 0.83 -0.60 -1.51 0.00 0.00 177.10 175.43 3gkw s ARG 54 N 1.89 4.14 0.46 -0.60 3.52 -1.26 -1.42 118.95 125.68 3gkw s ARG 54 Ca 0.44 0.88 -0.24 0.00 -0.13 0.00 0.00 55.73 56.67 3gkw s ARG 54 Cb -0.18 -3.66 -0.08 0.00 -1.56 0.00 0.00 34.95 29.47 3gkw s ARG 54 CO 0.16 -0.56 1.37 0.12 -0.81 0.00 0.00 175.30 175.58 3gkw s PHE 55 N 2.90 2.53 0.15 5.12 5.36 -0.27 -4.89 117.98 128.89 3gkw s PHE 55 Ca 0.35 1.34 -0.33 0.00 -0.96 0.00 0.00 56.93 57.32 3gkw s PHE 55 Cb -0.15 -3.80 -0.16 0.00 -0.34 0.00 0.00 43.02 38.57 3gkw s PHE 55 CO 0.09 -2.64 1.08 0.45 -1.46 0.00 0.00 175.22 172.74 3gkw n SER 56 N -0.32 0.88 0.00 6.13 2.88 -1.26 -1.61 113.62 120.31 3gkw n SER 56 Ca 0.06 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 3gkw n SER 56 Cb 0.43 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 3gkw n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gkw n GLY 57 N 1.94 2.77 3.74 0.46 0.00 -1.26 -5.01 105.19 107.83 3gkw n GLY 57 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3gkw n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gkw s VAL 58 N -2.19 3.74 0.66 1.61 1.01 -0.63 -5.00 120.40 119.59 3gkw s VAL 58 Ca 0.00 1.45 -0.17 0.00 0.00 0.00 0.00 61.98 63.26 3gkw s VAL 58 Cb 0.00 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 3gkw s VAL 58 CO 0.00 0.23 1.26 -2.84 0.00 0.00 0.00 175.10 173.75 3gkw s PRO 59 N -0.17 2.48 0.14 2.72 0.02 -1.26 -4.91 135.00 134.01 3gkw s PRO 59 Ca 0.52 1.96 0.20 0.00 0.02 0.00 0.00 61.00 63.70 3gkw s PRO 59 Cb -0.31 -1.85 0.82 0.00 0.02 0.00 0.00 34.50 33.18 3gkw s PRO 59 CO 0.35 -1.62 1.61 -1.13 -0.33 0.00 0.00 177.00 175.88 3gkw n SER 60 N -2.08 0.37 0.00 2.53 3.41 -1.26 -2.87 113.62 113.72 3gkw n SER 60 Ca 0.15 0.59 0.09 0.00 -0.26 0.00 0.00 58.87 59.44 3gkw n SER 60 Cb 0.49 -0.67 0.45 0.00 -0.26 0.00 0.00 64.21 64.22 3gkw n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3gkw n ARG 61 N -1.91 0.12 -3.65 4.33 1.85 -1.26 -4.68 116.66 111.46 3gkw n ARG 61 Ca 0.03 0.14 -0.35 0.00 -1.00 0.00 0.00 57.85 56.67 3gkw n ARG 61 Cb 0.21 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.06 3gkw n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3gkw s PHE 62 N -2.82 3.61 0.08 2.89 0.08 -1.14 0.83 117.98 121.51 3gkw s PHE 62 Ca 0.13 0.73 -0.26 0.00 0.12 0.00 0.00 56.93 57.64 3gkw s PHE 62 Cb 0.13 -2.10 0.08 0.00 -0.57 0.00 0.00 43.02 40.56 3gkw s PHE 62 CO 0.33 0.59 0.87 -1.54 -0.10 0.00 0.00 175.22 175.36 3gkw s SER 63 N -1.57 -0.33 0.03 1.36 1.04 -0.39 -4.98 113.70 108.86 3gkw s SER 63 Ca 0.28 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.56 3gkw s SER 63 Cb -0.14 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 3gkw s SER 63 CO 0.16 -0.79 -0.04 -0.83 0.98 0.00 0.00 173.24 172.72 3gkw s GLY 64 N -2.68 0.32 0.02 7.32 0.00 -1.25 -0.44 107.32 110.61 3gkw s GLY 64 Ca 0.07 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 44.04 3gkw s GLY 64 CO -0.05 -0.82 0.04 -1.14 0.00 0.00 0.00 173.10 171.13 3gkw n SER 65 N 1.27 -0.11 0.00 1.64 3.41 -0.75 -4.30 113.62 114.79 3gkw n SER 65 Ca -0.22 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 3gkw n SER 65 Cb 0.56 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 3gkw n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gkw n GLY 66 N -0.03 0.75 3.61 5.00 0.00 -1.26 -0.58 105.19 112.68 3gkw n GLY 66 Ca -0.00 -2.21 0.03 0.00 0.00 0.00 0.00 46.02 43.84 3gkw n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gkw s SER 67 N -1.42 -0.02 1.25 1.61 1.04 -0.60 -4.97 113.70 110.58 3gkw s SER 67 Ca 0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 3gkw s SER 67 Cb 0.00 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.18 3gkw s SER 67 CO 0.00 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.72 3gkw n GLY 68 N -0.54 0.81 0.33 7.32 0.00 -1.26 -1.55 105.19 110.30 3gkw n GLY 68 Ca -0.08 0.57 0.03 0.00 0.00 0.00 0.00 46.02 46.54 3gkw n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gkw n THR 69 N 0.00 0.66 -3.90 2.61 -2.24 -1.26 -3.07 114.28 107.08 3gkw n THR 69 Ca 0.00 -0.83 -0.30 0.00 -2.27 0.00 0.00 64.05 60.65 3gkw n THR 69 Cb 0.00 0.71 -0.16 0.00 -2.10 0.00 0.00 70.33 68.78 3gkw n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gkw s ASP 70 N -0.84 3.63 0.02 3.42 3.68 -0.59 -1.56 116.67 124.43 3gkw s ASP 70 Ca 0.11 -1.09 0.04 0.00 2.13 0.00 0.00 52.55 53.75 3gkw s ASP 70 Cb 0.06 -1.07 -0.02 0.00 -1.45 0.00 0.00 42.92 40.45 3gkw s ASP 70 CO 0.09 -0.24 -0.12 -0.36 0.13 0.00 0.00 175.17 174.66 3gkw s PHE 71 N 1.48 1.07 0.04 -5.34 0.08 -0.77 -1.56 117.98 112.98 3gkw s PHE 71 Ca -0.05 -0.29 0.06 0.00 0.12 0.00 0.00 56.93 56.77 3gkw s PHE 71 Cb -0.18 -0.66 -0.02 0.00 -0.57 0.00 0.00 43.02 41.59 3gkw s PHE 71 CO -0.07 0.00 -0.18 0.99 -0.10 0.00 0.00 175.22 175.87 3gkw s THR 72 