#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfy s GLU 2 N 0.00 0.52 0.53 0.00 2.56 -1.26 -5.15 118.70 115.91 1kfy s GLU 2 Ca 0.00 -0.93 -0.19 0.00 0.00 0.00 0.00 54.97 53.84 1kfy s GLU 2 Cb 0.00 -0.98 -0.06 0.00 2.00 0.00 0.00 34.13 35.09 1kfy s GLU 2 CO 0.00 -1.17 1.11 -1.64 -0.56 0.00 0.00 175.26 173.00 1kfy s MET 3 N 1.46 3.45 0.67 4.30 -1.94 -1.26 -5.04 119.30 120.93 1kfy s MET 3 Ca 0.16 1.54 -0.09 0.00 -1.71 0.00 0.00 55.69 55.59 1kfy s MET 3 Cb -0.18 -2.03 0.02 0.00 2.01 0.00 0.00 34.83 34.65 1kfy s MET 3 CO -0.08 -0.76 1.02 0.15 -0.01 0.00 0.00 175.02 175.34 1kfy s LYS 4 N -3.31 2.76 0.04 2.03 1.02 -1.21 -4.86 119.74 116.20 1kfy s LYS 4 Ca 0.71 0.20 0.08 0.00 0.02 0.00 0.00 55.97 56.98 1kfy s LYS 4 Cb -0.22 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1kfy s LYS 4 CO 0.26 -0.96 -0.23 -0.80 -0.92 0.00 0.00 175.35 172.70 1kfy s ASN 5 N -4.37 2.74 -0.10 2.83 -0.87 -1.26 -1.08 114.94 112.84 1kfy s ASN 5 Ca 0.57 -0.53 0.00 0.00 -1.57 0.00 0.00 52.86 51.33 1kfy s ASN 5 Cb -0.11 -0.25 0.02 0.00 -0.02 0.00 0.00 41.25 40.90 1kfy s ASN 5 CO 0.48 0.21 -0.08 -0.22 -2.57 0.00 0.00 177.10 174.92 1kfy s LEU 6 N -1.13 1.25 -0.70 0.60 2.96 -0.16 -4.94 118.68 116.57 1kfy s LEU 6 Ca 0.09 -0.28 -0.27 0.00 -0.22 0.00 0.00 54.13 53.45 1kfy s LEU 6 Cb -0.09 -0.79 0.02 0.00 0.50 0.00 0.00 46.19 45.82 1kfy s LEU 6 CO 0.02 -0.09 1.43 -0.75 -1.32 0.00 0.00 176.35 175.64 1kfy s LYS 7 N 1.47 3.06 -0.11 1.98 2.20 -1.26 -2.35 119.74 124.73 1kfy s LYS 7 Ca 0.00 0.02 -0.15 0.00 -0.36 0.00 0.00 55.97 55.48 1kfy s LYS 7 Cb -0.13 -4.23 -0.05 0.00 -1.51 0.00 0.00 37.83 31.91 1kfy s LYS 7 CO -0.05 -2.28 0.38 0.42 -0.36 0.00 0.00 175.35 173.46 1kfy s ILE 8 N 6.60 5.20 -0.34 5.43 1.01 -0.73 -4.37 121.20 134.00 1kfy s ILE 8 Ca 0.44 0.75 -0.14 0.00 0.00 0.00 0.00 60.65 61.71 1kfy s ILE 8 Cb -0.09 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 1kfy s ILE 8 CO 0.17 0.42 0.28 -0.70 0.00 0.00 0.00 174.94 175.10 1kfy s GLU 9 N 0.12 3.50 -0.10 2.79 2.12 0.15 -1.27 118.70 126.00 1kfy s GLU 9 Ca 0.22 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 54.97 1kfy s GLU 9 Cb -0.15 -3.81 -0.02 0.00 0.26 0.00 0.00 34.13 30.42 1kfy s GLU 9 CO 0.08 -0.47 -0.15 0.08 -0.54 0.00 0.00 175.26 174.26 1kfy s VAL 10 N 1.80 2.96 -0.77 3.70 1.01 0.32 0.42 120.40 129.84 1kfy s VAL 10 Ca 0.08 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.10 1kfy s VAL 10 Cb -0.17 -2.20 0.06 0.00 0.00 0.00 0.00 36.38 34.07 1kfy s VAL 10 CO 0.11 0.55 1.15 -0.69 0.00 0.00 0.00 175.10 176.22 1kfy s VAL 11 N -0.02 4.14 0.36 2.92 1.01 0.23 -0.18 120.40 128.85 1kfy s VAL 11 Ca -0.04 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1kfy s VAL 11 Cb -0.14 -4.82 -0.05 0.00 0.00 0.00 0.00 36.38 31.37 1kfy s VAL 11 CO 0.04 -1.65 0.64 -0.13 0.00 0.00 0.00 175.10 174.00 1kfy s ARG 12 N 4.52 3.61 -0.30 2.72 0.52 0.14 -4.61 118.95 125.55 1kfy s ARG 12 Ca 0.31 0.07 -0.09 0.00 -0.52 0.00 0.00 55.73 55.50 1kfy s ARG 12 Cb -0.10 -2.55 0.14 0.00 0.52 0.00 0.00 34.95 32.96 1kfy s ARG 12 CO 0.06 0.07 0.66 -0.47 0.02 0.00 0.00 175.30 175.65 1kfy s TYR 13 N -2.31 -1.35 -0.31 -0.53 5.04 -1.26 -0.75 117.35 115.87 1kfy s TYR 13 Ca 0.45 2.14 -0.05 0.00 -2.44 0.00 0.00 57.07 57.17 1kfy s TYR 13 Cb -0.10 0.74 0.03 0.00 0.35 0.00 0.00 41.96 42.98 1kfy s TYR 13 CO 0.34 -0.69 0.05 1.21 -1.34 0.00 0.00 175.55 175.13 1kfy s ASN 14 N 2.87 5.04 0.00 4.32 2.47 -1.26 -1.08 114.94 127.30 1kfy s ASN 14 Ca -0.01 -1.04 0.04 0.00 0.42 0.00 0.00 52.86 52.28 1kfy s ASN 14 Cb -0.12 -1.81 0.23 0.00 -1.45 0.00 0.00 41.25 38.10 1kfy s ASN 14 CO -0.19 -0.25 0.63 -0.81 -3.72 0.00 0.00 177.10 172.75 1kfy n PRO 15 N 4.76 0.38 0.00 0.43 -0.04 -1.26 -0.04 135.00 139.23 1kfy n PRO 15 Ca -0.14 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.35 1kfy n PRO 15 Cb 0.45 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 1kfy n PRO 15 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1kfy n GLU 16 N -0.66 4.46 0.00 0.54 1.02 -1.26 -4.82 120.64 119.92 1kfy n GLU 16 Ca 0.03 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1kfy n GLU 16 Cb 0.01 -0.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1kfy n GLU 16 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1kfy n VAL 17 N -0.93 0.00 -3.36 2.62 0.31 -0.72 -5.10 118.33 111.15 1kfy n VAL 17 Ca 0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.99 1kfy n VAL 17 Cb 0.10 -0.19 -0.06 0.00 -0.91 0.00 0.00 33.84 32.78 1kfy n VAL 17 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1kfy s ASP 18 N -3.42 6.81 0.03 4.52 -0.00 0.95 -4.97 116.67 120.58 1kfy s ASP 18 Ca 0.00 1.07 0.13 0.00 -0.00 0.00 0.00 52.55 53.75 1kfy s ASP 18 Cb 0.00 -2.28 -0.18 0.00 -0.00 0.00 0.00 42.92 40.45 1kfy s ASP 18 CO 0.00 0.09 0.83 0.71 -0.00 0.00 0.00 175.17 176.80 1kfy h THR 19 N 2.75 0.83 -2.73 -1.27 1.35 -1.97 -3.42 112.91 108.45 1kfy h THR 19 Ca -0.48 -2.53 -0.10 0.00 -0.55 0.00 0.00 66.41 62.74 1kfy h THR 19 Cb 1.19 2.34 -0.20 0.00 -1.73 0.00 0.00 68.15 69.75 1kfy h THR 19 CO 0.66 0.48 -0.16 0.00 -0.25 0.00 0.00 175.52 176.25 1kfy s ALA 20 N -2.73 -1.06 0.70 6.62 0.00 -1.26 -5.13 121.76 118.89 1kfy s ALA 20 Ca -0.03 0.72 -0.16 0.00 0.00 0.00 0.00 51.96 52.49 1kfy s ALA 20 Cb 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 1kfy s ALA 20 CO 0.82 -0.28 1.02 -0.35 0.00 0.00 0.00 175.76 176.97 1kfy n PRO 21 N 1.48 0.64 -4.12 0.00 -0.04 -1.26 -4.94 135.00 126.76 1kfy n PRO 21 Ca -0.19 0.27 -0.09 0.00 -0.04 0.00 0.00 63.50 63.45 1kfy n PRO 21 Cb 0.56 -2.26 -0.10 0.00 -0.04 0.00 0.00 33.50 31.66 1kfy n PRO 21 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1kfy s HIS 22 N -1.72 0.69 0.00 0.54 -3.43 0.07 -4.99 115.29 106.45 1kfy s HIS 22 Ca 0.75 -0.93 -0.18 0.00 -0.80 0.00 0.00 55.06 53.90 1kfy s HIS 22 Cb -0.36 -0.44 -0.06 0.00 -1.43 0.00 0.00 32.58 30.29 1kfy s HIS 22 CO 0.48 -0.24 0.51 -1.12 -2.00 0.00 0.00 174.74 172.38 1kfy s SER 23 N -2.81 6.91 -0.03 7.38 0.01 -1.26 0.24 113.70 124.14 1kfy s SER 23 Ca 0.07 1.08 0.04 0.00 1.31 0.00 0.00 55.95 58.45 1kfy s SER 23 Cb 0.05 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.95 1kfy s SER 23 CO -0.06 0.20 -0.16 0.00 0.41 0.00 0.00 173.24 173.63 1kfy s ALA 24 N -0.59 1.36 -0.05 1.44 0.00 0.74 -4.91 121.76 119.75 1kfy s ALA 24 Ca 0.27 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1kfy s ALA 24 Cb -0.18 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1kfy s ALA 24 CO 0.15 0.28 -0.02 -0.06 0.00 0.00 0.00 175.76 176.11 1kfy s PHE 25 N -0.11 3.06 -0.05 0.00 0.40 -1.26 0.12 117.98 120.14 1kfy s PHE 25 Ca 0.00 0.10 -0.03 0.00 -0.60 0.00 0.00 56.93 56.40 1kfy s PHE 25 Cb -0.09 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.74 1kfy s PHE 25 CO 0.01 0.43 0.12 0.71 0.70 0.00 0.00 175.22 177.18 1kfy s TYR 26 N -0.94 -0.13 -0.24 0.36 1.51 -0.40 -4.98 117.35 112.54 1kfy s TYR 26 Ca 0.15 0.35 -0.26 0.00 -1.01 0.00 0.00 57.07 56.30 1kfy s TYR 26 Cb -0.11 -0.02 -0.00 0.00 -0.11 0.00 0.00 41.96 41.72 1kfy s TYR 26 CO 0.05 -0.10 0.89 -1.21 -1.11 0.00 0.00 175.55 174.08 1kfy s GLU 27 N 0.49 4.21 -0.07 -0.62 0.41 -1.26 -1.77 118.70 120.09 1kfy s GLU 27 Ca -0.04 1.07 0.04 0.00 -0.41 0.00 0.00 54.97 55.63 1kfy s GLU 27 Cb -0.05 -3.64 0.00 0.00 -1.78 0.00 0.00 34.13 28.66 1kfy s GLU 27 CO -0.02 -0.55 -0.18 0.08 -0.49 0.00 0.00 175.26 174.10 1kfy s VAL 28 N 2.94 1.53 0.44 2.63 1.01 -0.99 -4.95 120.40 123.01 1kfy s VAL 28 Ca 0.38 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 1kfy s VAL 28 Cb -0.15 -1.34 -0.09 0.00 0.00 0.00 0.00 36.38 34.80 1kfy s VAL 28 CO 0.07 0.44 1.06 -2.84 0.00 0.00 0.00 175.10 173.83 1kfy s PRO 29 N 0.36 3.99 0.20 2.72 0.02 -1.26 -0.99 135.00 140.03 1kfy s PRO 29 Ca -0.12 1.48 -0.19 0.00 0.02 0.00 0.00 61.00 62.19 1kfy s PRO 29 Cb -0.15 -2.36 0.03 0.00 0.02 0.00 0.00 34.50 32.05 1kfy s PRO 29 CO 0.05 -0.29 0.56 1.52 -0.33 0.00 0.00 177.00 178.51 1kfy s TYR 30 N -1.77 -0.20 0.24 6.54 -0.85 -0.24 -4.91 117.35 116.16 1kfy s TYR 30 Ca 0.62 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 57.04 1kfy s TYR 30 Cb -0.20 0.46 0.00 0.00 0.38 0.00 0.00 41.96 42.60 1kfy s