#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f2f n PRO 26 N 0.00 1.37 -1.64 -0.67 -0.04 -1.26 -4.96 135.00 127.80 2f2f n PRO 26 Ca 0.00 -0.77 -0.38 0.00 -0.04 0.00 0.00 63.50 62.31 2f2f n PRO 26 Cb 0.00 -1.30 0.05 0.00 -0.04 0.00 0.00 33.50 32.21 2f2f n PRO 26 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2f2f n THR 27 N 0.67 3.68 0.30 0.52 5.66 -1.26 -4.89 114.28 118.96 2f2f n THR 27 Ca 0.15 -0.50 0.17 0.00 -3.05 0.00 0.00 64.05 60.82 2f2f n THR 27 Cb 0.61 -1.26 0.68 0.00 -1.55 0.00 0.00 70.33 68.81 2f2f n THR 27 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 2f2f h THR 28 N 0.76 0.00 -3.03 1.09 2.02 -2.00 -3.36 112.91 108.39 2f2f h THR 28 Ca -0.49 -0.45 -0.62 0.00 0.77 0.00 0.00 66.41 65.63 2f2f h THR 28 Cb 1.35 1.40 -0.41 0.00 -1.74 0.00 0.00 68.15 68.75 2f2f h THR 28 CO 0.53 0.00 -0.67 -0.31 0.37 0.00 0.00 175.52 175.44 2f2f s TYR 29 N -3.63 2.89 -0.95 3.16 2.02 -1.26 -4.94 117.35 114.64 2f2f s TYR 29 Ca 0.01 -3.02 0.11 0.00 -0.37 0.00 0.00 57.07 53.81 2f2f s TYR 29 Cb 0.09 -2.35 0.47 0.00 -0.40 0.00 0.00 41.96 39.77 2f2f s TYR 29 CO 0.51 -0.66 1.35 -0.35 -1.57 0.00 0.00 175.55 174.83 2f2f n PRO 30 N 2.59 0.01 0.22 -1.71 -0.04 -1.26 -1.73 135.00 133.09 2f2f n PRO 30 Ca 0.16 0.34 0.10 0.00 -0.04 0.00 0.00 63.50 64.06 2f2f n PRO 30 Cb 0.36 -1.53 0.47 0.00 -0.04 0.00 0.00 33.50 32.76 2f2f n PRO 30 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2f2f h ASP 31 N 0.00 0.00 -2.92 3.54 2.03 -1.95 -3.38 116.42 113.74 2f2f h ASP 31 Ca 0.00 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.62 2f2f h ASP 31 Cb 0.18 0.00 -0.18 0.00 -0.83 0.00 0.00 39.33 38.50 2f2f h ASP 31 CO 0.00 0.24 0.22 -0.69 -1.03 0.00 0.00 179.24 177.97 2f2f s VAL 32 N -3.72 4.70 0.38 4.15 1.01 -0.71 -5.04 120.40 121.17 2f2f s VAL 32 Ca -0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 60.98 2f2f s VAL 32 Cb 0.11 -4.50 -0.10 0.00 0.00 0.00 0.00 36.38 31.89 2f2f s VAL 32 CO 0.64 -1.15 1.34 -0.70 0.00 0.00 0.00 175.10 175.24 2f2f s GLU 33 N 3.03 4.11 0.43 2.72 2.12 -1.26 -4.96 118.70 124.90 2f2f s GLU 33 Ca 0.15 2.27 -0.25 0.00 0.36 0.00 0.00 54.97 57.50 2f2f s GLU 33 Cb -0.21 -2.90 -0.08 0.00 0.26 0.00 0.00 34.13 31.20 2f2f s GLU 33 CO 0.08 -0.41 1.31 -1.17 -0.54 0.00 0.00 175.26 174.54 2f2f s LEU 34 N -2.16 4.14 -0.09 2.70 2.96 -1.26 -5.01 118.68 119.96 2f2f s LEU 34 Ca 0.54 2.67 -0.03 0.00 -0.22 0.00 0.00 54.13 57.09 2f2f s LEU 34 Cb -0.40 -3.98 -0.04 0.00 0.50 0.00 0.00 46.19 42.27 2f2f s LEU 34 CO 0.53 -0.98 0.05 -0.44 -1.32 0.00 0.00 176.35 174.20 2f2f s SER 35 N -0.78 5.63 0.79 3.68 0.01 -1.26 -5.11 113.70 116.66 2f2f s SER 35 Ca 0.60 0.24 -0.11 0.00 1.31 0.00 0.00 55.95 57.98 2f2f s SER 35 Cb -0.38 -1.67 0.07 0.00 0.21 0.00 0.00 66.02 64.25 2f2f s SER 35 CO 0.49 0.38 1.09 -2.16 0.41 0.00 0.00 173.24 173.44 2f2f s PRO 36 N -1.03 2.13 0.79 12.44 0.04 -1.26 -5.01 135.00 143.10 2f2f s PRO 36 Ca 0.15 0.74 -0.13 0.00 0.04 0.00 0.00 61.00 61.80 2f2f s PRO 36 Cb -0.12 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.58 2f2f s PRO 36 CO 0.04 -1.62 1.19 -2.14 0.04 0.00 0.00 177.00 174.51 2f2f s PRO 37 N -5.10 1.77 0.43 0.56 0.02 -1.26 -4.97 135.00 126.46 2f2f s PRO 37 Ca 0.61 1.68 -0.22 0.00 0.02 0.00 0.00 61.00 63.08 2f2f s PRO 37 Cb -0.15 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 32.48 2f2f s PRO 37 CO 0.55 -2.10 1.04 -1.25 -0.33 0.00 0.00 177.00 174.91 2f2f s PRO 38 N -4.19 4.04 -0.18 5.54 0.04 -1.26 -4.84 135.00 134.14 2f2f s PRO 38 Ca 0.72 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 2f2f s PRO 38 Cb -0.27 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 2f2f s PRO 38 CO 0.50 -0.24 0.23 0.50 0.04 0.00 0.00 177.00 178.03 2f2f s ARG 39 N -2.80 4.21 0.30 4.56 6.06 -1.26 -1.20 118.95 128.82 2f2f s ARG 39 Ca 0.61 -0.04 0.05 0.00 -2.50 0.00 0.00 55.73 53.85 2f2f s ARG 39 Cb -0.19 -3.44 -0.03 0.00 0.06 0.00 0.00 34.95 31.34 2f2f s ARG 39 CO 0.24 0.22 0.22 0.96 -2.50 0.00 0.00 175.30 174.45 2f2f s ILE 40 N 0.54 0.06 -0.05 4.11 -4.36 -0.36 -4.16 121.20 116.98 2f2f s ILE 40 Ca 0.13 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.53 2f2f s ILE 40 Cb -0.12 -2.49 0.02 0.00 1.25 0.00 0.00 42.46 41.11 2f2f s ILE 40 CO 0.02 0.00 -0.07 -0.44 0.24 0.00 0.00 174.94 174.69 2f2f s SER 41 N -3.33 1.13 -0.36 4.36 0.01 -0.08 -1.74 113.70 113.70 2f2f s SER 41 Ca 0.39 -0.17 -0.12 0.00 1.31 0.00 0.00 55.95 57.36 2f2f s SER 41 Cb 0.04 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.75 2f2f s SER 41 CO 0.22 -0.02 0.22 -0.22 0.41 0.00 0.00 173.24 173.85 2f2f s LEU 42 N 0.79 4.59 -0.04 2.44 2.96 -1.26 -1.77 118.68 126.39 2f2f s LEU 42 Ca -0.12 -0.70 0.04 0.00 -0.22 0.00 0.00 54.13 53.13 2f2f s LEU 42 Cb -0.14 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 2f2f s LEU 42 CO 0.01 -0.31 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.44 2f2f s ARG 43 N 1.64 2.42 0.18 1.98 0.52 -0.82 0.07 118.95 124.94 2f2f s ARG 43 Ca 0.04 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.21 2f2f s ARG 43 Cb -0.18 -2.31 -0.08 0.00 0.52 0.00 0.00 34.95 32.90 2f2f s ARG 43 CO 0.08 0.61 1.12 0.45 0.02 0.00 0.00 175.30 177.59 