N -0.64 1.41 -0.10 0.64 2.01 0.25 -0.84 115.64 118.38 3gkw s THR 72 Ca 0.02 -1.10 0.02 0.00 0.31 0.00 0.00 61.69 60.94 3gkw s THR 72 Cb -0.06 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.21 3gkw s THR 72 CO 0.00 0.12 -0.16 0.12 -0.69 0.00 0.00 174.62 174.01 3gkw s PHE 73 N -0.81 2.03 -0.05 4.92 5.36 0.12 -1.80 117.98 127.74 3gkw s PHE 73 Ca 0.05 -0.93 0.06 0.00 -0.96 0.00 0.00 56.93 55.15 3gkw s PHE 73 Cb -0.08 -1.44 -0.01 0.00 -0.34 0.00 0.00 43.02 41.15 3gkw s PHE 73 CO 0.01 -0.46 -0.23 0.99 -1.46 0.00 0.00 175.22 174.07 3gkw s THR 74 N 0.87 1.92 -0.33 0.12 2.01 0.42 -0.75 115.64 119.89 3gkw s THR 74 Ca -0.09 -0.99 -0.10 0.00 0.31 0.00 0.00 61.69 60.82 3gkw s THR 74 Cb -0.15 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.74 3gkw s THR 74 CO 0.00 0.54 0.16 -0.63 -0.69 0.00 0.00 174.62 173.99 3gkw s ILE 75 N -0.16 4.49 0.18 1.82 1.01 -0.69 -1.26 121.20 126.59 3gkw s ILE 75 Ca -0.03 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 59.93 3gkw s ILE 75 Cb -0.13 -3.36 0.07 0.00 0.01 0.00 0.00 42.46 39.05 3gkw s ILE 75 CO 0.03 -0.02 1.65 0.77 0.00 0.00 0.00 174.94 177.37 3gkw h SER 76 N 8.36 1.03 -2.38 3.58 4.64 0.14 -1.48 113.55 127.44 3gkw h SER 76 Ca -0.30 -0.29 -0.25 0.00 -0.47 0.00 0.00 61.79 60.47 3gkw h SER 76 Cb 1.13 -0.28 -0.34 0.00 -0.31 0.00 0.00 62.40 62.61 3gkw h SER 76 CO 0.63 1.06 -0.57 -0.55 -0.87 0.00 0.00 176.83 176.53 3gkw s SER 77 N -6.51 0.91 0.48 4.97 0.15 -1.26 -3.61 113.70 108.83 3gkw s SER 77 Ca -0.12 0.01 -0.22 0.00 0.70 0.00 0.00 55.95 56.33 3gkw s SER 77 Cb 0.13 0.64 -0.08 0.00 -1.71 0.00 0.00 66.02 65.01 3gkw s SER 77 CO 0.85 -0.31 1.10 -0.22 1.20 0.00 0.00 173.24 175.86 3gkw s LEU 78 N 2.40 3.93 0.29 3.45 2.96 -0.33 -4.72 118.68 126.67 3gkw s LEU 78 Ca 0.08 2.13 0.06 0.00 -0.22 0.00 0.00 54.13 56.18 3gkw s LEU 78 Cb -0.15 -4.40 -0.06 0.00 0.50 0.00 0.00 46.19 42.08 3gkw s LEU 78 CO -0.13 -0.88 -0.03 -1.10 -1.32 0.00 0.00 176.35 172.89 3gkw s GLN 79 N -2.95 1.59 0.35 1.98 -1.52 -1.26 -0.77 119.66 117.08 3gkw s GLN 79 Ca 0.66 -1.83 0.04 0.00 -1.95 0.00 0.00 55.36 52.28 3gkw s GLN 79 Cb -0.23 -1.12 0.67 0.00 -0.22 0.00 0.00 33.01 32.11 3gkw s GLN 79 CO 0.28 -0.01 1.98 -1.35 -0.25 0.00 0.00 175.29 175.94 3gkw h PRO 80 N 2.22 0.81 0.00 2.91 0.11 -1.89 -0.78 132.00 135.37 3gkw h PRO 80 Ca -0.40 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gkw h PRO 80 Cb 1.24 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3gkw h PRO 80 CO 0.68 0.53 0.00 -0.85 -0.21 0.00 0.00 178.00 178.16 3gkw n GLU 81 N -4.46 0.71 -0.12 1.05 0.00 -1.05 -2.86 120.64 113.92 3gkw n GLU 81 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.36 3gkw n GLU 81 Cb 0.13 -1.08 0.17 0.00 0.00 0.00 0.00 31.44 30.66 3gkw n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3gkw n ASP 82 N -0.58 3.29 -4.65 -1.84 8.00 -0.30 -4.90 116.55 115.57 3gkw n ASP 82 Ca 0.03 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.12 3gkw n ASP 82 Cb 0.01 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 3gkw n ASP 82 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3gkw s ILE 83 N -1.65 3.28 0.00 0.53 -1.16 -1.13 -4.88 121.20 116.18 3gkw s ILE 83 Ca 0.34 0.33 0.00 0.00 -0.51 0.00 0.00 60.65 60.81 3gkw s ILE 83 Cb 0.22 -3.24 0.00 0.00 0.61 0.00 0.00 42.46 40.04 3gkw s ILE 83 CO 0.31 -0.06 0.00 0.00 -2.81 0.00 0.00 174.94 172.38 3gkw n ALA 84 N 8.12 0.00 -2.82 1.50 0.00 -1.26 -4.58 120.51 121.47 3gkw n ALA 84 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.29 3gkw n ALA 84 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 3gkw n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3gkw s THR 85 N -2.00 4.82 0.05 0.00 2.01 -0.92 -0.89 115.64 118.71 3gkw s THR 85 Ca 0.00 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.00 3gkw s THR 85 Cb 0.00 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 3gkw s THR 85 CO 0.00 0.43 0.09 -0.31 -0.69 0.00 0.00 174.62 174.14 3gkw s TYR 86 N 0.61 3.25 -0.00 4.92 1.51 -0.29 -0.05 117.35 127.30 3gkw s TYR 86 Ca 0.04 0.14 -0.04 0.00 -1.01 0.00 0.00 57.07 56.20 3gkw s TYR 86 Cb -0.13 -1.67 -0.00 0.00 -0.11 0.00 0.00 41.96 40.05 3gkw s TYR 86 CO 0.01 0.54 0.08 0.71 -1.11 0.00 0.00 175.55 175.78 3gkw s TYR 87 N -1.34 0.06 0.17 2.71 1.51 -0.44 -0.01 117.35 120.02 3gkw s TYR 87 Ca 0.28 -0.14 0.05 0.00 -1.01 0.00 0.00 57.07 56.26 3gkw s TYR 87 Cb -0.12 -0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.62 3gkw s TYR 87 CO 0.20 -0.19 0.13 0.00 -1.11 0.00 0.00 175.55 174.58 3gkw s PHE 89 N -1.78 0.21 -0.12 0.00 5.36 0.17 -1.09 117.98 120.73 3gkw s PHE 89 Ca 0.31 0.14 -0.00 0.00 -0.96 0.00 0.00 56.93 56.42 3gkw s PHE 89 Cb -0.10 -0.56 -0.02 0.00 -0.34 0.00 0.00 43.02 42.00 3gkw s PHE 89 CO 0.23 -0.23 -0.10 1.14 -1.46 0.00 0.00 175.22 174.80 3gkw