TYR 30 CO 0.25 -0.94 0.31 -0.40 -1.52 0.00 0.00 175.55 173.25 1kfy n ASP 31 N -0.36 -0.85 0.00 -0.18 3.85 -1.26 -3.34 116.55 114.41 1kfy n ASP 31 Ca -0.10 -2.34 0.00 0.00 -0.71 0.00 0.00 54.79 51.64 1kfy n ASP 31 Cb 0.62 1.62 0.00 0.00 -1.35 0.00 0.00 41.12 42.02 1kfy n ASP 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1kfy n ALA 32 N -1.43 1.02 0.32 2.12 0.00 -1.26 -1.93 120.51 119.35 1kfy n ALA 32 Ca -0.09 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.39 1kfy n ALA 32 Cb 0.40 -0.89 -0.05 0.00 0.00 0.00 0.00 19.45 18.92 1kfy n ALA 32 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1kfy n THR 33 N -1.29 0.00 -1.73 0.00 -2.24 -1.26 -4.91 114.28 102.85 1kfy n THR 33 Ca 0.00 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 1kfy n THR 33 Cb 0.04 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 1kfy n THR 33 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1kfy s THR 34 N -1.98 2.72 0.42 4.28 2.01 -0.82 -5.01 115.64 117.28 1kfy s THR 34 Ca 0.02 0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.19 1kfy s THR 34 Cb 0.06 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.50 1kfy s THR 34 CO 0.36 -0.00 0.42 -0.94 -0.69 0.00 0.00 174.62 173.76 1kfy s SER 35 N 3.13 5.14 0.12 3.53 1.04 -1.26 -2.33 113.70 123.07 1kfy s SER 35 Ca 0.82 -0.71 -0.17 0.00 0.48 0.00 0.00 55.95 56.37 1kfy s SER 35 Cb -0.44 -0.54 -0.03 0.00 0.10 0.00 0.00 66.02 65.11 1kfy s SER 35 CO 0.37 -0.70 1.63 0.25 0.98 0.00 0.00 173.24 175.77 1kfy h LEU 36 N 0.93 0.51 -0.86 2.42 5.85 0.63 -0.44 115.31 124.35 1kfy h LEU 36 Ca -0.41 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.18 1kfy h LEU 36 Cb 1.27 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 1kfy h LEU 36 CO 0.55 0.59 0.52 0.25 -0.34 0.00 0.00 178.44 180.01 1kfy h LEU 37 N 0.40 0.80 -0.38 2.25 5.85 -1.60 0.12 115.31 122.76 1kfy h LEU 37 Ca 0.11 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1kfy h LEU 37 Cb 0.27 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1kfy h LEU 37 CO -0.00 0.49 0.22 0.44 -0.34 0.00 0.00 178.44 179.25 1kfy h ASP 38 N 0.92 0.36 -0.56 1.25 3.32 -1.65 -1.87 116.42 118.19 1kfy h ASP 38 Ca 0.39 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.48 1kfy h ASP 38 Cb 0.26 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 1kfy h ASP 38 CO -0.20 0.26 0.33 0.00 -1.72 0.00 0.00 179.24 177.91 1kfy h ALA 39 N 1.17 0.73 -0.80 3.45 0.00 0.70 -2.03 119.26 122.48 1kfy h ALA 39 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1kfy h ALA 39 Cb 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1kfy h ALA 39 CO -0.07 0.05 0.53 -0.07 0.00 0.00 0.00 179.25 179.68 1kfy h LEU 40 N 0.66 0.90 -0.76 0.00 3.38 -0.53 -0.55 115.31 118.41 1kfy h LEU 40 Ca 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1kfy h LEU 40 Cb 0.04 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1kfy h LEU 40 CO -0.11 0.64 0.48 1.23 0.09 0.00 0.00 178.44 180.78 1kfy h GLY 41 N 1.06 1.09 0.99 0.83 0.00 -0.83 -1.10 103.07 105.11 1kfy h GLY 41 Ca 0.30 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1kfy h GLY 41 CO -0.08 0.42 0.24 -1.82 0.00 0.00 0.00 176.54 175.30 1kfy h TYR 42 N 1.04 0.49 0.03 5.60 3.20 -0.60 0.11 116.97 126.83 1kfy h TYR 42 Ca 0.28 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 1kfy h TYR 42 Cb -0.08 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1kfy h TYR 42 CO -0.01 0.34 -0.01 0.82 -1.64 0.00 0.00 178.16 177.65 1kfy h ILE 43 N 0.51 1.00 -0.65 1.81 1.08 -0.83 -1.10 117.51 119.32 1kfy h ILE 43 Ca 0.14 -0.07 0.07 0.00 -0.39 0.00 0.00 64.86 64.61 1kfy h ILE 43 Cb -0.02 1.05 -0.06 0.00 -3.07 0.00 0.00 36.82 34.71 1kfy h ILE 43 CO -0.03 0.02 0.33 0.50 -0.69 0.00 0.00 178.15 178.28 1kfy h LYS 44 N -0.07 0.58 -0.12 2.37 1.63 -1.01 0.34 116.57 120.29 1kfy h LYS 44 Ca -0.00 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1kfy h LYS 44 Cb 0.06 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.55 1kfy h LYS 44 CO 0.01 0.38 -0.00 -0.44 -3.45 0.00 0.00 179.45 175.94 1kfy h ASP 45 N 0.60 0.22 0.00 4.20 5.19 -0.68 -3.18 116.42 122.77 1kfy h ASP 45 Ca 0.31 -0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1kfy h ASP 45 Cb 0.26 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1kfy h ASP 45 CO -0.22 0.49 -0.02 0.59 -3.12 0.00 0.00 179.24 176.95 1kfy n ASN 46 N -4.78 0.11 -0.05 6.45 3.02 -0.44 -4.91 115.26 114.66 1kfy n ASN 46 Ca -0.06 -0.45 -0.09 0.00 -0.03 0.00 0.00 54.58 53.95 1kfy n ASN 46 Cb 0.21 0.92 -0.04 0.00 -0.61 0.00 0.00 39.78 40.26 1kfy n ASN 46 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1kfy n LEU 47 N -0.93 1.67 -3.29 3.41 4.77 0.84 -4.99 117.00 118.48 1kfy n LEU 47 Ca 0.00 0.05 -0.08 0.00 -0.03 0.00 0.00 56.01 55.95 1kfy n LEU 47 Cb 0.00 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 1kfy n LEU 47 CO 0.00 0.40 -0.04 0.00 -1.33 0.00 0.00 177.39 176.42 1kfy s ALA 48 N -2.19 -1.34 0.13 -1.18 0.00 0.76 -5.01 121.76 112.94 1kfy s ALA 48 Ca -0.14 -0.38 0.22 0.00 0.00 0.00 0.00 51.96 51.66 1kfy s ALA 48 Cb 0.05 -2.36 1.21 0.00 0.00 0.00 0.00 23.12 22.01 1kfy s ALA 48 CO 0.20 -2.16 1.64 -1.35 0.00 0.00 0.00 175.76 174.09 1kfy h PRO 49 N 7.08 0.00 -0.00 0.00 0.11 -1.74 -1.93 132.00 135.53 1kfy h PRO 49 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1kfy h PRO 49 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1kfy h PRO 49 CO 0.16 0.00 -0.05 -0.40 -0.21 0.00 0.00 178.00 177.50 1kfy n ASP 50 N -2.38 0.49 -4.62 -2.05 5.68 -1.26 -4.83 116.55 107.59 1kfy n ASP 50 Ca -0.01 -0.83 -0.43 0.00 -0.50 0.00 0.00 54.79 53.02 1kfy n ASP 50 Cb 0.21 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.12 1kfy n ASP 50 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1kfy s LEU 51 N -2.26 3.73 -0.03 -2.12 2.96 -0.72 -5.00 118.68 115.23 1kfy s LEU 51 Ca 0.36 1.17 0.01 0.00 -0.22 0.00 0.00 54.13 55.44 1kfy s LEU 51 Cb 0.21 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.33 1kfy s LEU 51 CO 0.42 -1.33 -0.01 -0.44 -1.32 0.00 0.00 176.35 173.67 1kfy s SER 52 N 3.92 5.06 0.15 3.68 0.01 -1.26 -4.88 113.70 120.38 1kfy s SER 52 Ca 0.64 0.02 -0.23 0.00 1.31 0.00 0.00 55.95 57.69 1kfy s SER 52 Cb -0.18 -1.33 0.07 0.00 0.21 0.00 0.00 66.02 64.79 1kfy s SER 52 CO 0.29 0.31 0.62 -0.72 0.41 0.00 0.00 173.24 174.15 1kfy s TYR 53 N -1.00 -0.53 0.14 2.43 -0.85 -1.26 -2.89 117.35 113.40 1kfy s TYR 53 Ca 0.17 0.34 0.00 0.00 -0.52 0.00 0.00 57.07 57.06 1kfy s TYR 53 Cb -0.11 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 1kfy s TYR 53 CO 0.07 -0.83 0.31 1.03 -1.52 0.00 0.00 175.55 174.61 1kfy s ARG 54 N -3.67 3.48 0.00 -3.49 0.52 -1.26 -5.02 118.95 109.50 1kfy s ARG 54 Ca 0.01 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 1kfy s ARG 54 Cb -0.01 -2.94 0.00 0.00 0.52 0.00 0.00 34.95 32.52 1kfy s ARG 54 CO -0.12 0.50 0.00 -2.67 0.02 0.00 0.00 175.30 173.03 1kfy n TRP 55 N -0.34 0.00 0.00 -0.53 4.27 -1.26 -4.04 117.44 115.54 1kfy n TRP 55 Ca -0.05 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.56 1kfy n TRP 55 Cb 0.53 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.48 1kfy n TRP 55 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1kfy n SER 56 N 0.00 0.00 -0.31 -0.67 2.88 -1.26 -4.98 113.62 109.29 1kfy n SER 56 Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 1kfy n SER 56 Cb 0.00 0.03 0.43 0.00 -0.75 0.00 0.00 64.21 63.92 1kfy n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kfy n ARG 58 N -4.64 -1.39 -2.16 0.00 1.74 -1.26 -4.81 116.66 104.15 1kfy n ARG 58 Ca 0.22 0.40 0.01 0.00 -0.77 0.00 0.00 57.85 57.72 1kfy n ARG 58 Cb 0.68 -4.47 0.04 0.00 -1.02 0.00 0.00 32.46 27.69 1kfy n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kfy n MET 59 N -0.33 0.87 -4.07 5.56 0.00 -1.26 -5.00 117.12 112.88 1kfy n MET 59 Ca -0.01 -2.64 -0.30 0.00 0.00 0.00 0.00 57.70 54.76 1kfy n MET 59 Cb 0.36 -0.72 -0.03 0.00 0.00 0.00 0.00 33.22 32.83 1kfy n MET 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1kfy n ALA 60 N -0.12 -1.74 0.00 3.17 0.00 -1.26 -4.83 120.51 115.73 1kfy n ALA 60 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1kfy n ALA 60 Cb 0.96 