2f2f s SER 44 N -0.72 7.22 0.28 0.23 0.15 -1.07 -0.48 113.70 119.31 2f2f s SER 44 Ca 0.11 2.13 0.26 0.00 0.70 0.00 0.00 55.95 59.15 2f2f s SER 44 Cb -0.10 -2.61 0.87 0.00 -1.71 0.00 0.00 66.02 62.47 2f2f s SER 44 CO 0.00 -0.25 1.76 -0.07 1.20 0.00 0.00 173.24 175.87 2f2f h LEU 45 N 5.10 0.00 0.13 3.45 3.38 -1.09 0.21 115.31 126.48 2f2f h LEU 45 Ca -0.44 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.33 2f2f h LEU 45 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.98 2f2f h LEU 45 CO 0.73 0.00 -0.91 0.25 0.09 0.00 0.00 178.44 178.60 2f2f h LEU 46 N 0.00 0.42 0.00 1.67 6.46 -1.77 -3.39 115.31 118.70 2f2f h LEU 46 Ca 0.00 -0.93 0.00 0.00 -0.12 0.00 0.00 57.88 56.83 2f2f h LEU 46 Cb 0.62 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 2f2f h LEU 46 CO 0.00 1.42 -1.34 0.35 -0.62 0.00 0.00 178.44 178.25 2f2f n THR 47 N -4.11 0.00 -1.31 1.05 -2.24 -1.23 -4.98 114.28 101.46 2f2f n THR 47 Ca -0.16 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.24 2f2f n THR 47 Cb 0.82 0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 69.48 2f2f n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f2f n ALA 48 N -1.79 -0.16 -2.68 6.98 0.00 0.74 -4.97 120.51 118.62 2f2f n ALA 48 Ca -0.01 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 2f2f n ALA 48 Cb 0.35 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 2f2f n ALA 48 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2f2f s GLN 49 N -2.74 4.37 0.39 0.00 0.74 -1.25 -4.71 119.66 116.46 2f2f s GLN 49 Ca 0.00 1.21 -0.24 0.00 0.05 0.00 0.00 55.36 56.38 2f2f s GLN 49 Cb 0.00 -3.55 -0.09 0.00 1.10 0.00 0.00 33.01 30.46 2f2f s GLN 49 CO 0.00 -0.30 1.01 -1.25 -0.55 0.00 0.00 175.29 174.20 2f2f s PRO 50 N 2.01 4.27 0.01 1.67 0.04 -1.26 -2.60 135.00 139.14 2f2f s PRO 50 Ca 0.43 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 2f2f s PRO 50 Cb -0.17 -2.54 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 2f2f s PRO 50 CO 0.15 -0.02 1.25 0.42 0.04 0.00 0.00 177.00 178.84 2f2f s ILE 51 N -1.73 4.01 0.16 0.56 -1.09 0.11 -4.97 121.20 118.25 2f2f s ILE 51 Ca 0.57 1.40 0.05 0.00 -2.23 0.00 0.00 60.65 60.44 2f2f s ILE 51 Cb -0.19 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 2f2f s ILE 51 CO 0.24 0.04 0.11 -0.54 -1.23 0.00 0.00 174.94 173.57 2f2f s LYS 52 N 1.77 2.83 0.32 2.79 1.02 -1.26 -4.66 119.74 122.55 2f2f s LYS 52 Ca 0.59 -0.89 0.07 0.00 0.02 0.00 0.00 55.97 55.76 2f2f s LYS 52 Cb -0.28 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 2f2f s LYS 52 CO 0.26 0.49 0.38 0.54 -0.92 0.00 0.00 175.35 176.09 2f2f s ASN 53 N -3.04 5.76 -0.05 2.83 2.20 -0.02 -4.94 114.94 117.68 2f2f s ASN 53 Ca 0.30 -0.26 0.20 0.00 -0.94 0.00 0.00 52.86 52.16 2f2f s ASN 53 Cb -0.10 -1.24 0.66 0.00 -2.00 0.00 0.00 41.25 38.57 2f2f s ASN 53 CO 0.23 -0.33 1.56 -0.90 -2.94 0.00 0.00 177.10 174.71 2f2f n ASP 54 N -1.49 4.15 0.12 3.54 5.68 -1.26 -4.37 116.55 122.91 2f2f n ASP 54 Ca -0.02 -2.18 0.02 0.00 -0.50 0.00 0.00 54.79 52.10 2f2f n ASP 54 Cb 0.58 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 2f2f n ASP 54 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2f2f h HIS 55 N 4.07 0.00 -2.56 2.11 3.86 -1.95 -3.47 115.15 117.22 2f2f h HIS 55 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 2f2f h HIS 55 Cb 1.15 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.48 2f2f h HIS 55 CO 0.59 0.55 -0.72 0.71 0.86 0.00 0.00 177.93 179.92 2f2f s TYR 56 N -2.94 1.99 0.33 2.45 2.02 -1.26 -5.08 117.35 114.86 2f2f s TYR 56 Ca 0.03 -0.54 -0.29 0.00 -0.37 0.00 0.00 57.07 55.90 2f2f s TYR 56 Cb 0.08 -0.99 -0.11 0.00 -0.40 0.00 0.00 41.96 40.54 2f2f s TYR 56 CO 0.76 0.45 1.51 -3.47 -1.57 0.00 0.00 175.55 173.23 2f2f n ASP 57 N -0.54 3.70 0.00 2.29 -0.08 -1.26 -4.78 116.55 115.88 2f2f n ASP 57 Ca -0.06 1.19 0.01 0.00 -1.51 0.00 0.00 54.79 54.42 2f2f n ASP 57 Cb 0.61 -1.59 0.07 0.00 2.34 0.00 0.00 41.12 42.56 2f2f n ASP 57 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2f2f n SER 58 N 1.25 0.00 0.05 1.67 2.88 -1.26 0.95 113.62 119.15 2f2f n SER 58 Ca 0.05 0.20 0.11 0.00 -1.33 0.00 0.00 58.87 57.90 2f2f n SER 58 Cb 0.37 -0.24 -0.02 0.00 -0.75 0.00 0.00 64.21 63.57 2f2f n SER 58 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2f2f n HIS 59 N -1.24 0.48 -2.87 0.66 8.25 -1.26 -4.85 115.22 114.39 2f2f n HIS 59 Ca 0.01 0.14 -0.41 0.00 -0.26 0.00 0.00 57.72 57.21 2f2f n HIS 59 Cb 0.02 -0.65 -0.04 0.00 1.12 0.00 0.00 29.99 30.44 2f2f n HIS 59 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2f2f s ASN 60 N -4.59 7.25 0.50 0.41 3.84 0.27 -4.94 114.94 117.68 2f2f s ASN 60 Ca -0.00 1.51 0.16 0.00 0.21 0.00 0.00 52.86 54.73 2f2f s ASN 60 Cb 0.12 -2.51 1.20 0.00 -0.55 0.00 0.00 41.25 39.51 2f2f s ASN 60 CO 0.82 -0.12 2.11 0.10 -2.79 0.00 0.00 177.10 177.21 2f2f h TYR 61 N 6.29 0.00 0.00 0.43 -0.00 -1.89 -1.18 116.97 120.62 2f2f h TYR 61 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.31 2f2f h TYR 61 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.94 2f2f h TYR 61 CO 0.66 0.05 0.09 1.28 -0.00 0.00 0.00 178.16 180.24 2f2f n LEU 62 N -4.48 0.47 0.00 0.10 4.77 -1.26 -0.48 