s GLN 90 N 2.12 3.24 -0.01 10.12 1.03 -0.27 -0.75 119.66 135.14 3gkw s GLN 90 Ca 0.05 -0.63 0.23 0.00 0.04 0.00 0.00 55.36 55.06 3gkw s GLN 90 Cb -0.12 -2.66 0.40 0.00 0.03 0.00 0.00 33.01 30.66 3gkw s GLN 90 CO -0.04 0.35 1.16 2.48 -2.54 0.00 0.00 175.29 176.70 3gkw n TYR 91 N 3.16 0.00 0.31 9.60 0.18 -0.67 -2.06 117.16 127.68 3gkw n TYR 91 Ca -0.18 -0.51 -0.12 0.00 1.88 0.00 0.00 57.90 58.97 3gkw n TYR 91 Cb 0.53 -0.15 -0.06 0.00 -0.38 0.00 0.00 39.34 39.28 3gkw n TYR 91 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 3gkw h SER 92 N 0.92 -0.68 -4.29 9.48 0.02 -1.88 -3.46 113.55 113.65 3gkw h SER 92 Ca -0.20 0.02 -0.60 0.00 -0.84 0.00 0.00 61.79 60.17 3gkw h SER 92 Cb 1.82 0.18 -0.26 0.00 0.14 0.00 0.00 62.40 64.27 3gkw h SER 92 CO 0.09 -0.43 -0.85 -1.00 -1.14 0.00 0.00 176.83 173.50 3gkw s HIS 93 N -4.50 1.91 0.54 3.45 3.76 -1.26 -5.02 115.29 114.16 3gkw s HIS 93 Ca -0.12 -0.38 -0.19 0.00 -0.15 0.00 0.00 55.06 54.22 3gkw s HIS 93 Cb 0.01 -1.14 -0.06 0.00 1.11 0.00 0.00 32.58 32.50 3gkw s HIS 93 CO 0.35 0.09 1.10 0.14 -0.85 0.00 0.00 174.74 175.57 3gkw s VAL 94 N -0.78 3.39 0.30 -0.90 -7.23 -1.26 -4.10 120.40 109.81 3gkw s VAL 94 Ca 0.08 0.84 -0.29 0.00 -1.81 0.00 0.00 61.98 60.80 3gkw s VAL 94 Cb -0.09 -3.33 -0.10 0.00 0.56 0.00 0.00 36.38 33.42 3gkw s VAL 94 CO 0.02 -0.21 1.12 -2.84 -0.31 0.00 0.00 175.10 172.87 3gkw s PRO 95 N -3.37 4.56 0.76 4.82 0.02 -1.26 -4.93 135.00 135.60 3gkw s PRO 95 Ca 0.70 1.84 -0.11 0.00 0.02 0.00 0.00 61.00 63.44 3gkw s PRO 95 Cb -0.21 -3.12 0.05 0.00 0.02 0.00 0.00 34.50 31.24 3gkw s PRO 95 CO 0.26 0.13 1.09 -1.58 -0.33 0.00 0.00 177.00 176.57 3gkw s TRP 96 N -1.20 3.00 -0.08 6.54 0.51 -1.26 -4.73 118.94 121.73 3gkw s TRP 96 Ca 0.46 1.15 -0.19 0.00 -2.12 0.00 0.00 56.10 55.40 3gkw s TRP 96 Cb -0.32 -3.08 0.04 0.00 -0.81 0.00 0.00 33.47 29.30 3gkw s TRP 96 CO 0.42 -1.54 0.45 0.95 -0.51 0.00 0.00 176.95 176.72 3gkw s THR 97 N -3.20 0.02 0.08 2.01 -4.23 -0.87 -5.01 115.64 104.44 3gkw s THR 97 Ca 0.60 -0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.91 3gkw s THR 97 Cb -0.13 -0.73 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 3gkw s THR 97 CO 0.54 -0.11 0.20 -0.36 -0.54 0.00 0.00 174.62 174.34 3gkw s PHE 98 N -0.79 3.45 1.00 3.99 0.08 -1.26 -1.11 117.98 123.34 3gkw s PHE 98 Ca -0.09 0.19 -0.11 0.00 0.12 0.00 0.00 56.93 57.04 3gkw s PHE 98 Cb -0.03 -1.72 0.19 0.00 -0.57 0.00 0.00 43.02 40.89 3gkw s PHE 98 CO 0.05 0.57 1.09 0.20 -0.10 0.00 0.00 175.22 177.02 3gkw s GLY 99 N -2.62 1.62 0.00 4.36 0.00 -0.25 -4.73 107.32 105.71 3gkw s GLY 99 Ca 0.34 0.23 0.29 0.00 0.00 0.00 0.00 44.72 45.58 3gkw s GLY 99 CO 0.27 0.77 2.05 0.61 0.00 0.00 0.00 173.10 176.80 3gkw n GLN 100 N -4.43 0.72 0.00 2.90 0.00 -1.26 -4.69 117.38 110.61 3gkw n GLN 100 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 57.00 57.09 3gkw n GLN 100 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.27 3gkw n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3gkw n GLY 101 N 0.96 2.04 3.01 2.61 0.00 -1.26 -4.99 105.19 107.57 3gkw n GLY 101 Ca 0.19 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 3gkw n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gkw s THR 102 N -1.96 1.87 -0.24 2.61 2.01 0.99 -4.31 115.64 116.61 3gkw s THR 102 Ca 0.00 -1.46 -0.26 0.00 0.31 0.00 0.00 61.69 60.28 3gkw s THR 102 Cb 0.00 -2.07 -0.00 0.00 0.01 0.00 0.00 72.50 70.44 3gkw s THR 102 CO 0.00 -0.08 0.89 -0.75 -0.69 0.00 0.00 174.62 173.99 3gkw s LYS 103 N 1.23 4.19 -0.13 4.92 2.20 -0.24 -1.14 119.74 130.78 3gkw s LYS 103 Ca -0.07 1.04 -0.14 0.00 -0.36 0.00 0.00 55.97 56.44 3gkw s LYS 103 Cb -0.19 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.43 3gkw s LYS 103 CO -0.06 -0.56 0.32 -1.17 -0.36 0.00 0.00 175.35 173.52 3gkw s LEU 104 N 2.96 4.30 -0.02 5.43 2.96 -0.07 -1.93 118.68 132.30 3gkw s LEU 104 Ca 0.37 0.61 0.05 0.00 -0.22 0.00 0.00 54.13 54.94 3gkw s LEU 104 Cb -0.15 -2.41 -0.01 0.00 0.50 0.00 0.00 46.19 44.12 3gkw s LEU 104 CO 0.07 0.15 -0.17 -1.58 -1.32 0.00 0.00 176.35 173.51 3gkw s GLN 105 N 0.10 1.50 -0.17 1.98 -0.44 0.03 -3.99 119.66 118.67 3gkw s GLN 105 Ca 0.18 -0.61 -0.03 0.00 -2.50 0.00 0.00 55.36 52.41 3gkw s GLN 105 Cb -0.14 -1.40 -0.02 0.00 -1.64 0.00 0.00 33.01 29.81 3gkw s GLN 105 CO 0.06 0.33 -0.06 0.42 0.50 0.00 0.00 175.29 176.54 3gkw s ILE 106 N -0.26 3.50 0.26 -2.34 1.01 -1.25 -1.49 121.20 120.63 3gkw s ILE 106 Ca 0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 3gkw s ILE 106 Cb -0.08 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 3gkw s ILE 106 CO 0.00 0.47 0.47 0.42 0.00 0.00 0.00 174.94 176.30 3gkw s THR 107 N 0.77 5.14 0.08 2.92 -4.23 -0.23 -4.92 115.64 115.17 3gkw s THR 107 Ca -0.02 -0.32 -0.05 0.00 -1.18 0.00 0.00 61.69 60.11 3gkw s THR 