#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5t s LYS 2 N 0.00 4.33 -0.18 0.03 1.02 -1.26 -5.06 119.74 118.62 2k5t s LYS 2 Ca 0.00 0.76 -0.14 0.00 0.02 0.00 0.00 55.97 56.61 2k5t s LYS 2 Cb 0.00 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 2k5t s LYS 2 CO 0.00 0.37 0.33 -1.17 -0.92 0.00 0.00 175.35 173.95 2k5t s LEU 3 N -0.20 4.20 -0.78 3.17 2.96 -1.26 -4.97 118.68 121.80 2k5t s LEU 3 Ca 0.32 0.48 -0.20 0.00 -0.22 0.00 0.00 54.13 54.50 2k5t s LEU 3 Cb -0.18 -2.41 0.10 0.00 0.50 0.00 0.00 46.19 44.20 2k5t s LEU 3 CO 0.18 0.02 1.00 -0.89 -1.32 0.00 0.00 176.35 175.35 2k5t s THR 4 N 0.86 4.58 -0.19 3.68 2.01 -1.19 -4.98 115.64 120.41 2k5t s THR 4 Ca 0.17 -1.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.07 2k5t s THR 4 Cb -0.14 -4.70 -0.04 0.00 0.01 0.00 0.00 72.50 67.63 2k5t s THR 4 CO 0.06 -1.44 0.07 0.27 -0.69 0.00 0.00 174.62 172.89 2k5t s ILE 5 N 3.22 4.82 0.09 1.82 -0.00 -1.26 0.03 121.20 129.93 2k5t s ILE 5 Ca 0.26 -0.02 0.05 0.00 -0.00 0.00 0.00 60.65 60.94 2k5t s ILE 5 Cb -0.12 -3.18 -0.03 0.00 -0.00 0.00 0.00 42.46 39.12 2k5t s ILE 5 CO 0.00 0.45 -0.14 0.27 -0.00 0.00 0.00 174.94 175.52 2k5t s ILE 6 N 0.48 1.20 0.05 8.37 -0.00 -0.44 -4.93 121.20 125.93 2k5t s ILE 6 Ca 0.04 -1.48 -0.30 0.00 -0.00 0.00 0.00 60.65 58.91 2k5t s ILE 6 Cb -0.13 -1.26 -0.05 0.00 -0.00 0.00 0.00 42.46 41.02 2k5t s ILE 6 CO 0.01 -0.30 1.15 0.00 -0.00 0.00 0.00 174.94 175.80 2k5t s ARG 7 N -2.13 4.46 -1.22 0.37 1.70 -1.26 -0.81 118.95 120.06 2k5t s ARG 7 Ca 0.02 1.70 -0.08 0.00 -0.47 0.00 0.00 55.73 56.91 2k5t s ARG 7 Cb -0.08 -3.37 -0.08 0.00 -0.57 0.00 0.00 34.95 30.86 2k5t s ARG 7 CO 0.02 -0.21 2.60 -0.11 -1.08 0.00 0.00 175.30 176.53 2k5t n LEU 8 N 3.87 6.86 0.03 -1.89 7.94 0.31 -4.25 117.00 129.87 2k5t n LEU 8 Ca 0.08 -3.63 0.12 0.00 -1.11 0.00 0.00 56.01 51.47 2k5t n LEU 8 Cb 0.47 -1.34 0.11 0.00 0.53 0.00 0.00 43.42 43.20 2k5t n LEU 8 CO 0.55 1.41 0.20 1.21 -1.11 0.00 0.00 177.39 179.65 2k5t n GLU 9 N 3.78 0.24 -3.83 1.96 2.13 -1.26 -4.68 120.64 118.98 2k5t n GLU 9 Ca 0.61 0.03 -0.36 0.00 0.66 0.00 0.00 57.16 58.11 2k5t n GLU 9 Cb 0.22 -1.61 -0.13 0.00 0.27 0.00 0.00 31.44 30.19 2k5t n GLU 9 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2k5t s LYS 10 N -3.15 2.36 -1.14 5.31 1.02 -1.26 -5.03 119.74 117.85 2k5t s LYS 10 Ca 0.06 -1.40 -0.16 0.00 0.02 0.00 0.00 55.97 54.49 2k5t s LYS 10 Cb 0.14 -3.36 0.15 0.00 -0.52 0.00 0.00 37.83 34.24 2k5t s LYS 10 CO 0.76 -0.76 1.39 -0.06 -0.92 0.00 0.00 175.35 175.75 2k5t s PHE 11 N 1.26 3.31 0.34 3.18 0.40 -1.26 -4.95 117.98 120.25 2k5t s PHE 11 Ca -0.01 -1.86 -0.15 0.00 -0.60 0.00 0.00 56.93 54.32 2k5t s PHE 11 Cb -0.21 -4.36 -0.09 0.00 0.51 0.00 