117.00 116.12 2f2f n LEU 62 Ca -0.03 0.68 0.12 0.00 -0.03 0.00 0.00 56.01 56.75 2f2f n LEU 62 Cb 0.13 -0.72 0.57 0.00 -2.33 0.00 0.00 43.42 41.08 2f2f n LEU 62 CO 0.35 -0.84 0.90 -1.54 -1.33 0.00 0.00 177.39 174.92 2f2f n SER 63 N -2.15 0.00 -0.67 -1.43 3.41 -0.45 -2.79 113.62 109.54 2f2f n SER 63 Ca -0.01 0.21 0.06 0.00 -0.26 0.00 0.00 58.87 58.87 2f2f n SER 63 Cb 0.12 -0.39 0.14 0.00 -0.26 0.00 0.00 64.21 63.82 2f2f n SER 63 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2f2f n THR 64 N -1.39 0.66 -3.91 6.66 -2.24 0.37 -0.84 114.28 113.59 2f2f n THR 64 Ca 0.09 -0.83 -0.36 0.00 -2.27 0.00 0.00 64.05 60.68 2f2f n THR 64 Cb 0.24 0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 2f2f n THR 64 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2f2f s HIS 65 N -1.03 3.57 0.04 4.78 4.02 -1.12 -4.32 115.29 121.24 2f2f s HIS 65 Ca 0.23 0.48 -0.02 0.00 1.02 0.00 0.00 55.06 56.77 2f2f s HIS 65 Cb 0.13 -1.91 -0.03 0.00 -1.02 0.00 0.00 32.58 29.75 2f2f s HIS 65 CO 0.18 0.71 -0.00 -1.58 1.02 0.00 0.00 174.74 175.06 2f2f s TRP 66 N -1.08 0.40 -0.18 1.40 0.52 -0.71 -4.47 118.94 114.82 2f2f s TRP 66 Ca 0.17 -0.85 -0.06 0.00 0.02 0.00 0.00 56.10 55.38 2f2f s TRP 66 Cb -0.12 -0.30 -0.03 0.00 -1.15 0.00 0.00 33.47 31.87 2f2f s TRP 66 CO 0.07 -0.34 0.02 -1.21 0.02 0.00 0.00 176.95 175.50 2f2f s GLU 67 N -3.20 3.80 -0.29 4.98 2.02 0.09 -1.22 118.70 124.89 2f2f s GLU 67 Ca 0.00 -0.44 -0.21 0.00 0.02 0.00 0.00 54.97 54.34 2f2f s GLU 67 Cb 0.03 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 31.15 2f2f s GLU 67 CO -0.07 0.20 0.69 -1.17 0.02 0.00 0.00 175.26 174.92 2f2f s LEU 68 N 0.54 4.10 -0.01 1.80 2.96 -0.34 -1.42 118.68 126.31 2f2f s LEU 68 Ca 0.00 0.62 0.05 0.00 -0.22 0.00 0.00 54.13 54.58 2f2f s LEU 68 Cb -0.13 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 2f2f s LEU 68 CO 0.02 -0.49 -0.15 0.27 -1.32 0.00 0.00 176.35 174.68 2f2f s ILE 69 N 2.69 1.17 0.26 6.68 -4.36 -0.90 -4.09 121.20 122.65 2f2f s ILE 69 Ca 0.28 -0.65 -0.24 0.00 -0.26 0.00 0.00 60.65 59.78 2f2f s ILE 69 Cb -0.15 -0.98 -0.09 0.00 1.25 0.00 0.00 42.46 42.49 2f2f s ILE 69 CO 0.11 0.32 0.84 -1.81 0.24 0.00 0.00 174.94 174.64 2f2f s ASP 70 N -0.38 7.27 -0.22 4.36 1.01 -1.26 -0.49 116.67 126.96 2f2f s ASP 70 Ca 0.06 1.67 -0.20 0.00 0.71 0.00 0.00 52.55 54.79 2f2f s ASP 70 Cb -0.06 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 2f2f s ASP 70 CO -0.00 0.03 0.58 -0.47 0.21 0.00 0.00 175.17 175.51 2f2f s TYR 71 N -1.48 3.33 -1.32 4.23 5.04 -0.51 -4.83 117.35 121.80 2f2f s TYR 71 Ca 0.45 0.81 0.26 0.00 -2.44 0.00 0.00 57.07 56.15 2f2f s TYR 71 Cb -0.19 -2.77 0.68 0.00 0.35 0.00 0.00 41.96 40.03 2f2f s TYR 71 CO 0.24 -0.21 1.52 1.63 -1.34 0.00 0.00 175.55 177.39 2f2f n LYS 72 N 5.24 0.35 -1.20 4.97 4.76 -1.26 -4.75 118.16 126.27 2f2f n LYS 72 Ca -0.02 -0.20 -0.32 0.00 -2.87 0.00 0.00 58.31 54.90 2f2f n LYS 72 Cb 0.50 -1.50 0.11 0.00 -1.84 0.00 0.00 35.03 32.30 2f2f n LYS 72 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2f2f s GLY 73 N -2.78 1.85 0.00 0.72 0.00 -1.26 -4.99 107.32 100.85 2f2f s GLY 73 Ca 0.17 0.49 0.09 0.00 0.00 0.00 0.00 44.72 45.47 2f2f s GLY 73 CO 0.61 0.87 1.19 0.28 0.00 0.00 0.00 173.10 176.05 2f2f n LYS 74 N -3.44 2.77 -0.03 2.90 4.76 -1.26 -4.68 118.16 119.18 2f2f n LYS 74 Ca 0.11 -1.91 0.09 0.00 -2.87 0.00 0.00 58.31 53.72 2f2f n LYS 74 Cb 0.52 -1.22 0.44 0.00 -1.84 0.00 0.00 35.03 32.94 2f2f n LYS 74 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2f2f n GLU 75 N 0.34 1.22 -0.04 1.97 0.00 -1.26 -3.60 120.64 119.27 2f2f n GLU 75 Ca 0.09 -0.33 0.04 0.00 0.00 0.00 0.00 57.16 56.96 2f2f n GLU 75 Cb 0.39 -1.29 0.05 0.00 0.00 0.00 0.00 31.44 30.59 2f2f n GLU 75 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2f2f n TYR 76 N -0.42 0.00 -0.01 -1.84 4.01 -1.26 -4.83 117.16 112.80 2f2f n TYR 76 Ca 0.13 -0.66 0.03 0.00 -0.16 0.00 0.00 57.90 57.25 2f2f n TYR 76 Cb 0.14 -0.09 0.39 0.00 -0.31 0.00 0.00 39.34 39.47 2f2f n TYR 76 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2f2f h GLU 77 N 0.00 0.56 -0.30 -0.72 4.39 -1.91 -2.50 114.58 114.10 2f2f h GLU 77 Ca 0.00 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2f2f h GLU 77 Cb 0.73 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2f2f h GLU 77 CO 0.00 0.41 0.04 1.57 -1.16 0.00 0.00 179.01 179.87 2f2f h LYS 78 N 0.57 0.45 -0.06 2.33 2.10 -1.90 -3.00 116.57 117.06 2f2f h LYS 78 Ca 0.15 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 2f2f h LYS 78 Cb -0.00 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.25 2f2f h LYS 78 CO -0.03 0.44 0.00 1.28 -2.00 0.00 0.00 179.45 179.14 2f2f n LEU 79 N -4.34 2.15 -0.31 7.07 4.77 -1.21 -4.65 117.00 120.49 2f2f n LEU 79 Ca 0.01 -1.13 0.32 0.00 -0.03 0.00 0.00 56.01 55.18 2f2f n LEU 79 Cb 0.19 -0.03 0.69 0.00 -2.33 0.00 0.00 43.42 41.95 2f2f n LEU 79 CO 0.37 0.43 1.29 -0.09 -1.33 0.00 0.00 177.39 178.07 2f2f h ARG 80 N 2.39 0.08 -5.20 3.23 2.43 -1.29 -3.46 114.38 112.56 2f2f h ARG 80 Ca 0.00 -0.01 -0.40 0.00 -0.81 0.00 0.00 59.98 58.76 2f2f h ARG 80 Cb 0.54 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2f2f h ARG 80 