107 Cb -0.15 -3.77 0.02 0.00 1.34 0.00 0.00 72.50 69.94 3gkw s THR 107 CO 0.02 -0.31 0.24 -2.11 -0.54 0.00 0.00 174.62 171.91 3gkw n ARG 108 N -1.05 0.25 -1.99 3.99 1.85 -1.26 -4.27 116.66 114.18 3gkw n ARG 108 Ca -0.04 -0.52 -0.35 0.00 -1.00 0.00 0.00 57.85 55.94 3gkw n ARG 108 Cb 0.55 0.66 0.03 0.00 -1.05 0.00 0.00 32.46 32.65 3gkw n ARG 108 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3gkw s GLU 109 N -2.02 2.96 0.16 2.89 0.41 -1.26 -4.95 118.70 116.89 3gkw s GLU 109 Ca 0.05 1.73 -0.32 0.00 -0.41 0.00 0.00 54.97 56.03 3gkw s GLU 109 Cb -0.01 -1.94 -0.11 0.00 -1.78 0.00 0.00 34.13 30.29 3gkw s GLU 109 CO 0.02 -1.19 1.79 0.28 -0.49 0.00 0.00 175.26 175.67 3gkw n VAL 110 N -1.72 0.19 -4.71 2.63 0.31 -1.26 -4.73 118.33 109.05 3gkw n VAL 110 Ca 0.13 -0.03 -0.27 0.00 -0.01 0.00 0.00 64.34 64.15 3gkw n VAL 110 Cb 0.50 -2.06 -0.17 0.00 -0.91 0.00 0.00 33.84 31.21 3gkw n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gkw s ALA 111 N 2.00 1.58 0.21 3.52 0.00 -0.86 -4.93 121.76 123.29 3gkw s ALA 111 Ca 0.79 -0.63 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 3gkw s ALA 111 Cb -0.49 -0.69 -0.08 0.00 0.00 0.00 0.00 23.12 21.85 3gkw s ALA 111 CO 0.35 0.11 1.10 0.00 0.00 0.00 0.00 175.76 177.32 3gkw s ALA 112 N 0.67 3.39 0.05 0.00 0.00 -1.26 -1.84 121.76 122.76 3gkw s ALA 112 Ca -0.14 0.84 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 3gkw s ALA 112 Cb -0.16 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 3gkw s ALA 112 CO 0.04 -0.19 1.36 -1.25 0.00 0.00 0.00 175.76 175.72 3gkw s PRO 113 N -0.72 4.32 -0.15 0.00 0.04 -1.26 -4.70 135.00 132.54 3gkw s PRO 113 Ca 0.48 1.96 -0.26 0.00 0.04 0.00 0.00 61.00 63.23 3gkw s PRO 113 Cb -0.30 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 30.79 3gkw s PRO 113 CO 0.37 -0.47 0.83 -1.54 0.04 0.00 0.00 177.00 176.23 3gkw s SER 114 N 1.48 7.00 -0.08 6.66 1.04 -0.89 -4.72 113.70 124.17 3gkw s SER 114 Ca 0.63 1.22 0.01 0.00 0.48 0.00 0.00 55.95 58.29 3gkw s SER 114 Cb -0.33 -2.46 -0.03 0.00 0.10 0.00 0.00 66.02 63.31 3gkw s SER 114 CO 0.28 -0.36 -0.10 0.54 0.98 0.00 0.00 173.24 174.58 3gkw s VAL 115 N 1.94 3.44 0.03 5.02 0.11 -1.26 -1.53 120.40 128.15 3gkw s VAL 115 Ca 0.39 -0.56 0.05 0.00 -2.93 0.00 0.00 61.98 58.93 3gkw s VAL 115 Cb -0.17 -2.41 -0.02 0.00 -1.53 0.00 0.00 36.38 32.25 3gkw s VAL 115 CO 0.14 0.57 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.97 3gkw s PHE 116 N -0.47 1.36 0.10 1.54 0.08 -0.55 -4.97 117.98 115.06 3gkw s PHE 116 Ca 0.06 -0.34 0.09 0.00 0.12 0.00 0.00 56.93 56.87 3gkw s PHE 116 Cb -0.12 -0.82 -0.04 0.00 -0.57 0.00 0.00 43.02 41.48 3gkw s PHE 116 CO 0.02 0.04 -0.23 -1.50 -0.10 0.00 0.00 175.22 173.45 3gkw s ILE 117 N -0.76 2.48 -0.09 0.64 2.07 -1.26 -0.45 121.20 123.82 3gkw s ILE 117 Ca 0.03 -1.53 -0.01 0.00 -1.41 0.00 0.00 60.65 57.73 3gkw s ILE 117 Cb -0.08 -2.08 0.03 0.00 0.13 0.00 0.00 42.46 40.47 3gkw s ILE 117 CO 0.01 0.19 -0.00 -0.36 -1.91 0.00 0.00 174.94 172.86 3gkw s PHE 118 N -1.01 0.82 1.02 3.50 0.08 -0.11 -5.01 117.98 117.27 3gkw s PHE 118 Ca 0.15 -0.33 -0.12 0.00 0.12 0.00 0.00 56.93 56.75 3gkw s PHE 118 Cb -0.10 -0.89 0.20 0.00 -0.57 0.00 0.00 43.02 41.67 3gkw s PHE 118 CO 0.06 -0.39 1.08 -1.25 -0.10 0.00 0.00 175.22 174.62 3gkw s PRO 119 N 1.92 0.19 0.59 0.24 0.04 -1.26 -1.68 135.00 135.04 3gkw s PRO 119 Ca 0.04 0.99 -0.20 0.00 0.04 0.00 0.00 61.00 61.88 3gkw s PRO 119 Cb -0.13 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 3gkw s PRO 119 CO -0.06 -3.02 1.33 -2.14 0.04 0.00 0.00 177.00 173.15 3gkw s PRO 120 N -4.66 2.88 0.63 0.56 0.02 -1.21 -4.82 135.00 128.40 3gkw s PRO 120 Ca 0.67 2.16 -0.18 0.00 0.02 0.00 0.00 61.00 63.67 3gkw s PRO 120 Cb -0.22 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.20 3gkw s PRO 120 CO 0.61 -1.37 1.13 0.43 -0.33 0.00 0.00 177.00 177.46 3gkw n SER 121 N -1.42 1.42 -0.01 2.53 7.64 -1.26 -4.94 113.62 117.57 3gkw n SER 121 Ca 0.13 0.81 -0.14 0.00 1.01 0.00 0.00 58.87 60.68 3gkw n SER 121 Cb 0.46 -1.47 -0.09 0.00 -1.01 0.00 0.00 64.21 62.10 3gkw n SER 121 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 3gkw h ASP 122 N 0.49 -1.62 0.05 6.43 3.04 -2.02 -2.87 116.42 119.91 3gkw h ASP 122 Ca -0.50 0.19 -0.06 0.00 -3.24 0.00 0.00 57.03 53.43 3gkw h ASP 122 Cb 1.35 0.63 -0.01 0.00 -1.04 0.00 0.00 39.33 40.27 3gkw h ASP 122 CO 0.52 -0.45 -0.17 -0.33 -2.04 0.00 0.00 179.24 176.77 3gkw h GLU 123 N -0.54 0.24 0.00 4.15 5.08 -2.02 -2.91 114.58 118.59 3gkw h GLU 123 Ca 0.03 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 3gkw h GLU 123 Cb 0.63 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3gkw h GLU 123 CO -0.42 0.41 -0.45 0.37 -1.00 0.00 0.00 179.01 177.93 3gkw h GLN 124 N 0.23 0.00 -0.17 2.33 4.15 -1.88 -3.08 115.11 116.68 3gkw h GLN 