0.00 43.02 38.88 2k5t s PHE 11 CO -0.01 -1.47 0.75 -1.12 0.70 0.00 0.00 175.22 174.06 2k5t s SER 12 N 3.23 6.75 0.38 1.36 0.01 -1.26 -4.93 113.70 119.23 2k5t s SER 12 Ca 0.41 1.27 0.07 0.00 1.31 0.00 0.00 55.95 59.02 2k5t s SER 12 Cb -0.03 -2.37 0.79 0.00 0.21 0.00 0.00 66.02 64.62 2k5t s SER 12 CO -0.02 -0.23 1.97 0.44 0.41 0.00 0.00 173.24 175.81 2k5t h ASP 13 N 2.12 0.61 -0.04 2.44 5.19 -1.98 0.94 116.42 125.70 2k5t h ASP 13 Ca -0.48 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 55.97 2k5t h ASP 13 Cb 1.18 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 40.50 2k5t h ASP 13 CO 0.65 0.39 -0.35 -0.61 -3.12 0.00 0.00 179.24 176.21 2k5t h GLN 14 N 0.69 -0.46 -0.41 3.56 4.15 -1.99 -1.29 115.11 119.36 2k5t h GLN 14 Ca 0.29 0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.62 2k5t h GLN 14 Cb 0.27 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2k5t h GLN 14 CO -0.09 -0.31 -0.22 -0.44 -1.93 0.00 0.00 178.83 175.84 2k5t h ASP 15 N -0.48 0.90 -0.85 -0.69 3.32 -1.73 -2.66 116.42 114.23 2k5t h ASP 15 Ca 0.07 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 2k5t h ASP 15 Cb 0.58 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 2k5t h ASP 15 CO -0.30 1.11 0.50 0.03 -1.72 0.00 0.00 179.24 178.86 2k5t h ARG 16 N 0.68 1.18 -0.31 3.56 3.08 -0.62 0.27 114.38 122.22 2k5t h ARG 16 Ca 0.09 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 2k5t h ARG 16 Cb 0.78 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2k5t h ARG 16 CO 0.06 0.84 -0.35 0.82 -1.07 0.00 0.00 179.97 180.27 2k5t h ILE 17 N 1.19 1.29 -0.33 2.04 2.04 -1.22 -2.41 117.51 120.11 2k5t h ILE 17 Ca 0.31 -1.53 -0.06 0.00 1.00 0.00 0.00 64.86 64.58 2k5t h ILE 17 Cb -0.02 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2k5t h ILE 17 CO -0.05 0.50 -0.04 -0.78 0.00 0.00 0.00 178.15 177.77 2k5t h ASP 18 N 0.55 0.50 -0.79 1.72 3.58 -1.02 -1.10 116.42 119.86 2k5t h ASP 18 Ca 0.04 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 2k5t h ASP 18 Cb 0.94 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.82 2k5t h ASP 18 CO 0.09 0.59 0.37 -0.07 -2.88 0.00 0.00 179.24 177.34 2k5t h LEU 19 N 0.50 1.04 -0.03 2.28 3.38 -0.38 -1.24 115.31 120.85 2k5t h LEU 19 Ca 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k5t h LEU 19 Cb 0.38 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2k5t h LEU 19 CO 0.02 0.88 0.00 0.00 0.09 0.00 0.00 178.44 179.43 2k5t n GLN 20 N -4.31 0.02 0.11 1.13 6.02 -0.52 -0.61 117.38 119.22 2k5t n GLN 20 Ca 0.08 0.14 0.06 0.00 -0.01 0.00 0.00 57.00 57.27 2k5t n GLN 20 Cb 0.15 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.88 2k5t n GLN 20 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2k5t