CO 0.00 0.06 -0.60 -3.47 -1.51 0.00 0.00 179.97 174.44 2f2f n ASP 81 N -4.29 -4.83 0.00 -3.80 2.03 -1.26 -1.14 116.55 103.26 2f2f n ASP 81 Ca 0.25 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2f2f n ASP 81 Cb 1.14 -3.93 0.00 0.00 -0.72 0.00 0.00 41.12 37.61 2f2f n ASP 81 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2f2f n GLY 82 N -1.39 0.51 3.97 0.27 0.00 -1.26 -4.92 105.19 102.36 2f2f n GLY 82 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 2f2f n GLY 82 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2f2f s GLY 83 N -2.00 1.77 -0.27 -0.02 0.00 -0.29 -4.93 107.32 101.58 2f2f s GLY 83 Ca 0.00 -1.54 -0.06 0.00 0.00 0.00 0.00 44.72 43.12 2f2f s GLY 83 CO 0.00 -0.91 0.04 -1.59 0.00 0.00 0.00 173.10 170.64 2f2f s THR 84 N -3.39 3.73 0.13 0.90 2.01 0.39 -4.86 115.64 114.55 2f2f s THR 84 Ca 0.69 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 2f2f s THR 84 Cb -0.05 -2.86 -0.07 0.00 0.01 0.00 0.00 72.50 69.52 2f2f s THR 84 CO 0.47 0.19 1.27 -0.76 -0.69 0.00 0.00 174.62 175.10 2f2f s LEU 85 N 1.48 4.40 0.34 4.42 1.43 -1.26 -0.50 118.68 129.00 2f2f s LEU 85 Ca 0.03 2.22 -0.01 0.00 -1.03 0.00 0.00 54.13 55.34 2f2f s LEU 85 Cb -0.16 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 2f2f s LEU 85 CO 0.01 -0.50 0.44 0.68 0.23 0.00 0.00 176.35 177.21 2f2f s VAL 86 N 0.63 0.00 0.00 -1.59 -7.23 0.84 -1.43 120.40 111.63 2f2f s VAL 86 Ca 0.58 -1.66 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 2f2f s VAL 86 Cb -0.33 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 2f2f s VAL 86 CO 0.33 0.00 0.07 -1.10 -0.31 0.00 0.00 175.10 174.08 2f2f s GLN 87 N -3.11 0.35 -0.39 4.82 -0.21 0.36 -0.68 119.66 120.81 2f2f s GLN 87 Ca 0.32 -0.39 -0.07 0.00 0.02 0.00 0.00 55.36 55.24 2f2f s GLN 87 Cb 0.00 0.14 0.07 0.00 1.00 0.00 0.00 33.01 34.22 2f2f s GLN 87 CO 0.21 -0.07 0.19 -0.06 -2.12 0.00 0.00 175.29 173.44 2f2f s PHE 88 N -1.17 3.34 0.04 0.91 0.08 -1.26 -2.13 117.98 117.79 2f2f s PHE 88 Ca -0.13 -1.63 -0.09 0.00 0.12 0.00 0.00 56.93 55.20 2f2f s PHE 88 Cb -0.07 -2.73 -0.05 0.00 -0.57 0.00 0.00 43.02 39.59 2f2f s PHE 88 CO 0.00 -0.82 0.34 0.21 -0.10 0.00 0.00 175.22 174.85 2f2f s LYS 89 N 1.37 3.70 0.35 0.44 2.20 -0.51 -0.94 119.74 126.35 2f2f s LYS 89 Ca 0.02 0.09 -0.27 0.00 -0.36 0.00 0.00 55.97 55.45 2f2f s LYS 89 Cb -0.22 -3.06 -0.09 0.00 -1.51 0.00 0.00 37.83 32.96 2f2f s LYS 89 CO 0.01 0.61 1.16 0.08 -0.36 0.00 0.00 175.35 176.86 2f2f s VAL 90 N -1.32 3.21 -0.20 4.02 1.01 0.12 -0.73 120.40 126.52 2f2f s VAL 90 Ca 0.29 1.10 -0.29 0.00 0.00 0.00 0.00 61.98 63.09 2f2f s VAL 90 Cb -0.14 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2f2f s VAL 90 CO 0.16 0.18 1.72 -0.69 0.00 0.00 0.00 175.10 176.47 2f2f s VAL 91 N -1.31 3.55 -0.10 2.92 1.01 -1.26 -3.01 120.40 122.20 2f2f s VAL 91 Ca 0.52 0.62 -0.00 0.00 0.00 0.00 0.00 61.98 63.11 2f2f s VAL 91 Cb -0.32 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2f2f s VAL 91 CO 0.41 -0.24 0.01 0.61 0.00 0.00 0.00 175.10 175.89 2f2f n GLY 92 N 4.80 0.37 3.43 4.51 0.00 -1.26 -5.05 105.19 111.99 2f2f n GLY 92 Ca 0.20 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 2f2f n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f2f s ALA 93 N -2.16 -1.56 -0.36 4.61 0.00 -1.16 -5.04 121.76 116.09 2f2f s ALA 93 Ca 0.00 0.62 -0.00 0.00 0.00 0.00 0.00 51.96 52.58 2f2f s ALA 93 Cb -0.00 0.65 0.28 0.00 0.00 0.00 0.00 23.12 24.05 2f2f s ALA 93 CO 0.00 -0.66 1.93 0.00 0.00 0.00 0.00 175.76 177.03 2f2f n ALA 94 N -0.04 5.12 -2.41 0.00 0.00 -1.26 -4.33 120.51 117.60 2f2f n ALA 94 Ca -0.17 -1.91 -0.30 0.00 0.00 0.00 0.00 53.44 51.05 2f2f n ALA 94 Cb 0.63 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.54 2f2f n ALA 94 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2f2f s LYS 95 N -2.11 1.94 0.19 0.00 -0.14 -1.26 -2.40 119.74 115.95 2f2f s LYS 95 Ca 0.36 -1.05 0.08 0.00 -1.36 0.00 0.00 55.97 54.00 2f2f s LYS 95 Cb 0.29 -2.10 -0.04 0.00 -1.68 0.00 0.00 37.83 34.29 2f2f s LYS 95 CO 0.01 0.53 -0.15 0.00 -0.76 0.00 0.00 175.35 174.97 2f2f s PHE 97 N -2.72 2.80 0.04 0.00 5.36 -0.11 -1.24 117.98 122.11 2f2f s PHE 97 Ca 0.20 1.33 0.03 0.00 -0.96 0.00 0.00 56.93 57.53 2f2f s PHE 97 Cb -0.02 -3.79 -0.02 0.00 -0.34 0.00 0.00 43.02 38.85 2f2f s PHE 97 CO 0.06 -2.33 -0.09 0.00 -1.46 0.00 0.00 175.22 171.41 2f2f s ALA 98 N -1.18 0.68 -0.01 11.12 0.00 -1.26 -4.44 121.76 126.68 2f2f s ALA 98 Ca 0.53 -0.70 -0.19 0.00 0.00 0.00 0.00 51.96 51.61 2f2f s ALA 98 Cb -0.41 -0.03 -0.10 0.00 0.00 0.00 0.00 23.12 22.58 2f2f s ALA 98 CO 0.55 0.05 0.86 0.35 0.00 0.00 0.00 175.76 177.57 2f2f h PHE 99 N 4.80 -0.62 0.00 0.00 -0.00 -1.90 -0.70 116.94 118.52 2f2f h PHE 99 Ca -0.35 -0.01 -0.70 0.00 -0.00 0.00 0.00 57.97 56.90 2f2f h PHE 99 Cb 1.20 0.21 -0.03 0.00 -0.00 0.00 0.00 35.95 37.32 2f2f h PHE 99 CO 0.59 -0.39 3.22 -0.35 -0.00 0.00 0.00 178.31 181.39 2f2f n PRO 100 N -4.77 2.94 -1.79 6.41 -0.04 -1.26 -4.77 135.00 131.72 2f2f n PRO 100 Ca -0.08 -2.54 -0.20 0.00 -0.04 0.00 0.00 63.50 60.64 2f2f n PRO 100 Cb 0.26 -3.22 -0.07 0.00 -0.04 0.00 0.00 33.50 30.44 2f2f n PRO 100 