124 Ca 0.04 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 3gkw h GLN 124 Cb 0.44 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 3gkw h GLN 124 CO 0.03 0.45 -0.21 -0.07 -1.93 0.00 0.00 178.83 177.09 3gkw h LEU 125 N 0.00 0.30 -2.46 -2.39 -0.00 -1.30 -1.99 115.31 107.47 3gkw h LEU 125 Ca -0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 3gkw h LEU 125 Cb 0.91 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 3gkw h LEU 125 CO 0.06 0.53 0.00 0.11 -0.00 0.00 0.00 178.44 179.14 3gkw h LYS 126 N 0.28 0.00 -0.00 1.13 1.57 -1.65 -2.52 116.57 115.37 3gkw h LYS 126 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3gkw h LYS 126 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3gkw h LYS 126 CO 0.04 0.00 -0.25 0.43 -0.57 0.00 0.00 179.45 179.10 3gkw n SER 127 N -2.87 0.28 0.00 0.86 7.64 -0.75 -4.93 113.62 113.85 3gkw n SER 127 Ca -0.02 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3gkw n SER 127 Cb 0.08 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 3gkw n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gkw n GLY 128 N 1.48 0.75 3.19 0.23 0.00 -0.95 -5.04 105.19 104.85 3gkw n GLY 128 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 3gkw n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gkw s THR 129 N -2.79 1.22 -0.14 2.61 2.01 -1.26 -1.86 115.64 115.44 3gkw s THR 129 Ca 0.00 -1.33 0.02 0.00 0.31 0.00 0.00 61.69 60.69 3gkw s THR 129 Cb 0.00 -1.15 0.01 0.00 0.01 0.00 0.00 72.50 71.37 3gkw s THR 129 CO 0.00 -0.18 -0.19 0.00 -0.69 0.00 0.00 174.62 173.56 3gkw s ALA 130 N -1.23 2.08 -0.27 7.40 0.00 0.39 -4.09 121.76 126.05 3gkw s ALA 130 Ca -0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.90 3gkw s ALA 130 Cb -0.10 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 3gkw s ALA 130 CO 0.03 -0.09 0.06 -1.12 0.00 0.00 0.00 175.76 174.63 3gkw s SER 131 N 0.95 5.03 -0.16 0.00 0.01 -1.26 0.18 113.70 118.45 3gkw s SER 131 Ca -0.05 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.74 3gkw s SER 131 Cb -0.15 -1.88 -0.02 0.00 0.21 0.00 0.00 66.02 64.18 3gkw s SER 131 CO -0.03 -0.10 -0.08 0.54 0.41 0.00 0.00 173.24 173.98 3gkw s VAL 132 N 1.55 3.42 -0.04 3.43 0.11 0.13 -3.30 120.40 125.70 3gkw s VAL 132 Ca 0.05 -0.52 0.07 0.00 -2.93 0.00 0.00 61.98 58.65 3gkw s VAL 132 Cb -0.16 -2.49 -0.02 0.00 -1.53 0.00 0.00 36.38 32.19 3gkw s VAL 132 CO 0.02 0.49 -0.25 -0.69 -3.33 0.00 0.00 175.10 171.35 3gkw s VAL 133 N 0.58 2.12 -0.15 2.04 1.01 -0.68 0.22 120.40 125.53 3gkw s VAL 133 Ca -0.05 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 60.86 3gkw s VAL 133 Cb -0.15 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 3gkw s VAL 133 CO 0.03 0.57 -0.13 0.00 0.00 0.00 0.00 175.10 175.58 3gkw s LEU 135 N 0.71 3.91 -0.29 0.00 2.96 0.40 -1.31 118.68 125.06 3gkw s LEU 135 Ca -0.06 -0.87 -0.23 0.00 -0.22 0.00 0.00 54.13 52.75 3gkw s LEU 135 Cb -0.15 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.69 3gkw s LEU 135 CO 0.02 -0.23 0.79 -0.76 -1.32 0.00 0.00 176.35 174.85 3gkw s LEU 136 N 1.44 4.08 0.07 -0.68 1.02 -0.00 -1.48 118.68 123.13 3gkw s LEU 136 Ca 0.01 0.75 0.06 0.00 0.02 0.00 0.00 54.13 54.96 3gkw s LEU 136 Cb -0.18 -3.09 -0.04 0.00 0.02 0.00 0.00 46.19 42.91 3gkw s LEU 136 CO 0.02 -0.58 -0.08 0.21 0.02 0.00 0.00 176.35 175.94 3gkw s ASN 137 N 1.55 4.54 -0.63 2.29 2.47 -0.58 -0.89 114.94 123.68 3gkw s ASN 137 Ca 0.32 -0.29 -0.03 0.00 0.42 0.00 0.00 52.86 53.28 3gkw s ASN 137 Cb -0.14 -0.95 0.00 0.00 -1.45 0.00 0.00 41.25 38.71 3gkw s ASN 137 CO 0.11 0.21 0.44 0.59 -3.72 0.00 0.00 177.10 174.73 3gkw n ASN 138 N 0.93 -3.39 -4.36 -4.21 3.02 -0.93 -2.10 115.26 104.22 3gkw n ASN 138 Ca -0.14 -0.74 -0.22 0.00 -0.03 0.00 0.00 54.58 53.45 3gkw n ASN 138 Cb 0.52 -1.15 -0.10 0.00 -0.61 0.00 0.00 39.78 38.45 3gkw n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3gkw s PHE 139 N -2.86 1.86 -0.26 3.10 -0.12 -0.05 -4.61 117.98 115.05 3gkw s PHE 139 Ca 0.04 -1.07 -0.25 0.00 -0.05 0.00 0.00 56.93 55.60 3gkw s PHE 139 Cb -0.02 -1.21 0.07 0.00 -0.63 0.00 0.00 43.02 41.23 3gkw s PHE 139 CO 0.66 -0.11 0.74 -0.47 -0.05 0.00 0.00 175.22 175.99 3gkw s TYR 140 N -3.33 -0.76 0.59 3.49 5.04 -0.77 -0.59 117.35 121.02 3gkw s TYR 140 Ca 0.33 1.82 -0.10 0.00 -2.44 0.00 0.00 57.07 56.68 3gkw s TYR 140 Cb 0.07 0.29 0.14 0.00 0.35 0.00 0.00 41.96 42.81 3gkw s TYR 140 CO 0.15 -0.38 0.63 -0.35 -1.34 0.00 0.00 175.55 174.26 3gkw n PRO 141 N 2.55 -1.50 0.16 4.97 -0.04 -1.26 -2.02 135.00 137.85 3gkw n PRO 141 Ca -0.14 -0.99 0.04 0.00 -0.04 0.00 0.00 63.50 62.37 3gkw n PRO 141 Cb 0.55 -0.80 0.17 0.00 -0.04 0.00 0.00 33.50 33.38 3gkw n PRO 141 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 3gkw h ARG 142 N 0.00 0.00 -6.26 0.54 0.11 -1.99 -3.44 114.38 103.34 3gkw h ARG 