h LYS 21 N 0.00 0.00 0.09 -1.09 1.57 -0.15 -3.33 116.57 113.66 2k5t h LYS 21 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2k5t h LYS 21 Cb 0.39 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.72 2k5t h LYS 21 CO 0.00 0.20 -0.59 0.82 -0.57 0.00 0.00 179.45 179.31 2k5t h ILE 22 N 0.00 1.57 -3.58 1.86 2.04 -0.32 -3.42 117.51 115.66 2k5t h ILE 22 Ca -0.05 -2.42 -0.71 0.00 1.00 0.00 0.00 64.86 62.68 2k5t h ILE 22 Cb 1.27 3.16 -0.28 0.00 -0.74 0.00 0.00 36.82 40.24 2k5t h ILE 22 CO 0.03 0.67 -0.54 0.26 0.00 0.00 0.00 178.15 178.57 2k5t s TRP 23 N -2.50 3.29 0.17 1.37 0.51 0.22 -5.02 118.94 116.98 2k5t s TRP 23 Ca -0.15 -1.38 -0.18 0.00 -2.12 0.00 0.00 56.10 52.27 2k5t s TRP 23 Cb 0.00 -2.56 0.11 0.00 -0.81 0.00 0.00 33.47 30.22 2k5t s TRP 23 CO 0.80 -0.76 1.25 -2.30 -0.51 0.00 0.00 176.95 175.43 2k5t n PRO 24 N 4.88 -0.25 -3.34 4.98 -0.02 -1.25 -3.40 135.00 136.61 2k5t n PRO 24 Ca -0.11 1.23 -0.20 0.00 -2.02 0.00 0.00 63.50 62.40 2k5t n PRO 24 Cb 0.44 -1.83 -0.08 0.00 -0.02 0.00 0.00 33.50 32.02 2k5t n PRO 24 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2k5t s GLU 25 N -5.64 0.71 -0.14 -0.52 2.12 -1.26 -4.82 118.70 109.14 2k5t s GLU 25 Ca -0.11 -1.20 -0.08 0.00 0.36 0.00 0.00 54.97 53.94 2k5t s GLU 25 Cb 0.14 -0.91 -0.04 0.00 0.26 0.00 0.00 34.13 33.58 2k5t s GLU 25 CO 0.55 -1.25 0.14 -0.47 -0.54 0.00 0.00 175.26 173.69 2k5t s TYR 26 N 1.06 3.55 -0.11 5.30 5.04 -1.22 -5.07 117.35 125.91 2k5t s TYR 26 Ca 0.21 0.48 -0.30 0.00 -2.44 0.00 0.00 57.07 55.03 2k5t s TYR 26 Cb -0.12 -1.99 -0.03 0.00 0.35 0.00 0.00 41.96 40.17 2k5t s TYR 26 CO -0.05 0.63 1.28 -1.54 -1.34 0.00 0.00 175.55 174.53 2k5t s SER 27 N -0.70 6.95 0.00 4.32 1.04 -1.26 -4.91 113.70 119.15 2k5t s SER 27 Ca 0.13 1.81 0.19 0.00 0.48 0.00 0.00 55.95 58.56 2k5t s SER 27 Cb -0.12 -2.55 1.00 0.00 0.10 0.00 0.00 66.02 64.46 2k5t s SER 27 CO 0.03 -0.71 1.57 -0.81 0.98 0.00 0.00 173.24 174.30 2k5t n PRO 28 N 6.07 0.35 0.17 4.02 -0.04 -1.26 -3.15 135.00 141.16 2k5t n PRO 28 Ca 0.13 0.08 0.03 0.00 -0.04 0.00 0.00 63.50 63.71 2k5t n PRO 28 Cb 0.45 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.83 2k5t n PRO 28 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k5t h SER 29 N 0.00 0.09 -0.26 3.54 0.02 -2.06 -2.41 113.55 112.47 2k5t h SER 29 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2k5t h SER 29 Cb 0.13 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2k5t h SER 29 CO 0.00 0.32 0.00 -1.20 -1.14 0.00 0.00 176.83 174.81 2k5t n SER 30 N -4.24 2.42 -4.54 3.07 7.64 -1.19 -4.71 113.62 112.07 2k5t n SER 30 Ca -0.02 -1.84 -0.42 0.00 1.01 0.00 0.00 58.87 57.60 2k5t n SER 30 Cb 0.30 -0.17 -0.02 0.00 -1.01 0.00 0.00 64.21 