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2f2f s GLY 101 N 3.09 -0.43 0.21 0.55 0.00 -0.27 -4.73 107.32 105.73 2f2f s GLY 101 Ca 0.50 -1.30 -0.10 0.00 0.00 0.00 0.00 44.72 43.83 2f2f s GLY 101 CO -0.08 3.92 1.83 0.83 0.00 0.00 0.00 173.10 179.60 2f2f h GLU 102 N 11.71 0.75 0.00 2.90 3.07 -1.86 -3.45 114.58 127.70 2f2f h GLU 102 Ca 0.06 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2f2f h GLU 102 Cb 0.99 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 2f2f h GLU 102 CO 1.10 0.50 0.00 0.41 -1.40 0.00 0.00 179.01 179.61 2f2f n GLY 103 N -1.29 4.53 3.78 -3.84 0.00 -1.26 -4.72 105.19 102.40 2f2f n GLY 103 Ca 0.08 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 2f2f n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f2f s THR 104 N 2.44 3.33 0.28 2.61 -4.23 -1.26 -4.07 115.64 114.74 2f2f s THR 104 Ca 0.00 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 2f2f s THR 104 Cb 0.00 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 2f2f s THR 104 CO 0.00 -0.20 0.15 0.28 -0.54 0.00 0.00 174.62 174.32 2f2f s THR 105 N -2.35 0.29 0.15 3.99 -1.32 -0.37 -4.88 115.64 111.14 2f2f s THR 105 Ca 0.39 -2.00 -0.34 0.00 -1.21 0.00 0.00 61.69 58.52 2f2f s THR 105 Cb -0.04 -2.53 -0.15 0.00 -1.51 0.00 0.00 72.50 68.26 2f2f s THR 105 CO 0.24 0.00 1.35 -0.67 -2.21 0.00 0.00 174.62 173.33 2f2f n ASP 106 N -0.78 2.02 0.31 8.08 -0.08 -1.26 -0.60 116.55 124.24 2f2f n ASP 106 Ca 0.01 1.12 0.20 0.00 -1.51 0.00 0.00 54.79 54.62 2f2f n ASP 106 Cb 0.65 -1.28 0.97 0.00 2.34 0.00 0.00 41.12 43.80 2f2f n ASP 106 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2f2f h LYS 108 N 0.00 0.00 -4.92 0.00 6.56 -1.88 -3.35 116.57 112.99 2f2f h LYS 108 Ca -0.00 0.00 -0.73 0.00 -1.06 0.00 0.00 60.65 58.86 2f2f h LYS 108 Cb 0.24 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 31.74 2f2f h LYS 108 CO 0.00 0.00 1.54 -3.47 -2.06 0.00 0.00 179.45 175.46 2f2f n ASP 109 N -2.57 5.16 -0.35 0.86 2.03 0.09 -4.80 116.55 116.97 2f2f n ASP 109 Ca 0.02 -2.97 -0.03 0.00 0.52 0.00 0.00 54.79 52.33 2f2f n ASP 109 Cb 0.31 -1.60 0.09 0.00 -0.72 0.00 0.00 41.12 39.21 2f2f n ASP 109 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2f2f h ILE 110 N 4.78 1.26 -0.32 5.18 3.07 -1.83 -2.15 117.51 127.50 2f2f h ILE 110 Ca 0.35 -0.55 0.09 0.00 1.55 0.00 0.00 64.86 66.30 2f2f h ILE 110 Cb 0.86 -0.07 -0.01 0.00 -0.27 0.00 0.00 36.82 37.33 2f2f h ILE 110 CO 1.30 0.27 0.37 0.44 -1.05 0.00 0.00 178.15 179.47 2f2f h ASP 111 N 1.29 0.00 0.00 2.16 5.19 -1.94 -1.45 116.42 121.67 2f2f h ASP 111 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 2f2f h ASP 111 Cb -0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.45 2f2f h ASP 111 CO -0.06 0.00 -0.21 1.41 -3.12 0.00 0.00 179.24 177.26 2f2f n HIS 112 N -3.69 0.00 0.24 4.55 8.25 -1.08 -4.59 115.22 118.90 2f2f n HIS 112 Ca 0.05 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.54 2f2f n HIS 112 Cb 0.52 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.66 2f2f n HIS 112 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2f2f n THR 113 N -1.10 0.07 -3.64 1.59 -2.24 -0.83 -3.20 114.28 104.92 2f2f n THR 113 Ca 0.01 -0.54 -0.38 0.00 -2.27 0.00 0.00 64.05 60.88 2f2f n THR 113 Cb 0.06 1.09 -0.12 0.00 -2.10 0.00 0.00 70.33 69.27 2f2f n THR 113 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2f2f s VAL 114 N -0.57 4.95 0.44 2.28 1.01 -0.59 -4.48 120.40 123.43 2f2f s VAL 114 Ca 0.08 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.15 2f2f s VAL 114 Cb 0.06 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2f2f s VAL 114 CO 0.08 0.26 0.27 -0.36 0.00 0.00 0.00 175.10 175.35 2f2f s PHE 115 N 1.71 2.44 -0.21 5.22 0.08 0.14 -0.56 117.98 126.80 2f2f s PHE 115 Ca 0.07 -0.62 -0.01 0.00 0.12 0.00 0.00 56.93 56.49 2f2f s PHE 115 Cb -0.16 -2.00 0.06 0.00 -0.57 0.00 0.00 43.02 40.35 2f2f s PHE 115 CO 0.08 -0.01 -0.01 1.21 -0.10 0.00 0.00 175.22 176.39 2f2f s ASN 116 N -4.03 3.37 -0.14 1.36 2.47 0.25 -0.11 114.94 118.11 2f2f s ASN 116 Ca 0.41 -0.99 -0.27 0.00 0.42 0.00 0.00 52.86 52.42 2f2f s ASN 116 Cb 0.01 -0.90 -0.01 0.00 -1.45 0.00 0.00 41.25 38.90 2f2f s ASN 116 CO 0.23 -0.27 0.92 -0.76 -3.72 0.00 0.00 177.10 173.51 2f2f s LEU 117 N 1.62 4.20 -0.21 3.21 1.43 0.35 -1.65 118.68 127.62 2f2f s LEU 117 Ca -0.03 1.35 -0.01 0.00 -1.03 0.00 0.00 54.13 54.40 2f2f s LEU 117 Cb -0.18 -3.39 0.02 0.00 0.03 0.00 0.00 46.19 42.66 2f2f s LEU 117 CO -0.07 -0.44 -0.12 -0.63 0.23 0.00 0.00 176.35 175.32 2f2f s ILE 118 N 2.15 2.62 0.62 -0.59 -1.09 -0.23 -0.46 121.20 124.21 2f2f s ILE 118 Ca 0.43 -0.87 -0.16 0.00 -2.23 0.00 0.00 60.65 57.82 2f2f s ILE 118 Cb -0.17 -2.21 -0.02 0.00 -1.58 0.00 0.00 42.46 38.47 2f2f s ILE 118 CO 0.14 0.40 1.09 -2.16 -1.23 0.00 0.00 174.94 173.18 2f2f s PRO 119 N 1.34 3.08 0.36 2.79 0.04 -1.26 -1.66 135.00 139.69 2f2f s PRO 119 Ca 0.03 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.46 2f2f s PRO 119 Cb -0.15 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2f2f s PRO 119 CO -0.08 -1.02 0.11 0.99 0.04 0.00 0.00 177.00 177.04 2f2f s THR 120 N -2.30 0.72 -1.27 1.26 2.01 -1.22 -4.88 115.64 109.97 2f2f s THR 120 