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1kfy n ALA 60 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1kfy n ILE 61 N -4.42 0.00 -0.06 0.00 0.13 -1.26 -4.88 119.36 108.87 1kfy n ILE 61 Ca -0.17 -0.04 -0.21 0.00 -1.10 0.00 0.00 62.75 61.23 1kfy n ILE 61 Cb 0.62 0.64 -0.13 0.00 -0.84 0.00 0.00 39.64 39.93 1kfy n ILE 61 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1kfy n GLY 63 N 1.59 1.36 0.10 0.00 0.00 -1.26 -4.78 105.19 102.19 1kfy n GLY 63 Ca -0.27 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 1kfy n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kfy n SER 64 N 0.05 0.64 -0.13 1.61 7.64 -1.26 -4.24 113.62 117.92 1kfy n SER 64 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1kfy n SER 64 Cb 0.00 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1kfy n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kfy n GLY 66 N 0.30 0.50 3.81 0.00 0.00 -1.26 -3.19 105.19 105.35 1kfy n GLY 66 Ca 0.00 0.68 -0.05 0.00 0.00 0.00 0.00 46.02 46.66 1kfy n GLY 66 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1kfy s MET 67 N 0.45 1.50 -0.18 1.61 0.23 -0.55 -4.34 119.30 118.00 1kfy s MET 67 Ca 0.83 -0.88 -0.09 0.00 -1.03 0.00 0.00 55.69 54.51 1kfy s MET 67 Cb -0.92 0.47 -0.05 0.00 -1.53 0.00 0.00 34.83 32.80 1kfy s MET 67 CO 0.46 -0.69 0.13 -1.64 -2.03 0.00 0.00 175.02 171.25 1kfy s MET 68 N -3.02 4.02 -0.23 3.16 1.00 -0.08 -0.13 119.30 124.03 1kfy s MET 68 Ca 0.15 -0.20 0.02 0.00 0.00 0.00 0.00 55.69 55.65 1kfy s MET 68 Cb -0.03 -3.37 0.05 0.00 0.00 0.00 0.00 34.83 31.48 1kfy s MET 68 CO 0.05 0.40 -0.10 0.08 0.00 0.00 0.00 175.02 175.46 1kfy s VAL 69 N 0.06 1.83 -1.36 -6.03 1.01 0.17 -1.79 120.40 114.27 1kfy s VAL 69 Ca 0.09 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 1kfy s VAL 69 Cb -0.11 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1kfy s VAL 69 CO -0.01 0.07 0.59 0.59 0.00 0.00 0.00 175.10 176.34 1kfy n ASN 70 N 4.59 -0.99 0.00 3.32 4.13 -0.29 -0.97 115.26 125.05 1kfy n ASN 70 Ca -0.14 -0.90 0.00 0.00 1.68 0.00 0.00 54.58 55.22 1kfy n ASN 70 Cb 0.45 -3.61 0.00 0.00 -1.54 0.00 0.00 39.78 35.08 1kfy n ASN 70 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1kfy n ASN 71 N -3.01 -3.71 -4.50 6.41 3.02 -1.26 -4.99 115.26 107.21 1kfy n ASN 71 Ca -0.28 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 53.93 1kfy n ASN 71 Cb 0.67 -2.13 -0.12 0.00 -0.61 0.00 0.00 39.78 37.59 1kfy n ASN 71 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kfy s VAL 72 N -1.58 3.88 -0.08 2.41 1.01 -0.15 -5.07 120.40 120.83 1kfy s VAL 72 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1kfy s VAL 72 Cb 0.00 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1kfy s VAL 72 CO 0.00 0.50 1.40 -2.84 0.00 0.00 0.00 175.10 174.16 1kfy s PRO 73 N 0.31 4.24 0.26 2.72 0.02 -1.26 0.41 135.00 141.70 1kfy s PRO 73 Ca -0.04 1.89 -0.08 0.00 0.02 0.00 0.00 61.00 62.80 1kfy s PRO 73 Cb -0.14 -3.75 -0.01 0.00 0.02 0.00 0.00 34.50 30.62 1kfy s PRO 73 CO 0.03 -0.68 0.40 0.15 -0.33 0.00 0.00 177.00 176.57 1kfy s LYS 74 N 3.21 1.57 -0.26 5.54 1.02 0.82 -4.93 119.74 126.70 1kfy s LYS 74 Ca 0.62 -1.46 -0.12 0.00 0.02 0.00 0.00 55.97 55.03 1kfy s LYS 74 Cb -0.28 0.42 -0.05 0.00 -0.52 0.00 0.00 37.83 37.40 1kfy s LYS 74 CO 0.23 -0.63 0.22 -0.51 -0.92 0.00 0.00 175.35 173.74 1kfy s LEU 75 N -3.10 4.06 0.35 3.17 1.43 -1.26 -1.49 118.68 121.84 1kfy s LEU 75 Ca 0.28 0.11 0.10 0.00 -1.03 0.00 0.00 54.13 53.59 1kfy s LEU 75 Cb 0.01 -2.19 0.84 0.00 0.03 0.00 0.00 46.19 44.88 1kfy s LEU 75 CO 0.13 -0.04 1.83 0.00 0.23 0.00 0.00 176.35 178.50 1kfy h ALA 76 N 7.99 1.86 0.00 4.21 0.00 -1.89 0.20 119.26 131.63 1kfy h ALA 76 Ca -0.35 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1kfy h ALA 76 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1kfy h ALA 76 CO 0.61 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1kfy n LYS 78 N -1.19 0.99 -4.76 0.00 4.81 0.66 -4.75 118.16 113.91 1kfy n LYS 78 Ca 0.14 -2.36 -0.33 0.00 -0.87 0.00 0.00 58.31 54.90 1kfy n LYS 78 Cb 0.16 -1.22 -0.16 0.00 0.02 0.00 0.00 35.03 33.83 1kfy n LYS 78 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1kfy s THR 79 N -2.17 2.40 -0.11 3.15 2.01 -0.93 -4.84 115.64 115.15 1kfy s THR 79 Ca 0.27 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1kfy s THR 79 Cb 0.25 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.78 1kfy s THR 79 CO -0.01 0.54 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.87 1kfy s PHE 80 N 0.65 2.61 0.57 4.92 0.40 -1.26 0.56 117.98 126.42 1kfy s PHE 80 Ca -0.10 -1.08 0.30 0.00 -0.60 0.00 0.00 56.93 55.46 1kfy s PHE 80 Cb -0.16 -1.75 1.45 0.00 0.51 0.00 0.00 43.02 43.07 1kfy s PHE 80 CO 0.02 -0.45 1.85 -0.07 0.70 0.00 0.00 175.22 177.28 1kfy h LEU 81 N 6.86 0.00 -1.99 -0.37 4.07 -1.76 -1.25 115.31 120.87 1kfy h LEU 81 Ca -0.23 0.00 0.38 0.00 0.08 0.00 0.00 57.88 58.11 1kfy h LEU 81 Cb 1.23 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.91 1kfy h LEU 81 CO 0.50 0.00 0.94 0.08 -1.08 0.00 0.00 178.44 178.88 1kfy h ARG 82 N 0.00 0.01 -0.04 1.13 0.11 -1.79 0.20 114.38 113.99 1kfy h ARG 82 Ca 0.32 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 1kfy h ARG 82 Cb 1.53 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.61 1kfy h ARG 82 CO -0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 1kfy n ASP 83 N -4.15 2.43 -0.91 0.08 8.00 -0.47 -4.36 116.55 117.16 1kfy n ASP 83 Ca 0.29 -1.81 -0.01 0.00 0.71 0.00 0.00 54.79 53.97 1kfy n ASP 83 Cb 1.37 -0.01 0.17 0.00 -0.02 0.00 0.00 41.12 42.63 1kfy n ASP 83 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1kfy n TYR 84 N 0.90 0.61 -0.11 1.24 4.02 0.69 -4.79 117.16 119.71 1kfy n TYR 84 Ca 0.16 -1.66 0.25 0.00 -0.01 0.00 0.00 57.90 56.64 1kfy n TYR 84 Cb 0.50 -0.27 0.70 0.00 -0.02 0.00 0.00 39.34 40.25 1kfy n TYR 84 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1kfy h THR 85 N 1.26 0.63 -0.35 -0.72 1.35 -1.76 -1.15 112.91 112.16 1kfy h THR 85 Ca 0.08 -0.01 -0.03 0.00 -0.55 0.00 0.00 66.41 65.91 1kfy h THR 85 Cb 1.12 0.61 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 1kfy h THR 85 CO 0.17 0.00 0.04 0.47 -0.25 0.00 0.00 175.52 175.95 1kfy n ASP 86 N -4.32 3.70 0.00 5.36 10.43 -1.26 -4.97 116.55 125.49 1kfy n ASP 86 Ca 0.15 -2.57 0.00 0.00 2.57 0.00 0.00 54.79 54.94 1kfy n ASP 86 Cb 0.81 -0.62 0.00 0.00 1.84 0.00 0.00 41.12 43.15 1kfy n ASP 86 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1kfy n GLY 87 N 0.28 3.27 2.86 0.44 0.00 -0.44 -5.12 105.19 106.49 1kfy n GLY 87 Ca 0.18 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.47 1kfy n GLY 87 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1kfy s MET 88 N -4.87 0.05 -0.24 1.61 1.75 -1.26 -4.79 119.30 111.55 1kfy s MET 88 Ca 0.00 0.58 -0.00 0.00 -1.25 0.00 0.00 55.69 55.02 1kfy s MET 88 Cb 0.00 -0.24 0.03 0.00 2.84 0.00 0.00 34.83 37.47 1kfy s MET 88 CO 0.00 -0.30 -0.10 0.21 -0.65 0.00 0.00 175.02 174.19 1kfy s LYS 89 N 2.26 2.70 -0.18 4.11 2.20 -1.26 -0.68 119.74 128.89 1kfy s LYS 89 Ca 0.02 -1.06 -0.05 0.00 -0.36 0.00 0.00 55.97 54.52 1kfy s LYS 89 Cb -0.12 -2.89 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 1kfy s LYS 89 CO -0.06 -0.42 0.01 0.08 -0.36 0.00 0.00 175.35 174.60 1kfy s VAL 90 N 1.26 4.19 0.17 4.02 1.01 0.17 -1.14 120.40 130.08 1kfy s VAL 90 Ca -0.01 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1kfy s VAL 90 Cb -0.17 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1kfy s VAL 90 CO -0.06 0.46 -0.04 -1.61 0.00 0.00 0.00 175.10 173.85 1kfy s GLU 91 N 0.61 1.14 0.51 2.72 2.02 -0.74 -0.60 118.70 124.36 1kfy s GLU 91 Ca -0.00 -1.53 -0.22 0.00 0.02 0.00 0.00 54.97 53.24 1kfy s GLU 91 Cb -0.14 -0.49 -0.06 0.00 0.10 0.00 0.00 34.13 33.54 1kfy s GLU 91 CO 0.02 -0.04 1.22 0.00 0.02 0.00 0.00 175.26 176.48 1kfy s ALA 92 N -3.47 2.84 -0.45 5.21 0.00 -1.26 -0.90 121.76 123.73 1kfy s ALA 92 Ca 0.22 1.03 -0.44 0.00 0.00 0.00 0.00 51.96 52.77 1kfy s ALA 92 Cb 0.05 -3.44 -0.18 0.00 0.00 0.00 0.00 23.12 19.55 1kfy s ALA 92 CO 0.03 -0.93 1.83 -0.11 0.00 0.00 0.00 175.76 176.59 1kfy n LEU 93 N -0.88 1.36 -4.57 0.00 7.94 -1.26 -4.49 117.00 115.11 1kfy n LEU 93 Ca 0.09 0.96 -0.32 0.00 -1.11 0.00 0.00 56.01 55.63 1kfy n LEU 93 Cb 0.48 -0.96 0.14 0.00 0.53 0.00 0.00 43.42 43.60 1kfy n LEU 93 CO 0.48 -0.73 0.40 0.00 -1.11 0.00 0.00 177.39 176.42 1kfy n ALA 94 N 5.72 -1.32 -2.24 1.96 0.00 -1.26 -3.51 120.51 119.86 1kfy n ALA 94 Ca 0.38 -0.51 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 1kfy n ALA 94 Cb 0.00 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.38 1kfy n ALA 94 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kfy n ASN 95 N -2.83 -5.28 -3.90 0.00 5.03 -1.26 -4.12 115.26 102.90 1kfy n ASN 95 Ca 0.10 0.04 -0.12 0.00 0.87 0.00 0.00 54.58 55.48 1kfy n ASN 95 Cb 0.52 -4.35 -0.13 0.00 -1.02 0.00 0.00 39.78 34.79 1kfy n ASN 95 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1kfy s PHE 96 N -2.88 0.10 0.08 3.10 0.08 -1.23 -4.94 117.98 112.28 1kfy s PHE 96 Ca 0.00 -0.14 -0.31 0.00 0.12 0.00 0.00 56.93 56.61 1kfy s PHE 96 Cb 0.00 -0.07 -0.07 0.00 -0.57 0.00 0.00 43.02 42.31 1kfy s PHE 96 CO 0.00 -0.05 1.36 -1.25 -0.10 0.00 0.00 175.22 175.19 1kfy s PRO 97 N -0.37 4.33 -0.31 0.24 0.04 -1.26 -4.86 135.00 132.81 1kfy s PRO 97 Ca -0.04 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 1kfy s PRO 97 Cb -0.03 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.16 1kfy s PRO 97 CO -0.00 -0.44 1.39 0.42 0.04 0.00 0.00 177.00 178.41 1kfy s ILE 98 N 1.44 3.99 -0.14 0.56 1.01 -1.26 -1.55 121.20 125.27 1kfy s ILE 98 Ca 0.63 1.10 -0.25 0.00 0.00 0.00 0.00 60.65 62.14 1kfy s ILE 98 Cb -0.34 -4.07 -0.22 0.00 0.01 0.00 0.00 42.46 37.84 1kfy s ILE 98 CO 0.29 -0.49 0.66 -0.33 0.00 0.00 0.00 174.94 175.07 1kfy h GLU 99 N 9.91 0.00 -1.70 2.79 4.39 -1.53 -3.48 114.58 124.96 1kfy h GLU 99 Ca -0.28 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.47 1kfy h GLU 99 Cb 1.11 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.51 1kfy h GLU 99 CO 1.04 0.87 0.33 0.50 -1.16 0.00 0.00 179.01 180.58 1kfy s ARG 100 N -2.13 0.55 0.00 2.33 3.00 -1.02 -4.45 118.95 117.24 1kfy s ARG 100 Ca -0.17 0.76 0.00 0.00 -1.00 0.00 0.00 55.73 55.32 1kfy s ARG 100 Cb -0.03 0.22 0.00 0.00 0.00 0.00 0.00 34.95 35.14 1kfy s ARG 100 CO 0.60 -0.08 0.00 -0.25 0.00 0.00 0.00 175.30 175.56 1kfy n ASP 101 N 2.93 0.00 -1.57 -2.12 10.43 -0.24 0.85 116.55 126.83 1kfy n ASP 101 Ca -0.15 0.00 -0.02 0.00 2.57 0.00 0.00 54.79 57.19 1kfy n ASP 101 Cb 0.57 0.00 0.28 0.00 1.84 0.00 0.00 41.12 43.80 1kfy n ASP 101 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1kfy n LEU 102 N 0.00 5.18 -4.45 0.64 4.77 -1.14 -4.41 117.00 117.59 1kfy n LEU 102 Ca 0.00 -3.27 -0.33 0.00 -0.03 0.00 0.00 56.01 52.38 1kfy n LEU 102 Cb 0.00 -0.68 -0.13 0.00 -2.33 0.00 0.00 43.42 40.28 1kfy n LEU 102 CO 0.00 0.85 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.81 1kfy s VAL 103 N -3.00 3.41 0.25 4.08 1.01 0.25 -4.54 120.40 121.86 1kfy s VAL 103 Ca 0.50 -0.55 0.11 0.00 0.00 0.00 0.00 61.98 62.04 1kfy s VAL 103 Cb 0.41 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1kfy s VAL 103 CO 0.10 0.53 -0.16 0.68 0.00 0.00 0.00 175.10 176.25 1kfy s VAL 104 N 0.06 2.70 -0.40 2.92 -7.23 -1.26 -1.32 120.40 115.86 1kfy s VAL 104 Ca -0.03 -2.19 -0.29 0.00 -1.81 0.00 0.00 61.98 57.66 1kfy s VAL 104 Cb -0.14 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.42 1kfy s VAL 104 CO 0.04 -0.32 1.30 -0.62 -0.31 0.00 0.00 175.10 175.18 1kfy s ASP 105 N -3.33 6.51 0.00 4.85 2.15 -0.59 -4.84 116.67 121.41 1kfy s ASP 105 Ca 0.28 0.81 0.16 0.00 0.43 0.00 0.00 52.55 54.23 1kfy s ASP 105 Cb -0.06 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.47 1kfy s ASP 105 CO 0.15 -1.29 1.37 0.23 -0.17 0.00 0.00 175.17 175.47 1kfy n MET 106 N 7.81 2.07 -0.12 4.34 2.81 -1.26 -4.52 117.12 128.25 1kfy n MET 106 Ca 0.15 -1.65 -0.05 0.00 -1.81 0.00 0.00 57.70 54.33 1kfy n MET 106 Cb 0.48 -1.38 0.01 0.00 -0.71 0.00 0.00 33.22 31.63 1kfy n MET 106 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1kfy h THR 107 N 2.79 0.60 -0.83 2.03 2.02 -2.00 -1.58 112.91 115.94 1kfy h THR 107 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1kfy h THR 107 Cb 0.63 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 1kfy h THR 107 CO 0.00 0.00 0.49 -0.74 0.37 0.00 0.00 175.52 175.64 1kfy h HIS 108 N -0.00 0.91 0.42 3.16 2.76 -1.99 -0.71 115.15 119.69 1kfy h HIS 108 Ca 0.19 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1kfy h HIS 108 Cb 0.29 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1kfy h HIS 108 CO -0.36 0.43 -0.30 0.35 -1.30 0.00 0.00 177.93 176.75 1kfy h PHE 109 N 0.88 -0.80 -0.18 5.26 3.57 -1.64 0.18 116.94 124.20 1kfy h PHE 109 Ca 0.38 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.92 1kfy h PHE 109 Cb 0.24 0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 1kfy h PHE 109 CO -0.05 -0.45 -0.18 0.82 -2.23 0.00 0.00 178.31 176.22 1kfy h ILE 110 N -0.71 0.52 -0.34 1.41 1.08 -0.87 0.49 117.51 119.09 1kfy h ILE 110 Ca -0.04 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1kfy h ILE 110 Cb 0.60 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 34.84 1kfy h ILE 110 CO 0.01 0.00 0.13 -0.33 -0.69 0.00 0.00 178.15 177.28 1kfy h GLU 111 N -0.20 0.28 -0.45 2.37 5.08 -0.99 0.46 114.58 121.12 1kfy h GLU 111 Ca 0.11 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 1kfy h GLU 111 Cb 0.37 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1kfy h GLU 111 CO -0.30 0.18 0.11 0.77 -1.00 0.00 0.00 179.01 178.78 1kfy h SER 112 N 0.29 0.05 -0.02 1.42 0.02 -0.00 0.77 113.55 116.08 1kfy h SER 112 Ca 0.15 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1kfy h SER 112 Cb 0.11 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1kfy h SER 112 CO -0.14 0.06 -0.03 0.25 -1.14 0.00 0.00 176.83 175.83 1kfy h LEU 113 N 0.25 -0.08 0.35 5.07 5.85 0.13 -2.87 115.31 124.00 1kfy h LEU 113 Ca 0.22 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1kfy h LEU 113 Cb 0.26 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1kfy h LEU 113 CO -0.27 -0.04 -0.17 -0.33 -0.34 0.00 0.00 178.44 177.29 1kfy h GLU 114 N -0.04 -0.45 -1.28 1.25 5.08 0.55 -3.10 114.58 116.59 1kfy h GLU 114 Ca 0.02 0.03 0.40 0.00 -1.00 0.00 0.00 59.36 58.81 1kfy h GLU 114 Cb 0.07 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.33 1kfy h GLU 114 CO -0.04 -0.26 0.87 0.00 -1.00 0.00 0.00 179.01 178.58 1kfy n ALA 115 N -2.33 1.24 1.53 3.43 0.00 0.26 0.21 120.51 124.86 1kfy n ALA 115 Ca -0.10 0.60 0.14 0.00 0.00 0.00 0.00 53.44 54.08 1kfy n ALA 115 Cb 0.22 -0.85 0.56 0.00 0.00 0.00 0.00 19.45 19.38 1kfy n ALA 115 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1kfy n ILE 116 N -3.92 0.03 -3.21 0.00 2.08 -1.17 -4.97 119.36 108.20 1kfy n ILE 116 Ca 0.33 -0.23 -0.06 0.00 0.56 0.00 0.00 62.75 63.35 1kfy n ILE 116 Cb 1.37 0.35 0.01 0.00 -0.75 0.00 0.00 39.64 40.63 1kfy n ILE 116 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1kfy n LYS 117 N 0.04 -1.42 -2.66 0.38 5.02 0.57 -4.68 118.16 115.41 1kfy n LYS 117 Ca 0.19 1.30 -0.42 0.00 -2.02 0.00 0.00 58.31 57.36 1kfy n LYS 117 Cb 0.32 -5.16 -0.03 0.00 -0.02 0.00 0.00 35.03 30.14 1kfy n LYS 117 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1kfy s PRO 118 N -3.52 3.37 0.00 1.97 0.04 -1.26 -4.90 135.00 130.69 1kfy s PRO 118 Ca 0.05 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.25 1kfy s PRO 118 Cb -0.01 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 29.84 1kfy s PRO 118 CO 0.78 -2.06 0.00 2.48 0.04 0.00 0.00 177.00 178.23 1kfy n TYR 119 N 8.55 0.00 -2.03 0.56 0.18 -1.26 -5.11 117.16 118.06 1kfy n TYR 119 Ca 0.15 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.59 1kfy n TYR 119 Cb 0.49 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.47 1kfy n TYR 119 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1kfy s ILE 120 N -2.00 3.16 -0.23 -3.48 -1.09 -1.26 -4.97 121.20 111.33 1kfy s ILE 120 Ca 0.00 0.64 -0.07 0.00 -2.23 0.00 0.00 60.65 59.00 1kfy s ILE 120 Cb 0.00 -3.20 0.11 0.00 -1.58 0.00 0.00 42.46 37.79 1kfy s ILE 120 CO 0.00 -0.24 0.47 -0.63 -1.23 0.00 0.00 174.94 173.32 1kfy s ILE 121 N -2.01 -0.74 0.00 2.92 1.01 -1.26 -4.96 121.20 116.16 