142 Ca -0.22 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.31 3gkw h ARG 142 Cb 0.65 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.73 3gkw h ARG 142 CO 0.15 0.44 1.26 -1.21 0.10 0.00 0.00 179.97 180.71 3gkw s GLU 143 N -3.24 3.90 0.07 0.08 8.01 -1.26 -4.96 118.70 121.30 3gkw s GLU 143 Ca 0.02 2.36 -0.06 0.00 0.01 0.00 0.00 54.97 57.30 3gkw s GLU 143 Cb 0.09 -4.18 -0.02 0.00 -4.31 0.00 0.00 34.13 25.72 3gkw s GLU 143 CO 0.71 -1.22 0.11 0.00 0.01 0.00 0.00 175.26 174.88 3gkw s ALA 144 N 5.30 0.03 -0.08 5.21 0.00 -1.26 -4.69 121.76 126.26 3gkw s ALA 144 Ca 0.88 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.05 3gkw s ALA 144 Cb -0.38 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.15 3gkw s ALA 144 CO 0.38 -0.45 -0.16 0.21 0.00 0.00 0.00 175.76 175.73 3gkw s LYS 145 N -3.83 2.16 -0.18 0.00 2.47 0.81 -4.95 119.74 116.22 3gkw s LYS 145 Ca 0.05 -0.57 0.01 0.00 -1.56 0.00 0.00 55.97 53.90 3gkw s LYS 145 Cb 0.06 -1.74 0.04 0.00 -1.46 0.00 0.00 37.83 34.72 3gkw s LYS 145 CO -0.10 0.05 -0.11 0.08 0.16 0.00 0.00 175.35 175.43 3gkw s VAL 146 N 0.65 1.57 -0.02 4.02 1.01 -1.26 0.15 120.40 126.52 3gkw s VAL 146 Ca -0.14 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.04 3gkw s VAL 146 Cb -0.16 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3gkw s VAL 146 CO 0.04 0.25 -0.19 -1.10 0.00 0.00 0.00 175.10 174.11 3gkw s GLN 147 N 1.45 2.28 -0.04 2.72 -0.21 -0.56 -5.00 119.66 120.29 3gkw s GLN 147 Ca 0.01 -0.84 -0.02 0.00 0.02 0.00 0.00 55.36 54.53 3gkw s GLN 147 Cb -0.15 -2.23 -0.01 0.00 1.00 0.00 0.00 33.01 31.62 3gkw s GLN 147 CO -0.09 0.58 -0.04 -1.49 -2.12 0.00 0.00 175.29 172.14 3gkw h TRP 148 N 5.18 0.00 0.00 0.91 4.06 -1.97 -1.49 115.95 122.64 3gkw h TRP 148 Ca -0.46 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.49 3gkw h TRP 148 Cb 1.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 3gkw h TRP 148 CO 0.48 0.00 0.00 1.04 -3.56 0.00 0.00 178.44 176.40 3gkw n GLN 155 N -3.06 0.00 -3.64 0.49 1.13 -1.26 -4.87 117.38 106.17 3gkw n GLN 155 Ca -0.01 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.00 3gkw n GLN 155 Cb 0.05 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.33 3gkw n GLN 155 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3gkw s SER 156 N 0.00 -0.27 0.00 1.08 1.04 -1.26 -4.96 113.70 109.33 3gkw s SER 156 Ca 0.00 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.93 3gkw s SER 156 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3gkw s SER 156 CO 0.00 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.75 3gkw n GLY 157 N 2.24 0.70 1.57 7.32 0.00 -1.26 -4.96 105.19 110.80 3gkw n GLY 157 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.93 3gkw n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gkw n ASN 158 N 0.00 0.99 -3.99 1.61 6.94 -1.26 -5.09 115.26 114.46 3gkw n ASN 158 Ca 0.00 -2.00 -0.08 0.00 -0.02 0.00 0.00 54.58 52.48 3gkw n ASN 158 Cb 0.00 -0.30 -0.09 0.00 -2.36 0.00 0.00 39.78 37.03 3gkw n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3gkw s SER 159 N -2.08 0.31 0.08 0.53 1.04 -1.26 -2.88 113.70 109.45 3gkw s SER 159 Ca 0.33 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 56.03 3gkw s SER 159 Cb 0.38 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 3gkw s SER 159 CO -0.16 -0.58 -0.10 -1.10 0.98 0.00 0.00 173.24 172.29 3gkw s GLN 160 N -3.35 0.78 0.21 4.02 -0.21 -0.76 -4.91 119.66 115.45 3gkw s GLN 160 Ca 0.01 -1.06 0.11 0.00 0.02 0.00 0.00 55.36 54.44 3gkw s GLN 160 Cb 0.03 -0.52 -0.05 0.00 1.00 0.00 0.00 33.01 33.48 3gkw s GLN 160 CO -0.08 0.09 -0.21 -1.21 -2.12 0.00 0.00 175.29 171.75 3gkw s GLU 161 N -2.47 1.50 -0.01 2.91 2.02 -1.25 -0.20 118.70 121.20 3gkw s GLU 161 Ca 0.02 -1.57 -0.02 0.00 0.02 0.00 0.00 54.97 53.42 3gkw s GLU 161 Cb -0.05 -1.68 -0.00 0.00 0.10 0.00 0.00 34.13 32.50 3gkw s GLU 161 CO 0.00 0.34 0.03 0.45 0.02 0.00 0.00 175.26 176.11 3gkw s SER 162 N -2.93 0.02 -0.02 -0.19 0.15 -0.76 -4.97 113.70 105.00 3gkw s SER 162 Ca 0.22 -0.05 0.05 0.00 0.70 0.00 0.00 55.95 56.87 3gkw s SER 162 Cb -0.06 0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.34 3gkw s SER 162 CO 0.10 -0.10 -0.17 -0.69 1.20 0.00 0.00 173.24 173.59 3gkw s VAL 163 N -0.37 1.34 0.65 4.45 1.01 -1.26 -0.86 120.40 125.35 3gkw s VAL 163 Ca -0.04 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 3gkw s VAL 163 Cb -0.03 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3gkw s VAL 163 CO -0.00 0.38 1.04 0.42 0.00 0.00 0.00 175.10 176.94 3gkw s THR 164 N -0.25 4.34 0.89 3.92 -4.23 -0.59 -4.99 115.64 114.74 3gkw s THR 164 Ca 0.03 0.80 -0.11 0.00 -1.18 0.00 0.00 61.69 61.23 3gkw s THR 164 Cb -0.08 -3.62 0.13 0.00 1.34 0.00 0.00 72.50 70.27 3gkw s THR 164 CO 0.00 -0.96 1.10 -1.61 -0.54 0.00 0.00 174.62 172.61 