Ca 0.66 -2.00 0.27 0.00 0.31 0.00 0.00 61.69 60.94 2f2f s THR 120 Cb -0.19 -2.51 0.39 0.00 0.01 0.00 0.00 72.50 70.19 2f2f s THR 120 CO 0.37 0.00 1.92 -0.46 -0.69 0.00 0.00 174.62 175.76 2f2f n ASN 121 N -1.02 0.00 -0.00 3.53 6.94 -1.26 -3.60 115.26 119.84 2f2f n ASN 121 Ca -0.04 0.12 0.06 0.00 -0.02 0.00 0.00 54.58 54.70 2f2f n ASN 121 Cb 0.65 -0.37 -0.07 0.00 -2.36 0.00 0.00 39.78 37.64 2f2f n ASN 121 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2f2f n THR 122 N -1.37 0.00 0.00 5.53 -2.24 -1.26 -4.98 114.28 109.96 2f2f n THR 122 Ca 0.11 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2f2f n THR 122 Cb 0.26 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 2f2f n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f2f n GLY 123 N 1.28 0.25 3.90 3.38 0.00 -1.24 -5.07 105.19 107.69 2f2f n GLY 123 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2f2f n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f2f s ALA 124 N -2.00 3.03 0.04 4.61 0.00 -1.26 -4.85 121.76 121.33 2f2f s ALA 124 Ca 0.00 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.52 2f2f s ALA 124 Cb 0.00 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 2f2f s ALA 124 CO 0.00 -1.05 -0.16 -0.06 0.00 0.00 0.00 175.76 174.49 2f2f s PHE 125 N -3.24 1.40 -0.10 0.00 0.08 0.45 -3.38 117.98 113.19 2f2f s PHE 125 Ca 0.57 -0.35 -0.09 0.00 0.12 0.00 0.00 56.93 57.18 2f2f s PHE 125 Cb -0.11 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.46 2f2f s PHE 125 CO 0.49 0.05 0.20 -0.51 -0.10 0.00 0.00 175.22 175.35 2f2f s LEU 126 N -1.09 4.39 -0.14 -0.37 1.02 -0.66 -0.27 118.68 121.56 2f2f s LEU 126 Ca 0.04 0.56 0.00 0.00 0.02 0.00 0.00 54.13 54.75 2f2f s LEU 126 Cb -0.08 -2.20 0.02 0.00 0.02 0.00 0.00 46.19 43.96 2f2f s LEU 126 CO 0.01 0.36 -0.13 -0.63 0.02 0.00 0.00 176.35 175.98 2f2f s ILE 127 N -0.88 1.49 0.22 -0.59 1.01 -1.26 -1.07 121.20 120.13 2f2f s ILE 127 Ca 0.16 -0.59 0.09 0.00 0.00 0.00 0.00 60.65 60.32 2f2f s ILE 127 Cb -0.13 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 2f2f s ILE 127 CO 0.06 0.44 -0.03 -0.54 0.00 0.00 0.00 174.94 174.87 2f2f s LYS 128 N 1.52 2.26 0.22 2.79 1.02 -0.66 -0.05 119.74 126.84 2f2f s LYS 128 Ca 0.05 -1.31 -0.27 0.00 0.02 0.00 0.00 55.97 54.47 2f2f s LYS 128 Cb -0.13 -2.20 -0.09 0.00 -0.52 0.00 0.00 37.83 34.89 2f2f s LYS 128 CO -0.10 0.40 0.86 0.16 -0.92 0.00 0.00 175.35 175.75 2f2f s ASP 129 N -3.28 7.45 0.25 2.83 -4.77 -0.62 0.88 116.67 119.40 2f2f s ASP 129 Ca 0.29 1.77 -0.04 0.00 -3.30 0.00 0.00 52.55 51.26 2f2f s ASP 129 Cb -0.08 -2.55 0.29 0.00 -1.09 0.00 0.00 42.92 39.50 2f2f s ASP 129 CO 0.18 0.13 1.78 0.00 0.70 0.00 0.00 175.17 177.97 2f2f h ALA 130 N 4.00 1.11 0.35 2.11 0.00 -1.10 -1.24 119.26 124.49 2f2f h ALA 130 Ca -0.46 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 2f2f h ALA 130 Cb 1.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2f2f h ALA 130 CO 0.66 0.60 -0.17 1.25 0.00 0.00 0.00 179.25 181.59 2f2f h LEU 131 N 0.91 -0.40 0.00 0.00 5.85 -1.81 -3.36 115.31 116.50 2f2f h LEU 131 Ca 0.20 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 2f2f h LEU 131 Cb 0.33 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2f2f h LEU 131 CO -0.00 -0.07 -1.58 0.18 -0.34 0.00 0.00 178.44 176.63 2f2f n LEU 132 N -5.18 0.48 -0.27 2.25 4.77 -1.24 -4.97 117.00 112.83 2f2f n LEU 132 Ca -0.10 0.20 -0.03 0.00 -0.03 0.00 0.00 56.01 56.05 2f2f n LEU 132 Cb 0.27 0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2f2f n LEU 132 CO 0.31 0.02 -0.03 0.61 -1.33 0.00 0.00 177.39 176.97 2f2f n GLY 133 N 1.32 0.48 3.88 -0.72 0.00 -0.47 -5.02 105.19 104.67 2f2f n GLY 133 Ca -0.07 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 2f2f n GLY 133 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f2f s PHE 134 N -2.13 3.46 -0.08 1.61 0.40 -1.26 -4.55 117.98 115.44 2f2f s PHE 134 Ca 0.00 0.88 -0.17 0.00 -0.60 0.00 0.00 56.93 57.05 2f2f s PHE 134 Cb 0.00 -2.30 -0.05 0.00 0.51 0.00 0.00 43.02 41.18 2f2f s PHE 134 CO 0.00 0.04 0.44 0.00 0.70 0.00 0.00 175.22 176.40 2f2f s MET 136 N 0.01 4.51 0.12 0.00 1.75 0.93 -1.46 119.30 125.16 2f2f s MET 136 Ca 0.24 1.14 0.00 0.00 -1.25 0.00 0.00 55.69 55.83 2f2f s MET 136 Cb -0.16 -3.42 -0.04 0.00 2.84 0.00 0.00 34.83 34.05 2f2f s MET 136 CO 0.11 0.10 0.00 0.95 -0.65 0.00 0.00 175.02 175.53 2f2f s THR 137 N 0.58 0.38 -0.14 10.11 -4.23 0.98 -4.63 115.64 118.69 2f2f s THR 137 Ca 0.43 -1.91 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 2f2f s THR 137 Cb -0.20 -1.90 0.06 0.00 1.34 0.00 0.00 72.50 71.81 2f2f s THR 137 CO 0.23 -0.64 0.15 -0.55 -0.54 0.00 0.00 174.62 173.27 2f2f s SER 138 N -3.06 1.48 0.01 3.99 0.15 -0.70 -0.25 113.70 115.31 2f2f s SER 138 Ca 0.19 -0.16 0.23 0.00 0.70 0.00 0.00 55.95 56.90 2f2f s SER 138 Cb 0.07 0.11 0.06 0.00 -1.71 0.00 0.00 66.02 64.55 2f2f s SER 138 CO -0.01 -0.30 1.08 1.41 1.20 0.00 0.00 173.24 176.61 2f2f n HIS 139 N 5.31 0.05 -3.75 3.44 8.25 -1.25 -4.49 115.22 122.77 2f2f n HIS 139 Ca -0.05 0.01 -0.02 0.00 -0.26 0.00 0.00 57.72 57.40 2f2f n HIS 139 Cb 0.49 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.43 2f2f n HIS 