1kfy s ILE 121 Ca 0.70 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.45 1kfy s ILE 121 Cb -0.23 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1kfy s ILE 121 CO 0.34 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1kfy n GLY 122 N 5.40 2.11 3.44 6.18 0.00 -1.26 -0.85 105.19 120.20 1kfy n GLY 122 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 1kfy n GLY 122 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kfy s ASN 123 N -1.70 6.20 0.42 1.61 3.84 -1.26 -4.87 114.94 119.18 1kfy s ASN 123 Ca 0.00 -0.99 0.23 0.00 0.21 0.00 0.00 52.86 52.31 1kfy s ASN 123 Cb 0.00 -2.25 0.66 0.00 -0.55 0.00 0.00 41.25 39.11 1kfy s ASN 123 CO 0.00 -0.78 1.71 0.77 -2.79 0.00 0.00 177.10 176.02 1kfy h SER 124 N 8.89 0.00 -0.88 -4.21 4.64 -1.97 -3.46 113.55 116.55 1kfy h SER 124 Ca -0.28 0.00 -0.77 0.00 -0.47 0.00 0.00 61.79 60.27 1kfy h SER 124 Cb 1.10 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1kfy h SER 124 CO 0.92 0.20 0.56 -1.14 -0.87 0.00 0.00 176.83 176.50 1kfy n ARG 125 N -3.24 0.00 -1.81 4.77 0.63 -1.26 -4.93 116.66 110.82 1kfy n ARG 125 Ca 0.02 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.65 1kfy n ARG 125 Cb 0.50 -1.32 0.11 0.00 0.45 0.00 0.00 32.46 32.20 1kfy n ARG 125 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1kfy s THR 126 N 2.43 1.99 0.07 5.15 -4.23 -1.26 -5.00 115.64 114.79 1kfy s THR 126 Ca 0.92 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 61.17 1kfy s THR 126 Cb -1.31 -2.94 -0.17 0.00 1.34 0.00 0.00 72.50 69.43 1kfy s THR 126 CO 0.71 0.00 1.63 0.00 -0.54 0.00 0.00 174.62 176.41 1kfy h ALA 127 N -1.25 -0.26 0.00 3.99 0.00 -1.91 -3.18 119.26 116.65 1kfy h ALA 127 Ca -0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1kfy h ALA 127 Cb 1.32 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1kfy h ALA 127 CO 0.61 -0.61 0.00 -0.40 0.00 0.00 0.00 179.25 178.85 1kfy n ASP 128 N -5.17 0.00 -0.05 0.00 5.75 -1.26 -1.92 116.55 113.90 1kfy n ASP 128 Ca -0.09 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.69 1kfy n ASP 128 Cb 0.15 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.10 1kfy n ASP 128 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kfy n GLN 129 N -0.61 0.86 0.00 0.11 6.02 -1.20 -5.11 117.38 117.45 1kfy n GLN 129 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1kfy n GLN 129 Cb 0.00 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 29.80 1kfy n GLN 129 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kfy n GLY 130 N 1.68 0.40 3.56 1.08 0.00 -0.81 -5.06 105.19 106.05 1kfy n GLY 130 Ca -0.17 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 1kfy n GLY 130 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kfy s THR 131 N -0.45 3.42 0.17 2.61 -4.23 -1.26 -4.86 115.64 111.04 1kfy s THR 131 Ca 0.00 -0.85 -0.33 0.00 -1.18 0.00 0.00 61.69 59.33 1kfy s THR 131 Cb 0.00 -2.47 -0.13 0.00 1.34 0.00 0.00 72.50 71.24 1kfy s THR 131 CO 0.00 0.40 1.62 0.59 -0.54 0.00 0.00 174.62 176.69 1kfy n ASN 132 N 1.64 3.32 -4.55 3.99 3.02 -1.26 -4.87 115.26 116.55 1kfy n ASN 132 Ca -0.16 1.08 -0.40 0.00 -0.03 0.00 0.00 54.58 55.07 1kfy n ASN 132 Cb 0.52 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.20 1kfy n ASN 132 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kfy s ILE 133 N 1.03 3.64 -0.36 2.41 -1.09 -1.26 -4.95 121.20 120.62 1kfy s ILE 133 Ca 0.78 0.25 -0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1kfy s ILE 133 Cb -0.64 -4.67 0.09 0.00 -1.58 0.00 0.00 42.46 35.66 1kfy s ILE 133 CO 0.37 -1.62 0.10 -1.58 -1.23 0.00 0.00 174.94 170.97 1kfy s GLN 134 N 6.03 1.94 0.77 2.79 0.74 -1.26 -5.11 119.66 125.55 1kfy s GLN 134 Ca 0.44 -1.70 -0.15 0.00 0.05 0.00 0.00 55.36 54.01 1kfy s GLN 134 Cb -0.08 -3.34 0.03 0.00 1.10 0.00 0.00 33.01 30.71 1kfy s GLN 134 CO 0.14 -0.91 0.94 2.41 -0.55 0.00 0.00 175.29 177.32 1kfy n THR 135 N 4.48 2.19 -0.12 -0.34 -1.04 -1.26 -4.82 114.28 113.37 1kfy n THR 135 Ca -0.03 -0.30 -0.02 0.00 -2.04 0.00 0.00 64.05 61.65 1kfy n THR 135 Cb 0.42 -1.05 0.21 0.00 -1.82 0.00 0.00 70.33 68.10 1kfy n THR 135 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1kfy h PRO 136 N -0.60 0.80 -0.30 -2.82 0.13 -1.99 -1.50 132.00 125.73 1kfy h PRO 136 Ca -0.46 -0.15 0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1kfy h PRO 136 Cb 1.32 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1kfy h PRO 136 CO 0.45 0.71 0.21 0.00 -0.23 0.00 0.00 178.00 179.13 1kfy h ALA 137 N 1.39 2.12 0.07 -0.56 0.00 -2.00 0.82 119.26 121.09 1kfy h ALA 137 Ca 0.18 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.80 1kfy h ALA 137 Cb 0.25 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.04 1kfy h ALA 137 CO -0.01 -0.19 -1.14 1.96 0.00 0.00 0.00 179.25 179.87 1kfy h GLN 138 N 0.12 0.66 -0.63 0.00 4.20 -1.63 -3.26 115.11 114.57 1kfy h GLN 138 Ca 0.14 -0.80 -0.06 0.00 0.06 0.00 0.00 58.65 57.99 1kfy h GLN 138 Cb 0.38 0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1kfy h GLN 138 CO -0.02 1.35 0.15 0.52 -0.67 0.00 0.00 178.83 180.17 1kfy h MET 139 N 0.32 0.98 -0.78 1.46 2.86 -0.75 -2.62 114.93 116.39 1kfy h MET 139 Ca -0.16 -0.22 0.23 0.00 -2.06 0.00 0.00 59.70 57.49 1kfy h MET 139 Cb 1.81 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 33.30 1kfy h MET 139 CO 0.22 0.87 0.60 0.00 1.06 0.00 0.00 176.91 179.66 1kfy h ALA 140 N 1.23 2.69 -0.53 6.32 0.00 -0.93 0.95 119.26 128.98 1kfy h ALA 140 Ca 0.20 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1kfy h ALA 140 Cb 0.33 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1kfy h ALA 140 CO -0.00 -1.00 0.35 0.87 0.00 0.00 0.00 179.25 179.47 1kfy h LYS 141 N 0.00 0.57 0.00 0.00 1.79 -1.59 -3.30 116.57 114.03 1kfy h LYS 141 Ca 0.37 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1kfy h LYS 141 Cb 1.57 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.09 1kfy h LYS 141 CO -0.00 0.37 -0.12 2.48 -1.08 0.00 0.00 179.45 181.10 1kfy n TYR 142 N -4.47 0.00 -0.10 -1.35 0.18 -0.66 -4.89 117.16 105.87 1kfy n TYR 142 Ca 0.06 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.82 1kfy n TYR 142 Cb 0.16 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.09 1kfy n TYR 142 CO 0.00 0.00 0.00 1.58 -2.08 0.00 0.00 176.86 176.36 1kfy n HIS 143 N -0.76 -0.11 -0.32 -3.48 -0.00 0.24 -0.61 115.22 110.18 1kfy n HIS 143 Ca 0.00 0.30 0.21 0.00 0.46 0.00 0.00 57.72 58.69 1kfy n HIS 143 Cb 0.00 -0.52 0.42 0.00 -0.12 0.00 0.00 29.99 29.77 1kfy n HIS 143 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 1kfy h GLN 144 N 0.00 0.27 0.00 1.57 4.15 -1.86 0.53 115.11 119.78 1kfy h GLN 144 Ca 0.04 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1kfy h GLN 144 Cb 0.10 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1kfy h GLN 144 CO -0.23 0.18 0.00 1.19 -1.93 0.00 0.00 178.83 178.04 1kfy n PHE 145 N -5.11 0.00 1.17 3.99 3.72 0.22 -2.72 117.46 118.73 1kfy n PHE 145 Ca 0.29 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.81 1kfy n PHE 145 Cb 0.90 -0.22 0.25 0.00 -0.94 0.00 0.00 39.48 39.47 1kfy n PHE 145 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1kfy n SER 146 N -1.22 1.57 -0.41 4.37 3.41 0.19 -4.29 113.62 117.23 1kfy n SER 146 Ca 0.11 -1.26 0.01 0.00 -0.26 0.00 0.00 58.87 57.47 1kfy n SER 146 Cb 0.14 0.22 0.04 0.00 -0.26 0.00 0.00 64.21 64.35 1kfy n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kfy n GLY 147 N 1.35 0.59 3.69 5.00 0.00 -1.10 -4.89 105.19 109.83 1kfy n GLY 147 Ca 0.12 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1kfy n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfy n ILE 149 N 4.39 1.43 -2.84 0.00 -5.35 -1.26 -4.91 119.36 110.81 1kfy n ILE 149 Ca 0.09 -0.88 -0.22 0.00 -0.27 0.00 0.00 62.75 61.48 1kfy n ILE 149 Cb 0.47 -0.04 0.02 0.00 -1.74 0.00 0.00 39.64 38.35 1kfy n ILE 149 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1kfy n ASN 150 N 0.72 -5.82 -0.06 7.28 3.02 -1.26 -4.28 115.26 114.86 1kfy n ASN 150 Ca 0.19 -0.20 -0.07 0.00 -0.03 0.00 0.00 54.58 54.47 1kfy n ASN 150 Cb 0.72 -4.76 -0.01 0.00 -0.61 0.00 0.00 39.78 35.13 1kfy n ASN 150 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kfy n GLY 152 N -1.31 0.68 0.17 0.00 0.00 -1.26 -4.62 105.19 98.84 1kfy n GLY 152 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 1kfy n GLY 152 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kfy h LEU 153 N 0.00 0.19 -0.95 0.99 3.38 -1.95 -2.89 115.31 114.07 1kfy h LEU 153 Ca 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1kfy h LEU 153 Cb 0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1kfy h LEU 153 CO 0.00 0.68 0.34 0.00 0.09 0.00 0.00 178.44 179.55 1kfy h TYR 155 N 1.09 0.00 0.00 0.00 -1.99 -1.89 -0.15 116.97 114.02 1kfy h TYR 155 Ca 0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.99 1kfy h TYR 155 Cb 0.