3gkw s GLU 165 N -5.00 1.24 0.45 3.99 0.41 -1.26 -4.61 118.70 113.92 3gkw s GLU 165 Ca 0.57 1.09 -0.24 0.00 -0.41 0.00 0.00 54.97 55.98 3gkw s GLU 165 Cb -0.13 -1.79 -0.08 0.00 -1.78 0.00 0.00 34.13 30.36 3gkw s GLU 165 CO 0.52 -2.33 1.31 -0.65 -0.49 0.00 0.00 175.26 173.62 3gkw s GLN 166 N -4.81 3.72 0.06 1.61 -0.21 -1.26 -4.78 119.66 114.00 3gkw s GLN 166 Ca 0.64 2.15 -0.30 0.00 0.02 0.00 0.00 55.36 57.86 3gkw s GLN 166 Cb -0.20 -2.58 -0.05 0.00 1.00 0.00 0.00 33.01 31.18 3gkw s GLN 166 CO 0.58 -0.69 1.16 0.34 -2.12 0.00 0.00 175.29 174.56 3gkw s ASP 167 N -0.85 7.13 0.00 5.90 2.15 0.13 -4.87 116.67 126.26 3gkw s ASP 167 Ca 0.62 1.97 0.10 0.00 0.43 0.00 0.00 52.55 55.66 3gkw s ASP 167 Cb -0.38 -2.58 0.54 0.00 -0.30 0.00 0.00 42.92 40.21 3gkw s ASP 167 CO 0.47 -0.43 1.07 -1.54 -0.17 0.00 0.00 175.17 174.57 3gkw n SER 168 N 3.83 0.00 -0.02 -0.34 3.41 -1.26 -0.42 113.62 118.83 3gkw n SER 168 Ca 0.08 -0.16 -0.03 0.00 -0.26 0.00 0.00 58.87 58.50 3gkw n SER 168 Cb 0.47 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 3gkw n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gkw n LYS 169 N -1.09 0.09 0.06 4.33 5.02 -1.26 -2.52 118.16 122.79 3gkw n LYS 169 Ca 0.06 0.02 0.05 0.00 -2.02 0.00 0.00 58.31 56.42 3gkw n LYS 169 Cb 0.05 -0.96 -0.05 0.00 -0.02 0.00 0.00 35.03 34.04 3gkw n LYS 169 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3gkw n ASP 170 N -2.75 0.82 -1.50 4.39 8.00 -1.20 -4.87 116.55 119.45 3gkw n ASP 170 Ca -0.07 0.34 -0.19 0.00 0.71 0.00 0.00 54.79 55.59 3gkw n ASP 170 Cb 0.56 0.33 -0.08 0.00 -0.02 0.00 0.00 41.12 41.92 3gkw n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3gkw n SER 171 N -2.79 -5.34 -4.92 -2.24 7.64 0.44 -4.93 113.62 101.49 3gkw n SER 171 Ca -0.06 0.47 -0.26 0.00 1.01 0.00 0.00 58.87 60.03 3gkw n SER 171 Cb 0.72 -4.63 0.07 0.00 -1.01 0.00 0.00 64.21 59.36 3gkw n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gkw s THR 172 N -2.61 2.23 0.32 0.44 -4.23 -1.26 -4.53 115.64 106.00 3gkw s THR 172 Ca 0.00 -0.23 0.09 0.00 -1.18 0.00 0.00 61.69 60.37 3gkw s THR 172 Cb 0.00 -3.00 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 3gkw s THR 172 CO 0.00 0.00 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.76 3gkw s TYR 173 N -3.30 2.55 0.23 3.99 2.02 0.24 -0.69 117.35 122.38 3gkw s TYR 173 Ca 0.60 -0.39 0.09 0.00 -0.37 0.00 0.00 57.07 57.01 3gkw s TYR 173 Cb -0.11 -1.40 -0.05 0.00 -0.40 0.00 0.00 41.96 40.01 3gkw s TYR 173 CO 0.45 0.52 -0.17 -1.12 -1.57 0.00 0.00 175.55 173.67 3gkw s SER 174 N -3.69 2.94 -0.03 2.29 0.01 -1.26 -0.87 113.70 113.09 3gkw s SER 174 Ca 0.34 -1.00 -0.06 0.00 1.31 0.00 0.00 55.95 56.54 3gkw s SER 174 Cb -0.02 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.03 3gkw s SER 174 CO 0.19 -0.08 0.13 -0.22 0.41 0.00 0.00 173.24 173.67 3gkw s LEU 175 N -3.30 1.54 -0.07 2.44 1.98 -0.07 -1.54 118.68 119.66 3gkw s LEU 175 Ca 0.24 0.06 0.04 0.00 -2.89 0.00 0.00 54.13 51.58 3gkw s LEU 175 Cb -0.03 0.53 -0.02 0.00 0.66 0.00 0.00 46.19 47.34 3gkw s LEU 175 CO 0.10 -0.18 -0.18 -0.44 -1.89 0.00 0.00 176.35 173.75 3gkw s SER 176 N -0.55 3.63 -0.14 3.68 0.01 -0.04 -0.82 113.70 119.46 3gkw s SER 176 Ca -0.06 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 56.85 3gkw s SER 176 Cb -0.04 -1.01 -0.00 0.00 0.21 0.00 0.00 66.02 65.18 3gkw s SER 176 CO 0.01 0.26 -0.18 -0.55 0.41 0.00 0.00 173.24 173.19 3gkw s SER 177 N -0.26 3.49 -0.28 2.44 0.15 -0.43 -1.83 113.70 116.99 3gkw s SER 177 Ca 0.00 -0.50 -0.02 0.00 0.70 0.00 0.00 55.95 56.14 3gkw s SER 177 Cb -0.13 -1.52 0.04 0.00 -1.71 0.00 0.00 66.02 62.70 3gkw s SER 177 CO 0.03 0.10 -0.03 -0.89 1.20 0.00 0.00 173.24 173.66 3gkw s THR 178 N 0.69 2.96 -0.09 6.45 2.01 0.72 -0.40 115.64 127.99 3gkw s THR 178 Ca -0.08 -1.20 -0.24 0.00 0.31 0.00 0.00 61.69 60.48 3gkw s THR 178 Cb -0.16 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 3gkw s THR 178 CO 0.02 0.04 0.72 -0.22 -0.69 0.00 0.00 174.62 174.49 3gkw s LEU 179 N 1.29 4.29 -0.15 4.42 2.96 0.13 -1.84 118.68 129.79 3gkw s LEU 179 Ca -0.03 1.17 0.01 0.00 -0.22 0.00 0.00 54.13 55.07 3gkw s LEU 179 Cb -0.18 -3.10 0.00 0.00 0.50 0.00 0.00 46.19 43.41 3gkw s LEU 179 CO -0.03 -0.17 -0.17 0.42 -1.32 0.00 0.00 176.35 175.08 3gkw s THR 180 N 1.06 2.45 0.31 3.68 -4.23 -1.14 0.19 115.64 117.96 3gkw s THR 180 Ca 0.37 -0.84 0.04 0.00 -1.18 0.00 0.00 61.69 60.08 3gkw s THR 180 Cb -0.18 -2.02 -0.06 0.00 1.34 0.00 0.00 72.50 71.58 3gkw s THR 180 CO 0.17 0.53 0.06 -0.76 -0.54 0.00 0.00 174.62 174.07 3gkw s LEU 181 N 0.87 2.13 0.34 4.79 1.43 0.13 -4.92 118.68 123.44 3gkw s LEU 181 Ca -0.05 -1.37 -0.27 0.00 -1.03 0.00 0.00 54.13 51.41 3gkw s LEU 181 Cb -0.15 -0.34 -0.09 0.00 0.03 0.00 0.00 46.19 45.63 3gkw s LEU 181 CO -0.02 -0.61 1.09 -0.94 0.23 0.00 