139 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2f2f s ASP 140 N -3.20 -0.12 0.20 0.41 -1.08 -1.26 -5.02 116.67 106.59 2f2f s ASP 140 Ca 0.08 -0.40 -0.32 0.00 -0.52 0.00 0.00 52.55 51.39 2f2f s ASP 140 Cb 0.16 0.42 -0.15 0.00 -1.46 0.00 0.00 42.92 41.89 2f2f s ASP 140 CO 0.80 -0.80 1.18 0.49 0.52 0.00 0.00 175.17 177.37 2f2f n PHE 141 N -0.52 1.43 -1.42 -5.34 3.72 -1.26 -0.71 117.46 113.35 2f2f n PHE 141 Ca -0.06 0.64 -0.15 0.00 -0.05 0.00 0.00 57.45 57.83 2f2f n PHE 141 Cb 0.61 -2.30 -0.06 0.00 -0.94 0.00 0.00 39.48 36.78 2f2f n PHE 141 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2f2f n ASP 142 N 1.94 -5.44 -4.49 4.37 8.00 -1.26 -4.95 116.55 114.71 2f2f n ASP 142 Ca 0.14 0.37 -0.37 0.00 0.71 0.00 0.00 54.79 55.64 2f2f n ASP 142 Cb 0.27 -4.37 -0.12 0.00 -0.02 0.00 0.00 41.12 36.87 2f2f n ASP 142 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2f2f s ASP 143 N -2.51 5.42 -0.04 -2.24 2.15 0.11 -5.06 116.67 114.50 2f2f s ASP 143 Ca 0.00 -0.15 -0.01 0.00 0.43 0.00 0.00 52.55 52.83 2f2f s ASP 143 Cb 0.00 -1.99 0.03 0.00 -0.30 0.00 0.00 42.92 40.66 2f2f s ASP 143 CO 0.00 -0.04 0.03 -0.22 -0.17 0.00 0.00 175.17 174.77 2f2f s LEU 144 N 1.66 0.72 0.10 -1.34 2.96 -1.26 -3.97 118.68 117.55 2f2f s LEU 144 Ca 0.07 0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.96 2f2f s LEU 144 Cb -0.15 -0.19 -0.03 0.00 0.50 0.00 0.00 46.19 46.32 2f2f s LEU 144 CO 0.06 -0.17 0.08 0.00 -1.32 0.00 0.00 176.35 175.00 2f2f s ARG 145 N 1.54 0.82 -0.30 1.98 1.70 0.65 -4.97 118.95 120.37 2f2f s ARG 145 Ca -0.03 -1.22 0.03 0.00 -0.47 0.00 0.00 55.73 54.04 2f2f s ARG 145 Cb -0.13 0.27 0.08 0.00 -0.57 0.00 0.00 34.95 34.60 2f2f s ARG 145 CO -0.03 -0.23 -0.03 -1.17 -1.08 0.00 0.00 175.30 172.76 2f2f s LEU 146 N -2.95 4.04 0.02 -1.89 2.96 -1.26 -0.01 118.68 119.59 2f2f s LEU 146 Ca 0.13 -1.72 0.06 0.00 -0.22 0.00 0.00 54.13 52.38 2f2f s LEU 146 Cb 0.07 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 2f2f s LEU 146 CO -0.06 -0.28 -0.19 -1.83 -1.32 0.00 0.00 176.35 172.68 2f2f s GLU 147 N 1.02 1.35 0.20 1.98 -1.05 -0.53 -4.89 118.70 116.78 2f2f s GLU 147 Ca -0.00 -0.79 -0.33 0.00 -0.15 0.00 0.00 54.97 53.70 2f2f s GLU 147 Cb -0.20 -1.38 -0.13 0.00 -0.44 0.00 0.00 34.13 31.98 2f2f s GLU 147 CO -0.06 0.36 1.53 -2.30 0.95 0.00 0.00 175.26 175.75 2f2f n PRO 148 N 2.19 2.19 -0.20 -4.83 -0.02 -1.26 -1.09 135.00 131.98 2f2f n PRO 148 Ca -0.16 0.79 0.09 0.00 -2.02 0.00 0.00 63.50 62.19 2f2f n PRO 148 Cb 0.54 -2.53 0.15 0.00 -0.02 0.00 0.00 33.50 31.64 2f2f n PRO 148 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2f2f n GLY 150 N -1.32 -3.00 0.09 0.00 0.00 -1.26 -4.64 105.19 95.05 2f2f n GLY 150 Ca 0.16 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 2f2f n GLY 150 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2f2f h ILE 151 N 0.00 1.53 -3.16 -0.61 -2.65 -1.99 -3.47 117.51 107.17 2f2f h ILE 151 Ca 0.00 -3.17 -0.14 0.00 1.03 0.00 0.00 64.86 62.58 2f2f h ILE 151 Cb 0.00 2.87 -0.22 0.00 -2.05 0.00 0.00 36.82 37.43 2f2f h ILE 151 CO 0.00 0.91 -0.36 -0.55 0.03 0.00 0.00 178.15 178.18 2f2f s SER 152 N -6.92 -0.17 0.00 2.16 0.15 -1.26 -4.96 113.70 102.69 2f2f s SER 152 Ca -0.02 0.16 0.16 0.00 0.70 0.00 0.00 55.95 56.95 2f2f s SER 152 Cb 0.08 0.37 -0.07 0.00 -1.71 0.00 0.00 66.02 64.69 2f2f s SER 152 CO 0.85 -0.32 0.77 1.33 1.20 0.00 0.00 173.24 177.08 2f2f n VAL 153 N 1.83 0.00 -1.59 4.45 0.24 -1.26 -4.95 118.33 117.04 2f2f n VAL 153 Ca -0.19 -0.25 -0.50 0.00 -2.04 0.00 0.00 64.34 61.36 2f2f n VAL 153 Cb 0.56 1.11 -0.05 0.00 -1.47 0.00 0.00 33.84 34.00 2f2f n VAL 153 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2f2f n SER 154 N -0.62 1.62 0.00 -1.34 7.64 -1.26 -1.52 113.62 118.13 2f2f n SER 154 Ca 0.05 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2f2f n SER 154 Cb 0.30 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2f2f n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f2f n GLY 155 N 2.30 1.96 3.88 0.23 0.00 -1.26 -4.99 105.19 107.31 2f2f n GLY 155 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2f2f n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f2f s ARG 156 N -0.01 3.79 -0.05 1.61 0.52 -0.58 -5.08 118.95 119.15 2f2f s ARG 156 Ca 0.00 0.34 0.03 0.00 -0.52 0.00 0.00 55.73 55.58 2f2f s ARG 156 Cb 0.00 -2.53 -0.03 0.00 0.52 0.00 0.00 34.95 32.91 2f2f s ARG 156 CO 0.00 0.16 -0.12 0.95 0.02 0.00 0.00 175.30 176.31 2f2f s THR 157 N -2.07 3.27 0.18 0.02 -4.23 -1.26 -5.06 115.64 106.49 2f2f s THR 157 Ca 0.49 -0.65 0.07 0.00 -1.18 0.00 0.00 61.69 60.43 2f2f s THR 157 Cb -0.11 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 2f2f s THR 157 CO 0.25 0.59 -0.15 -0.36 -0.54 0.00 0.00 174.62 174.42 2f2f s PHE 158 N -0.76 1.65 0.74 3.99 0.08 -1.26 -5.15 117.98 117.27 2f2f s PHE 158 Ca 0.12 -0.57 -0.09 0.00 0.12 0.00 0.00 56.93 56.51 2f2f s PHE 158 Cb -0.11 -0.79 0.06 0.00 -0.57 0.00 0.00 43.02 41.61 2f2f s PHE 158 CO 0.01 0.30 1.08 -1.54 -0.10 0.00 0.00 175.22 174.97 2f2f s SER 159 N -3.08 4.77 0.58 1.36 1.04 -1.26 -4.95 113.70 112.17 2f2f s SER 159 Ca 0.19 0.65 0.29 0.00 0.48 0.00 0.00 55.95 57.55 2f2f s SER 159 Cb -0.02 -1.26 1.50 0.00 0.10 0.00 0.00 66.02 66.34 2f2f s SER 159 CO 0.06 -1.68 1.94 -0.07 0.98 0.00 0.00 173.24 174.47 2f2f h LEU 160 N -0.77 0.00 -1.46 2.42 3.38 -1.95 -1.85 115.31 115.09 2f2f h LEU 160 Ca -0.45 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.63 2f2f h LEU 160 Cb 1.31 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 2f2f h LEU 160 CO 0.63 0.00 0.49 0.00 0.09 0.00 0.00 178.44 179.65 2f2f h ALA 161 N 1.54 1.90 -0.00 1.53 0.00 -1.93 -1.14 119.26 121.16 2f2f h ALA 161 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2f2f h ALA 161 Cb 1.