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.87 1kfy h TYR 155 CO 0.01 0.39 -0.25 0.00 -0.00 0.00 0.00 178.16 178.31 1kfy n ALA 156 N -2.43 2.67 -0.03 3.88 0.00 -0.54 -3.56 120.51 120.50 1kfy n ALA 156 Ca -0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 1kfy n ALA 156 Cb 0.43 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 1kfy n ALA 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kfy n ALA 157 N -1.68 1.43 -2.09 0.00 0.00 -0.50 -4.78 120.51 112.89 1kfy n ALA 157 Ca 0.05 -0.83 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 1kfy n ALA 157 Cb 0.40 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 1kfy n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kfy h PRO 159 N 9.23 0.65 -0.99 0.00 0.11 -1.91 -2.91 132.00 136.18 1kfy h PRO 159 Ca -0.37 -0.57 0.08 0.00 0.11 0.00 0.00 66.00 65.25 1kfy h PRO 159 Cb 1.16 0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.34 1kfy h PRO 159 CO 0.96 1.19 0.64 1.96 -0.21 0.00 0.00 178.00 182.53 1kfy h GLN 160 N 0.42 1.09 -0.27 1.05 1.08 -1.91 -1.04 115.11 115.53 1kfy h GLN 160 Ca -0.06 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.03 1kfy h GLN 160 Cb 1.46 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 1kfy h GLN 160 CO 0.16 0.72 -0.01 0.35 -0.95 0.00 0.00 178.83 179.10 1kfy h PHE 161 N 1.12 0.52 0.00 2.96 3.57 -1.78 0.34 116.94 123.68 1kfy h PHE 161 Ca 0.44 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 1kfy h PHE 161 Cb 0.24 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1kfy h PHE 161 CO -0.00 0.64 -0.03 0.78 -2.23 0.00 0.00 178.31 177.47 1kfy h GLY 162 N 0.25 0.00 0.70 2.40 0.00 -1.16 -2.27 103.07 102.99 1kfy h GLY 162 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.06 1kfy h GLY 162 CO 0.02 0.00 -1.93 1.04 0.00 0.00 0.00 176.54 175.67 1kfy n LEU 163 N -3.48 2.12 -3.75 3.11 4.77 -0.47 -4.70 117.00 114.60 1kfy n LEU 163 Ca -0.02 0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 55.93 1kfy n LEU 163 Cb 0.13 -0.73 -0.12 0.00 -2.33 0.00 0.00 43.42 40.37 1kfy n LEU 163 CO 0.26 0.72 -0.19 0.21 -1.33 0.00 0.00 177.39 177.06 1kfy s ASN 164 N -6.75 3.72 0.00 -1.43 2.47 0.12 -4.97 114.94 108.09 1kfy s ASN 164 Ca -0.17 -3.12 0.00 0.00 0.42 0.00 0.00 52.86 49.98 1kfy s ASN 164 Cb 0.07 -1.19 0.00 0.00 -1.45 0.00 0.00 41.25 38.68 1kfy s ASN 164 CO 0.78 -0.19 0.62 -2.65 -3.72 0.00 0.00 177.10 171.95 1kfy n PRO 165 N 2.89 0.00 0.00 0.43 -0.02 -1.04 -0.89 135.00 136.38 1kfy n PRO 165 Ca 0.15 0.14 0.11 0.00 -2.02 0.00 0.00 63.50 61.88 1kfy n PRO 165 Cb 0.37 -1.51 0.07 0.00 -0.02 0.00 0.00 33.50 32.41 1kfy n PRO 165 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1kfy n GLU 166 N -1.12 0.30 -1.72 -0.52 1.02 -1.26 -4.90 120.64 112.44 1kfy n GLU 166 Ca 0.00 -0.22 -0.42 0.00 -0.02 0.00 0.00 57.16 56.50 1kfy n GLU 166 Cb 0.01 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 1kfy n GLU 166 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1kfy s PHE 167 N -2.85 2.68 0.48 -0.32 5.36 -0.06 -4.80 117.98 118.46 1kfy s PHE 167 Ca 0.13 0.23 0.27 0.00 -0.96 0.00 0.00 56.93 56.59 1kfy s PHE 167 Cb 0.17 -4.16 1.54 0.00 -0.34 0.00 0.00 43.02 40.23 1kfy s PHE 167 CO 0.73 -4.50 2.13 -0.84 -1.46 0.00 0.00 175.22 171.28 1kfy h ILE 168 N 4.06 0.61 0.00 3.12 3.07 -0.74 -3.49 117.51 124.14 1kfy h ILE 168 Ca -0.44 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 65.63 1kfy h ILE 168 Cb 1.21 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 38.97 1kfy h ILE 168 CO 0.96 0.08 0.00 0.61 -1.05 0.00 0.00 178.15 178.75 1kfy n GLY 169 N -0.96 2.46 0.35 0.16 0.00 -1.26 -4.45 105.19 101.50 1kfy n GLY 169 Ca -0.02 -1.84 -0.17 0.00 0.00 0.00 0.00 46.02 43.99 1kfy n GLY 169 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kfy h PRO 170 N 0.00 -0.83 -0.27 1.61 0.13 -1.93 -1.65 132.00 129.07 1kfy h PRO 170 Ca 0.00 0.06 0.05 0.00 -0.87 0.00 0.00 66.00 65.23 1kfy h PRO 170 Cb 0.00 0.19 -0.08 0.00 0.13 0.00 0.00 31.00 31.24 1kfy h PRO 170 CO 0.00 -0.53 -0.51 0.00 -0.23 0.00 0.00 178.00 176.73 1kfy h ALA 171 N -0.60 -0.73 -0.58 -0.56 0.00 -1.96 0.92 119.26 115.75 1kfy h ALA 171 Ca -0.09 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.91 1kfy h ALA 171 Cb 0.68 0.99 -0.11 0.00 0.00 0.00 0.00 17.79 19.35 1kfy h ALA 171 CO 0.14 -1.01 -0.35 0.00 0.00 0.00 0.00 179.25 178.03 1kfy h ALA 172 N -0.02 -0.10 -0.91 0.00 0.00 -1.77 0.41 119.26 116.88 1kfy h ALA 172 Ca 0.07 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1kfy h ALA 172 Cb 0.63 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1kfy h ALA 172 CO -0.51 -0.70 0.51 0.82 0.00 0.00 0.00 179.25 179.37 1kfy h ILE 173 N -0.18 1.26 -0.12 0.00 2.04 -0.29 -0.81 117.51 119.42 1kfy h ILE 173 Ca 0.22 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1kfy h ILE 173 Cb 0.55 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1kfy h ILE 173 CO -0.68 0.29 0.07 0.74 0.00 0.00 0.00 178.15 178.58 1kfy h THR 174 N 1.28 1.02 -0.49 -0.27 2.02 0.13 0.23 112.91 116.84 1kfy h THR 174 Ca 0.32 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.51 1kfy h THR 174 Cb 0.02 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 1kfy h THR 174 CO -0.05 0.03 0.21 0.25 0.37 0.00 0.00 175.52 176.32 1kfy h LEU 175 N 0.15 0.27 -0.41 2.58 5.85 0.17 0.56 115.31 124.48 1kfy h LEU 175 Ca 0.04 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1kfy h LEU 175 Cb -0.01 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1kfy h LEU 175 CO -0.02 0.19 0.14 0.00 -0.34 0.00 0.00 178.44 178.41 1kfy h ALA 176 N 1.29 0.48 -0.97 1.25 0.00 -0.37 -1.13 119.26 119.81 1kfy h ALA 176 Ca 0.22 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1kfy h ALA 176 Cb 0.19 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1kfy h ALA 176 CO -0.19 -0.25 0.64 1.25 0.00 0.00 0.00 179.25 180.70 1kfy h HIS 177 N 0.30 1.21 -0.64 0.00 -0.00 0.62 -0.84 115.15 115.80 1kfy h HIS 177 Ca 0.19 0.03 0.12 0.00 -0.00 0.00 0.00 60.37 60.70 1kfy h HIS 177 Cb 0.17 -0.41 -0.09 0.00 -0.00 0.00 0.00 27.41 27.09 1kfy h HIS 177 CO -0.15 0.74 0.18 -0.09 -0.00 0.00 0.00 177.93 178.61 1kfy h ARG 178 N 1.29 0.31 0.20 5.26 1.12 0.13 -0.52 114.38 122.17 1kfy h ARG 178 Ca 0.36 -0.02 -0.31 0.00 -1.11 0.00 0.00 59.98 58.91 1kfy h ARG 178 Cb -0.11 -0.07 0.02 0.00 -0.01 0.00 0.00 29.97 29.80 1kfy h ARG 178 CO -0.09 0.21 -1.37 1.88 -3.11 0.00 0.00 179.97 177.49 1kfy h TYR 179 N 0.32 0.77 -0.55 2.20 0.05 -0.97 -2.97 116.97 115.82 1kfy h TYR 179 Ca 0.34 -0.56 0.00 0.00 0.05 0.00 0.00 58.73 58.56 1kfy h TYR 179 Cb 0.49 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 1kfy h TYR 179 CO -0.22 1.43 0.36 -0.91 -1.05 0.00 0.00 178.16 177.78 1kfy h ASN 180 N 0.12 0.64 1.15 3.88 2.35 -0.73 -1.82 115.58 121.16 1kfy h ASN 180 Ca -0.20 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1kfy h ASN 180 Cb 2.08 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 40.29 1kfy h ASN 180 CO 0.24 0.46 0.00 -0.62 -1.65 0.00 0.00 177.43 175.87 1kfy n GLU 181 N -4.45 0.15 -2.61 0.81 -0.58 -0.24 -4.78 120.64 108.94 1kfy n GLU 181 Ca 0.05 0.17 -0.43 0.00 -0.42 0.00 0.00 57.16 56.53 1kfy n GLU 181 Cb 0.05 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 29.21 1kfy n GLU 181 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1kfy s ASP 182 N -3.86 6.92 0.00 1.62 3.68 -0.69 -4.62 116.67 119.73 1kfy s ASP 182 Ca 0.11 1.13 0.00 0.00 2.13 0.00 0.00 52.55 55.92 1kfy s ASP 182 Cb 0.14 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 