0.00 176.35 176.10 3gkw s SER 182 N -3.46 6.98 -0.42 2.29 1.04 -1.26 0.15 113.70 119.02 3gkw s SER 182 Ca 0.36 2.19 -0.28 0.00 0.48 0.00 0.00 55.95 58.71 3gkw s SER 182 Cb 0.08 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.62 3gkw s SER 182 CO 0.15 -0.34 1.06 -0.75 0.98 0.00 0.00 173.24 174.34 3gkw s LYS 183 N -1.94 3.80 0.00 4.02 2.36 -0.78 -3.64 119.74 123.56 3gkw s LYS 183 Ca 0.51 0.63 0.00 0.00 -2.55 0.00 0.00 55.97 54.56 3gkw s LYS 183 Cb -0.28 -3.85 0.00 0.00 -1.05 0.00 0.00 37.83 32.64 3gkw s LYS 183 CO 0.36 -1.18 0.00 0.00 1.55 0.00 0.00 175.35 176.08 3gkw n ALA 184 N 7.36 0.00 0.00 3.13 0.00 -1.26 -4.73 120.51 125.00 3gkw n ALA 184 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3gkw n ALA 184 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3gkw n ALA 184 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gkw n ASP 185 N 0.00 0.00 0.00 0.00 8.00 -1.26 -5.22 116.55 118.07 3gkw n ASP 185 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3gkw n ASP 185 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3gkw n ASP 185 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gkw n TYR 186 N 0.00 0.00 -3.16 1.24 9.36 -1.24 -5.03 117.16 118.33 3gkw n TYR 186 Ca 0.00 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.27 3gkw n TYR 186 Cb 0.00 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.69 3gkw n TYR 186 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3gkw s GLU 195 N 2.87 2.83 -0.09 0.00 2.12 -0.56 0.94 118.70 126.80 3gkw s GLU 195 Ca -0.07 -0.86 0.02 0.00 0.36 0.00 0.00 54.97 54.42 3gkw s GLU 195 Cb -0.08 -2.28 -0.02 0.00 0.26 0.00 0.00 34.13 32.02 3gkw s GLU 195 CO -0.09 0.30 -0.16 0.08 -0.54 0.00 0.00 175.26 174.85 3gkw s VAL 196 N 0.05 2.83 -0.15 3.70 1.01 -0.32 -1.49 120.40 126.02 3gkw s VAL 196 Ca -0.09 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 3gkw s VAL 196 Cb -0.15 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 3gkw s VAL 196 CO 0.06 0.55 -0.06 -0.89 0.00 0.00 0.00 175.10 174.77 3gkw s THR 197 N -0.05 3.70 -0.25 3.92 2.01 0.41 -2.40 115.64 122.98 3gkw s THR 197 Ca -0.04 -0.42 -0.17 0.00 0.31 0.00 0.00 61.69 61.37 3gkw s THR 197 Cb -0.14 -2.62 0.07 0.00 0.01 0.00 0.00 72.50 69.82 3gkw s THR 197 CO 0.04 0.49 0.62 -2.28 -0.69 0.00 0.00 174.62 172.81 3gkw s HIS 198 N 0.42 -0.85 0.57 4.92 5.04 -1.26 -0.13 115.29 123.99 3gkw s HIS 198 Ca -0.05 1.83 0.43 0.00 -1.54 0.00 0.00 55.06 55.73 3gkw s HIS 198 Cb -0.15 0.42 1.55 0.00 0.04 0.00 0.00 32.58 34.44 3gkw s HIS 198 CO 0.03 -0.42 1.58 0.37 -2.34 0.00 0.00 174.74 173.96 3gkw h GLN 199 N 6.30 0.00 -0.00 2.88 4.15 -1.93 1.16 115.11 127.67 3gkw h GLN 199 Ca -0.31 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.11 3gkw h GLN 199 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 3gkw h GLN 199 CO 0.16 0.00 -0.05 0.41 -1.93 0.00 0.00 178.83 177.42 3gkw n GLY 200 N -1.84 -1.30 3.42 2.39 0.00 -1.26 -4.74 105.19 101.86 3gkw n GLY 200 Ca 0.36 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3gkw n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gkw s LEU 201 N -2.72 3.16 0.24 0.99 1.43 0.40 -4.48 118.68 117.70 3gkw s LEU 201 Ca 0.23 -0.24 0.24 0.00 -1.03 0.00 0.00 54.13 53.34 3gkw s LEU 201 Cb 0.20 -1.79 0.93 0.00 0.03 0.00 0.00 46.19 45.55 3gkw s LEU 201 CO 0.50 0.06 1.73 -1.54 0.23 0.00 0.00 176.35 177.34 3gkw n SER 202 N 4.24 0.71 -3.69 2.29 3.41 -1.26 -4.62 113.62 114.70 3gkw n SER 202 Ca -0.17 0.64 -0.11 0.00 -0.26 0.00 0.00 58.87 58.96 3gkw n SER 202 Cb 0.52 -0.80 -0.11 0.00 -0.26 0.00 0.00 64.21 63.55 3gkw n SER 202 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gkw s SER 203 N -4.33 -0.29 0.02 4.04 0.15 -1.26 -5.13 113.70 106.91 3gkw s SER 203 Ca 0.06 0.78 -0.39 0.00 0.70 0.00 0.00 55.95 57.11 3gkw s SER 203 Cb 0.10 0.78 -0.19 0.00 -1.71 0.00 0.00 66.02 65.00 3gkw s SER 203 CO 0.46 -0.20 1.10 -2.65 1.20 0.00 0.00 173.24 173.15 3gkw n PRO 204 N 4.62 0.22 -4.25 5.44 -0.02 -1.26 -4.96 135.00 134.78 3gkw n PRO 204 Ca -0.19 0.08 -0.34 0.00 -2.02 0.00 0.00 63.50 61.03 3gkw n PRO 204 Cb 0.53 -1.59 -0.12 0.00 -0.02 0.00 0.00 33.50 32.30 3gkw n PRO 204 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3gkw s VAL 205 N 0.05 3.94 -0.14 -1.45 -7.23 -1.01 -4.90 120.40 109.66 3gkw s VAL 205 Ca 0.89 -0.33 -0.08 0.00 -1.81 0.00 0.00 61.98 60.65 3gkw s VAL 205 Cb -1.20 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 32.95 3gkw s VAL 205 CO 0.55 0.47 0.12 -0.89 -0.31 0.00 0.00 175.10 175.04 3gkw s THR 206 N 0.62 5.37 -0.45 5.32 2.01 -1.26 -1.17 115.64 126.08 3gkw s THR 206 Ca -0.02 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.18 3gkw s THR 206 Cb -0.14 -3.37 0.03 0.00 0.01 0.00 0.00 72.50 69.03 3gkw s THR 206 CO 0.02 0.56 0.61 0.29 -0.69 0.00 0.00 174.62 175.42