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2f2f h ALA 161 CO -0.00 -0.07 -0.40 0.66 0.00 0.00 0.00 179.25 179.44 2f2f n TYR 162 N -4.50 0.00 -3.57 0.00 4.01 -0.70 -1.72 117.16 110.68 2f2f n TYR 162 Ca 0.13 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.49 2f2f n TYR 162 Cb 0.39 -0.20 -0.06 0.00 -0.31 0.00 0.00 39.34 39.16 2f2f n TYR 162 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2f2f s GLN 163 N -2.80 3.86 0.05 -0.72 -0.21 -0.43 -4.37 119.66 115.03 2f2f s GLN 163 Ca 0.16 0.28 0.07 0.00 0.02 0.00 0.00 55.36 55.89 2f2f s GLN 163 Cb 0.18 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.93 2f2f s GLN 163 CO 0.63 0.66 -0.19 -1.58 -2.12 0.00 0.00 175.29 172.69 2f2f s TRP 164 N -0.89 1.63 -0.14 0.91 0.52 0.63 -0.70 118.94 120.91 2f2f s TRP 164 Ca 0.21 -0.38 -0.00 0.00 0.02 0.00 0.00 56.10 55.95 2f2f s TRP 164 Cb -0.15 -0.96 -0.01 0.00 -1.15 0.00 0.00 33.47 31.19 2f2f s TRP 164 CO 0.11 0.09 -0.13 0.20 0.02 0.00 0.00 176.95 177.24 2f2f s GLY 165 N -1.29 1.54 -0.70 0.98 0.00 0.37 -0.41 107.32 107.81 2f2f s GLY 165 Ca 0.05 -0.93 -0.18 0.00 0.00 0.00 0.00 44.72 43.67 2f2f s GLY 165 CO 0.02 -0.12 0.77 -0.42 0.00 0.00 0.00 173.10 173.36 2f2f s ILE 166 N 0.49 5.02 0.47 0.90 1.01 -1.26 -1.95 121.20 125.88 2f2f s ILE 166 Ca -0.09 -1.48 0.05 0.00 0.00 0.00 0.00 60.65 59.13 2f2f s ILE 166 Cb -0.16 -4.52 -0.03 0.00 0.01 0.00 0.00 42.46 37.76 2f2f s ILE 166 CO 0.04 -1.15 0.14 -0.76 0.00 0.00 0.00 174.94 173.21 2f2f s LEU 167 N 2.02 2.75 0.61 2.97 1.43 -0.73 -4.94 118.68 122.79 2f2f s LEU 167 Ca 0.16 -1.33 -0.18 0.00 -1.03 0.00 0.00 54.13 51.74 2f2f s LEU 167 Cb -0.18 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 2f2f s LEU 167 CO -0.00 -0.73 1.03 -2.65 0.23 0.00 0.00 176.35 174.23 2f2f n PRO 168 N -1.30 0.94 -1.94 1.29 -0.02 -1.26 -0.90 135.00 131.80 2f2f n PRO 168 Ca -0.07 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 2f2f n PRO 168 Cb 0.66 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 2f2f n PRO 168 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2f2f s PRO 169 N -2.89 4.20 0.26 0.52 0.04 -1.26 -3.99 135.00 131.88 2f2f s PRO 169 Ca 0.77 2.31 -0.31 0.00 0.04 0.00 0.00 61.00 63.82 2f2f s PRO 169 Cb -0.41 -3.59 -0.13 0.00 0.04 0.00 0.00 34.50 30.41 2f2f s PRO 169 CO 0.46 -0.72 1.43 0.34 0.04 0.00 0.00 177.00 178.55 2f2f n PHE 170 N 5.57 2.32 -0.17 0.56 7.35 -1.26 -4.79 117.46 127.04 2f2f n PHE 170 Ca 0.16 0.41 0.00 0.00 -0.76 0.00 0.00 57.45 57.25 2f2f n PHE 170 Cb 0.41 -2.48 0.00 0.00 0.35 0.00 0.00 39.48 37.75 2f2f n PHE 170 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2f2f n GLY 171 N 2.01 0.79 3.89 7.13 0.00 -1.26 -4.76 105.19 112.99 2f2f n GLY 171 Ca 0.10 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 2f2f n GLY 171 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2f2f s PRO 172 N -2.00 2.75 -0.02 1.61 0.04 -1.26 -5.09 135.00 131.02 2f2f s PRO 172 Ca 0.00 0.30 -0.29 0.00 0.04 0.00 0.00 61.00 61.05 2f2f s PRO 172 Cb 0.00 -2.07 0.10 0.00 0.04 0.00 0.00 34.50 32.57 2f2f s PRO 172 CO 0.00 -1.04 0.89 -1.54 0.04 0.00 0.00 177.00 175.35 2f2f s SER 173 N -4.38 -0.38 -0.02 6.66 1.04 -1.26 -5.09 113.70 110.27 2f2f s SER 173 Ca 0.58 0.06 0.07 0.00 0.48 0.00 0.00 55.95 57.15 2f2f s SER 173 Cb -0.11 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2f2f s SER 173 CO 0.50 -0.60 -0.24 -0.75 0.98 0.00 0.00 173.24 173.13 2f2f s LYS 174 N -2.86 2.17 0.14 4.02 2.20 -1.26 -5.10 119.74 119.05 2f2f s LYS 174 Ca 0.04 -0.90 -0.31 0.00 -0.36 0.00 0.00 55.97 54.44 2f2f s LYS 174 Cb -0.01 -2.09 -0.09 0.00 -1.51 0.00 0.00 37.83 34.14 2f2f s LYS 174 CO -0.07 0.57 1.42 0.42 -0.36 0.00 0.00 175.35 177.32 2f2f s ILE 175 N -0.62 3.13 -0.14 5.43 1.01 -1.26 -4.96 121.20 123.78 2f2f s ILE 175 Ca 0.10 0.83 -0.27 0.00 0.00 0.00 0.00 60.65 61.32 2f2f s ILE 175 Cb -0.10 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 2f2f s ILE 175 CO -0.01 0.07 0.88 -0.76 0.00 0.00 0.00 174.94 175.13 2f2f s LEU 176 N 0.90 4.21 -0.12 2.97 1.43 -1.26 -5.04 118.68 121.76 2f2f s LEU 176 Ca 0.64 1.29 -0.03 0.00 -1.03 0.00 0.00 54.13 55.01 2f2f s LEU 176 Cb -0.38 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2f2f s LEU 176 CO 0.32 -0.40 -0.03 -0.60 0.23 0.00 0.00 176.35 175.87 2f2f s ARG 177 N 2.01 3.36 0.00 1.70 6.06 -1.26 -5.36 118.95 125.46 2f2f s ARG 177 Ca 0.41 -0.49 0.22 0.00 -2.50 0.00 0.00 55.73 53.37 2f2f s ARG 177 Cb -0.17 -2.84 1.31 0.00 0.06 0.00 0.00 34.95 33.31 2f2f s ARG 177 CO 0.14 0.43 1.69 -0.35 -2.50 0.00 0.00 175.30 174.71