39.07 1kfy s ASP 182 CO 0.52 -0.87 0.28 -1.54 0.13 0.00 0.00 175.17 173.69 1kfy n SER 183 N 6.87 0.00 -0.00 -0.34 3.41 -1.26 -0.74 113.62 121.56 1kfy n SER 183 Ca 0.12 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.78 1kfy n SER 183 Cb 0.47 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 1kfy n SER 183 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kfy n ARG 184 N -0.77 3.34 -3.50 4.33 1.74 -1.26 -4.99 116.66 115.55 1kfy n ARG 184 Ca 0.00 -0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1kfy n ARG 184 Cb 0.00 -1.02 -0.05 0.00 -1.02 0.00 0.00 32.46 30.37 1kfy n ARG 184 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1kfy s ASP 185 N -2.06 6.67 -0.14 0.55 -1.08 0.08 -4.51 116.67 116.17 1kfy s ASP 185 Ca 0.04 0.87 0.23 0.00 -0.52 0.00 0.00 52.55 53.16 1kfy s ASP 185 Cb 0.08 -2.20 0.45 0.00 -1.46 0.00 0.00 42.92 39.79 1kfy s ASP 185 CO 0.44 0.10 1.15 1.41 0.52 0.00 0.00 175.17 178.79 1kfy n HIS 186 N 0.60 0.53 -2.11 -5.34 8.25 -0.03 -4.88 115.22 112.25 1kfy n HIS 186 Ca -0.05 -1.37 -0.16 0.00 -0.26 0.00 0.00 57.72 55.88 1kfy n HIS 186 Cb 0.52 -0.09 0.05 0.00 1.12 0.00 0.00 29.99 31.59 1kfy n HIS 186 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kfy n GLY 187 N -0.16 5.43 0.24 -1.41 0.00 -0.91 -4.56 105.19 103.82 1kfy n GLY 187 Ca 0.04 -2.23 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 1kfy n GLY 187 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1kfy h LYS 188 N 2.08 -0.39 -0.93 1.61 3.64 -1.89 -2.70 116.57 117.99 1kfy h LYS 188 Ca 0.24 0.03 0.25 0.00 -1.27 0.00 0.00 60.65 59.89 1kfy h LYS 188 Cb 1.45 0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 33.22 1kfy h LYS 188 CO 0.57 -0.26 0.44 0.87 -2.27 0.00 0.00 179.45 178.80 1kfy h LYS 189 N -0.40 0.38 0.00 1.90 6.56 -2.01 0.37 116.57 123.36 1kfy h LYS 189 Ca 0.01 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1kfy h LYS 189 Cb 0.40 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1kfy h LYS 189 CO -0.08 0.25 0.00 0.39 -2.06 0.00 0.00 179.45 177.95 1kfy n GLU 190 N -5.05 0.12 -0.00 3.15 -0.58 -1.02 -3.04 120.64 114.22 1kfy n GLU 190 Ca 0.25 0.08 -0.01 0.00 -0.42 0.00 0.00 57.16 57.06 1kfy n GLU 190 Cb 0.73 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 30.10 1kfy n GLU 190 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1kfy n ARG 191 N -1.10 1.86 -0.24 3.49 1.74 0.10 -4.79 116.66 117.72 1kfy n ARG 191 Ca 0.03 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.02 1kfy n ARG 191 Cb 0.02 -1.02 -0.05 0.00 -1.02 0.00 0.00 32.46 30.39 1kfy n ARG 191 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1kfy h MET 192 N 0.00 -0.20 -0.97 5.56 2.86 -1.43 0.15 114.93 120.91 1kfy h MET 192 Ca -0.02 0.01 0.28 0.00 -2.06 0.00 0.00 59.70 57.91 1kfy h MET 192 Cb 1.04 0.04 -0.18 0.00 0.06 0.00 0.00 31.60 32.56 1kfy h MET 192 CO -0.00 -0.13 0.08 0.00 1.06 0.00 0.00 176.91 177.92 1kfy n ALA 193 N -3.18 0.55 0.09 6.32 0.00 -1.26 0.92 120.51 123.95 1kfy n ALA 193 Ca 0.01 1.03 -0.07 0.00 0.00 0.00 0.00 53.44 54.42 1kfy n ALA 193 Cb 0.34 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 1kfy n ALA 193 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1kfy h GLN 194 N 0.00 0.07 0.01 0.00 1.08 -1.08 -3.19 115.11 112.00 1kfy h GLN 194 Ca 0.61 -0.08 -0.20 0.00 -1.45 0.00 0.00 58.65 57.53 1kfy h GLN 194 Cb 1.32 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.76 1kfy h GLN 194 CO -0.89 0.92 -0.93 -0.07 -0.95 0.00 0.00 178.83 176.90 1kfy h LEU 195 N 0.03 0.10 0.00 1.46 3.38 0.17 -3.17 115.31 117.28 1kfy h LEU 195 Ca -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1kfy h LEU 195 Cb 1.56 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1kfy h LEU 195 CO 0.12 0.97 0.00 0.59 0.09 0.00 0.00 178.44 180.22 1kfy n ASN 196 N -3.51 0.00 -4.81 -0.43 3.02 0.26 -1.16 115.26 108.64 1kfy n ASN 196 Ca -0.02 -0.78 -0.29 0.00 -0.03 0.00 0.00 54.58 53.46 1kfy n ASN 196 Cb 0.86 -0.04 0.10 0.00 -0.61 0.00 0.00 39.78 40.10 1kfy n ASN 196 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1kfy s SER 197 N -2.08 4.21 0.52 6.41 0.15 -1.20 -4.90 113.70 116.81 1kfy s SER 197 Ca 0.41 1.15 0.31 0.00 0.70 0.00 0.00 55.95 58.51 1kfy s SER 197 Cb 0.20 -1.82 1.14 0.00 -1.71 0.00 0.00 66.02 63.83 1kfy s SER 197 CO 0.34 -2.13 1.90 -0.61 1.20 0.00 0.00 173.24 173.95 1kfy h GLN 198 N -1.20 0.00 -0.21 5.44 5.75 -1.89 -1.70 115.11 121.30 1kfy h GLN 198 Ca -0.48 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1kfy h GLN 198 Cb 1.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 1kfy h GLN 198 CO 0.61 0.02 0.00 0.09 -2.65 0.00 0.00 178.83 176.90 1kfy n ASN 199 N -3.12 2.68 -0.18 -0.69 3.02 -1.26 -3.44 115.26 112.28 1kfy n ASN 199 Ca 0.01 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 1kfy n ASN 199 Cb 0.36 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1kfy n ASN 199 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kfy n GLY 200 N 1.34 1.69 0.26 7.41 0.00 -0.64 -0.00 105.19 115.25 1kfy n GLY 200 Ca 0.17 -1.70 0.04 0.00 0.00 0.00 0.00 46.02 44.53 1kfy n GLY 200 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1kfy h VAL 201 N 0.00 0.57 0.00 1.61 -1.51 -1.31 -0.62 116.25 114.98 1kfy h VAL 201 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1kfy h VAL 201 Cb 0.00 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 29.42 1kfy h VAL 201 CO 0.00 0.05 0.00 0.79 -1.23 0.00 0.00 177.57 177.18 1kfy n TRP 202 N -5.13 0.00 1.14 5.19 7.02 -1.26 -1.03 117.44 123.37 1kfy n TRP 202 Ca 0.12 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.73 1kfy n TRP 202 Cb 0.41 0.00 0.20 0.00 -2.42 0.00 0.00 31.31 29.50 1kfy n TRP 202 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1kfy n SER 203 N -0.92 1.55 -4.70 -0.99 2.88 -0.24 -4.88 113.62 106.32 1kfy n SER 203 Ca 0.01 -1.23 -0.38 0.00 -1.33 0.00 0.00 58.87 55.94 1kfy n SER 203 Cb 0.00 0.28 -0.06 0.00 -0.75 0.00 0.00 64.21 63.68 1kfy n SER 203 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kfy n THR 205 N 3.96 2.69 -4.12 0.00 -2.24 -1.26 -4.96 114.28 108.36 1kfy n THR 205 Ca -0.06 -2.30 -0.30 0.00 -2.27 0.00 0.00 64.05 59.11 1kfy n THR 205 Cb 0.51 -0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.36 1kfy n THR 205 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1kfy n PHE 206 N -0.91 -1.61 -0.37 4.78 -0.00 -1.26 -4.82 117.46 113.27 1kfy n PHE 206 Ca 0.37 0.74 0.02 0.00 -0.00 0.00 0.00 57.45 58.59 1kfy n PHE 206 Cb 1.18 -3.29 0.17 0.00 -0.00 0.00 0.00 39.48 37.54 1kfy n PHE 206 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1kfy h VAL 207 N -1.69 1.10 0.00 -2.13 2.07 -2.00 -3.46 116.25 110.14 1kfy h VAL 207 Ca -0.62 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1kfy h VAL 207 Cb 1.38 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1kfy h VAL 207 CO 0.70 0.22 0.00 0.61 0.02 0.00 0.00 177.57 179.11 1kfy n GLY 208 N -1.36 0.82 0.20 2.17 0.00 -1.26 -4.92 105.19 100.83 1kfy n GLY 208 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1kfy n GLY 208 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1kfy h TYR 209 N 0.00 0.00 0.37 1.61 3.20 -1.89 -3.16 116.97 117.11 1kfy h TYR 209 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1kfy h TYR 209 Cb 0.00 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1kfy h TYR 209 CO 0.00 0.33 -0.45 0.00 -1.64 0.00 0.00 178.16 176.40 1kfy h SER 211 N -0.84 0.41 -0.42 0.00 0.02 -1.92 -1.18 113.55 109.62 1kfy h SER 211 Ca -0.04 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1kfy h SER 211 Cb 0.75 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1kfy h SER 211 CO -0.10 0.14 0.16 -0.08 -1.14 0.00 0.00 176.83 175.81 1kfy h GLU 212 N 0.40 0.70 0.00 3.45 4.57 -1.14 -3.13 114.58 119.44 1kfy h GLU 212 Ca 0.51 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1kfy h GLU 212 Cb 1.28 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1kfy h GLU 212 CO -0.21 0.61 -1.12 1.33 -1.18 0.00 0.00 179.01 178.44 1kfy n VAL 213 N -4.33 0.00 -1.60 0.32 0.24 -0.55 -4.94 118.33 107.47 1kfy n VAL 213 Ca 0.04 -0.07 -0.44 0.00 -2.04 0.00 0.00 64.34 61.82 1kfy n VAL 213 Cb 0.18 0.87 -0.04 0.00 -1.47 0.00 0.00 33.84 33.38 1kfy n VAL 213 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kfy n PRO 215 N 8.33 0.02 -0.15 0.00 -0.04 -1.26 -2.13 135.00 139.76 1kfy n PRO 215 Ca 0.29 0.34 0.05 0.00 -0.04 0.00 0.00 63.50 64.14 1kfy n PRO 215 Cb 0.40 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.49 1kfy n PRO 215 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1kfy n LYS 216 N -1.47 2.89 -3.81 0.54 4.76 -1.26 -5.01 118.16 114.80 1kfy n LYS 216 Ca 0.02 -1.99 -0.29 0.00 -2.87 0.00 0.00 58.31 53.18 1kfy n LYS 216 Cb 0.09 -1.25 0.02 0.00 -1.84 0.00 0.00 35.03 32.05 1kfy n LYS 216 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1kfy n HIS 217 N 0.28 -1.78 0.04 2.13 8.25 -0.91 -4.89 115.22 118.35 1kfy n HIS 217 Ca 0.10 0.58 -0.13 0.00 -0.26 0.00 0.00 57.72 58.01 1kfy n HIS 217 Cb 0.41 -3.60 -0.14 0.00 1.12 0.00 0.00 29.99 27.79 1kfy n HIS 217 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1kfy h VAL 218 N -1.90 1.15 -4.27 1.59 2.07 -1.83 -3.48 116.25 109.59 1kfy h VAL 218 Ca -0.65 -2.86 -0.17 0.00 0.82 0.00 0.00 66.70 63.83 1kfy h VAL 218 Cb 1.37 2.68 0.11 0.00 -1.52 0.00 0.00 31.29 33.92 1kfy h VAL 218 CO 0.55 0.77 -0.47 -0.67 0.02 0.00 0.00 177.57 177.76 1kfy n ASP 219 N -3.33 -3.14 -0.04 0.57 2.03 -1.26 -4.44 116.55 106.94 1kfy n ASP 219 Ca -0.14 -0.39 -0.09 0.00 0.52 0.00 0.00 54.79 54.69 1kfy n ASP 219 Cb 1.03 -3.24 -0.02 0.00 -0.72 0.00 0.00 41.12 38.16 1kfy n ASP 219 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1kfy h PRO 220 N -0.92 -0.27 -0.93 -0.67 0.13 -1.92 -0.80 132.00 126.62 1kfy h PRO 220 Ca -0.35 0.02 0.39 0.00 -0.87 0.00 0.00 66.00 65.19 1kfy h PRO 220 Cb 1.19 0.06 -0.17 0.00 0.13 0.00 0.00 31.00 32.22 1kfy h PRO 220 CO 0.28 -0.18 0.50 0.00 -0.23 0.00 0.00 178.00 178.37 1kfy n ALA 221 N -2.81 0.96 0.22 -0.56 0.00 -1.26 0.28 120.51 117.34 1kfy n ALA 221 Ca -0.01 0.95 0.09 0.00 0.00 0.00 0.00 53.44 54.47 1kfy n ALA 221 Cb 0.30 -0.95 0.46 0.00 0.00 0.00 0.00 19.45 19.26 1kfy n ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kfy h ALA 222 N 1.87 1.07 0.01 0.00 0.00 -1.50 -1.84 119.26 118.88 1kfy h ALA 222 Ca 0.79 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.47 1kfy h ALA 222 Cb 2.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1kfy h ALA 222 CO -0.72 0.32 -0.01 0.00 0.00 0.00 0.00 179.25 178.84 1kfy h ALA 223 N 1.74 -0.01 0.25 0.00 0.00 0.41 -2.67 119.26 118.98 1kfy h ALA 223 Ca -0.00 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1kfy h ALA 223 Cb 0.72 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1kfy h ALA 223 CO 0.03 -0.17 -0.38 0.82 0.00 0.00 0.00 179.25 179.55 1kfy h ILE 224 N -0.68 0.22 -1.00 0.00 2.04 -1.01 0.41 117.51 117.48 1kfy h ILE 224 Ca -0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1kfy h ILE 224 Cb 0.66 0.22 -0.09 0.00 -0.74 0.00 0.00 36.82 36.86 1kfy h ILE 224 CO 0.00 0.00 0.62 1.56 0.00 0.00 0.00 178.15 180.34 1kfy h GLN 225 N -0.70 0.91 -0.16 2.37 1.08 -1.44 1.27 115.11 118.44 1kfy h GLN 225 Ca -0.00 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.07 1kfy h GLN 225 Cb 0.67 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1kfy h GLN 225 CO -0.14 0.60 -0.20 1.96 -0.95 0.00 0.00 178.83 180.09 1kfy h GLN 226 N 0.94 0.28 0.05 1.46 4.20 -0.97 -2.32 115.11 118.75 1kfy h GLN 226 Ca 0.52 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 59.14 1kfy h GLN 226 Cb 0.59 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1kfy h GLN 226 CO -0.30 0.48 -0.02 0.78 -0.67 0.00 0.00 178.83 179.10 1kfy h GLY 227 N 0.91 -0.07 -0.39 3.46 0.00 0.58 -2.38 103.07 105.17 1kfy h GLY 227 Ca 0.05 0.03 0.24 0.00 0.00 0.00 0.00 47.33 47.65 1kfy h GLY 227 CO 0.03 -0.03 0.34 0.50 0.00 0.00 0.00 176.54 177.38 1kfy h LYS 228 N -0.29 0.27 -0.27 4.80 1.57 0.05 0.49 116.57 123.19 1kfy h LYS 228 Ca -0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1kfy h LYS 228 Cb 0.26 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1kfy h LYS 228 CO 0.01 0.18 0.14 0.28 -0.57 0.00 0.00 179.45 179.49 1kfy h VAL 229 N 0.28 1.13 -0.48 0.50 2.07 -1.10 0.07 116.25 118.73 1kfy h VAL 229 Ca 0.58 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.64 1kfy h VAL 229 Cb 1.19 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1kfy h VAL 229 CO -0.61 0.13 -0.09 -0.33 0.02 0.00 0.00 177.57 176.69 1kfy h GLU 230 N 0.32 0.91 -0.27 1.57 4.39 -0.22 -1.12 114.58 120.15 1kfy h GLU 230 Ca 0.09 -0.34 0.06 0.00 0.34 0.00 0.00 59.36 59.52 1kfy h GLU 230 Cb 0.09 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 1kfy h GLU 230 CO -0.01 0.99 -0.13 1.03 -1.16 0.00 0.00 179.01 179.72 1kfy h SER 231 N 0.76 -0.45 -0.78 1.42 0.87 -0.00 0.24 113.55 115.60 1kfy h SER 231 Ca 0.12 0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 1kfy h SER 231 Cb 0.64 0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.79 1kfy h SER 231 CO 0.04 -0.17 0.49 0.28 -0.53 0.00 0.00 176.83 176.94 1kfy h SER 232 N -0.10 0.79 0.01 6.23 0.02 -0.71 0.47 113.55 120.26 1kfy h SER 232 Ca 0.14 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1kfy h SER 232 Cb 0.32 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1kfy h SER 232 CO -0.33 0.53 -0.20 0.11 -1.14 0.00 0.00 176.83 175.80 1kfy h LYS 233 N 0.93 0.34 -0.44 3.45 1.57 0.05 -2.37 116.57 120.11 1kfy h LYS 233 Ca 0.32 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1kfy h LYS 233 Cb 0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1kfy h LYS 233 CO -0.13 0.54 0.16 0.22 -0.57 0.00 0.00 179.45 179.66 1kfy h ASP 234 N 0.31 0.62 -0.59 0.86 -0.00 0.11 -2.16 116.42 115.57 1kfy h ASP 234 Ca 0.05 -0.19 0.03 0.00 -0.00 0.00 0.00 57.03 56.93 1kfy h ASP 234 Cb 0.54 -0.16 -0.04 0.00 -0.00 0.00 0.00 39.33 39.67 1kfy h ASP 234 CO 0.04 0.64 0.36 0.15 -0.00 0.00 0.00 179.24 180.42 1kfy h PHE 235 N 0.56 0.66 0.28 0.28 3.57 -0.55 0.25 116.94 121.99 1kfy h PHE 235 Ca 0.14 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1kfy h PHE 235 Cb 0.23 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1kfy h PHE 235 CO 0.01 0.37 -0.14 1.25 -2.23 0.00 0.00 178.31 177.57 1kfy h LEU 236 N 0.70 -0.32 -0.81 0.59 6.46 -1.37 -2.06 115.31 118.50 1kfy h LEU 236 Ca 0.24 -0.17 0.19 0.00 -0.12 0.00 0.00 57.88 58.01 1kfy h LEU 236 Cb 0.04 0.08 -0.12 0.00 -0.73 0.00 0.00 40.66 39.94 1kfy h LEU 236 CO -0.11 0.02 0.27 0.40 -0.62 0.00 0.00 178.44 178.39 1kfy h ILE 237 N -0.69 0.50 -0.16 4.05 5.03 -1.24 0.31 117.51 125.31 1kfy h ILE 237 Ca -0.04 -0.11 -0.06 0.00 -0.12 0.00 0.00 64.86 64.53 1kfy h ILE 237 Cb 0.48 0.14 -0.01 0.00 -3.03 0.00 0.00 36.82 34.39 1kfy h ILE 237 CO 0.06 0.06 -0.16 0.00 -0.68 0.00 0.00 178.15 177.43 1kfy h ALA 238 N 1.66 1.43 -0.04 1.87 0.00 -0.87 -2.44 119.26 120.87 1kfy h ALA 238 Ca 0.48 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 1kfy h ALA 238 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1kfy h ALA 238 CO -0.52 0.40 -0.81 1.15 0.00 0.00 0.00 179.25 179.46 1kfy h THR 239 N 0.24 1.42 -0.50 0.00 2.02 0.32 -3.19 112.91 113.21 1kfy h THR 239 Ca 0.05 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1kfy h THR 239 Cb 0.44 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1kfy h THR 239 CO 0.03 0.69 0.00 0.18 0.37 0.00 0.00 175.52 176.79 1kfy n LEU 240 N -3.77 3.19 -0.00 2.58 4.77 -0.64 -4.32 117.00 118.81 1kfy n LEU 240 Ca -0.05 -1.60 0.10 0.00 -0.03 0.00 0.00 56.01 54.44 1kfy n LEU 240 Cb 0.76 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 1kfy n LEU 240 CO 0.48 0.67 -0.12 1.17 -1.33 0.00 0.00 177.39 178.26 1kfy n LYS 241 N 0.91 0.10 -0.06 3.23 3.00 -0.94 -4.39 118.16 120.01 1kfy n LYS 241 Ca 0.18 -0.03 -0.05 0.00 -0.00 0.00 0.00 58.31 58.41 1kfy n LYS 241 Cb 0.56 -1.51 -0.15 0.00 0.00 0.00 0.00 35.03 33.93 1kfy n LYS 241 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1kfy n PRO 242 N -1.62 0.67 -0.51 1.64 -0.04 -1.26 -5.08 135.00 128.79 1kfy n PRO 242 Ca 0.03 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1kfy n PRO 242 Cb 0.37 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1kfy n PRO 242 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00