63.32 2k5t n SER 30 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2k5t s LEU 31 N -1.52 3.90 -0.23 -3.43 1.43 -0.91 -4.90 118.68 113.02 2k5t s LEU 31 Ca 0.34 -1.91 -0.03 0.00 -1.03 0.00 0.00 54.13 51.50 2k5t s LEU 31 Cb 0.19 -2.54 0.08 0.00 0.03 0.00 0.00 46.19 43.95 2k5t s LEU 31 CO 0.28 -1.30 0.07 -1.58 0.23 0.00 0.00 176.35 174.05 2k5t s GLN 32 N 4.24 0.51 -0.13 1.70 2.00 -1.26 -5.09 119.66 121.62 2k5t s GLN 32 Ca 0.46 -0.54 -0.10 0.00 -2.00 0.00 0.00 55.36 53.18 2k5t s GLN 32 Cb 0.00 -1.88 -0.05 0.00 0.80 0.00 0.00 33.01 31.89 2k5t s GLN 32 CO -0.04 -0.79 0.21 0.08 -0.50 0.00 0.00 175.29 174.25 2k5t s VAL 33 N 1.89 5.37 0.14 1.34 1.01 -1.26 -4.86 120.40 124.02 2k5t s VAL 33 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2k5t s VAL 33 Cb -0.17 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 2k5t s VAL 33 CO -0.17 0.53 0.17 -0.90 0.00 0.00 0.00 175.10 174.73 2k5t n ASP 34 N 2.60 -0.47 0.29 3.32 5.75 -0.31 -4.98 116.55 122.75 2k5t n ASP 34 Ca -0.17 -1.79 0.18 0.00 -0.01 0.00 0.00 54.79 53.01 2k5t n ASP 34 Cb 0.53 0.92 0.87 0.00 -1.03 0.00 0.00 41.12 42.42 2k5t n ASP 34 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2k5t h ASP 35 N 0.80 0.00 0.00 -1.12 3.58 -2.00 -3.14 116.42 114.54 2k5t h ASP 35 Ca -0.10 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.21 2k5t h ASP 35 Cb 0.48 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 2k5t h ASP 35 CO 0.14 0.03 -1.09 0.59 -2.88 0.00 0.00 179.24 176.03 2k5t n ASN 36 N -3.19 1.87 -4.50 2.28 3.02 -1.26 -4.75 115.26 108.72 2k5t n ASN 36 Ca -0.01 0.48 -0.42 0.00 -0.03 0.00 0.00 54.58 54.60 2k5t n ASN 36 Cb 0.22 -0.87 -0.03 0.00 -0.61 0.00 0.00 39.78 38.48 2k5t n ASN 36 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2k5t s HIS 37 N -2.43 2.55 -0.22 3.10 3.76 -1.19 -0.05 115.29 120.80 2k5t s HIS 37 Ca -0.25 -0.46 -0.05 0.00 -0.15 0.00 0.00 55.06 54.15 2k5t s HIS 37 Cb 0.05 -4.46 -0.02 0.00 1.11 0.00 0.00 32.58 29.26 2k5t s HIS 37 CO 0.40 -1.83 0.01 1.03 -0.85 0.00 0.00 174.74 173.50 2k5t s ARG 38 N 4.68 3.54 -0.34 1.40 0.52 -0.62 -1.16 118.95 126.97 2k5t s ARG 38 Ca 0.30 -0.54 -0.14 0.00 -0.52 0.00 0.00 55.73 54.83 2k5t s ARG 38 Cb -0.11 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 2k5t s ARG 38 CO 0.08 -0.13 0.29 0.42 0.02 0.00 0.00 175.30 175.98 2k5t s ILE 39 N 1.39 5.24 -0.24 1.52 1.01 -1.26 -0.79 121.20 128.07 2k5t s ILE 39 Ca 0.05 -0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.43 2k5t s ILE 39 Cb -0.15 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 2k5t s ILE 39 CO 0.01 -0.04 0.43 -0.31 0.00 0.00 0.00 174.94 175.03 2k5t s TYR 40 N 1.84 3.31 -0.21 3.97 1.51 0.32 -0.53 117.35 127.55 2k5t s TYR 40 Ca 0.08 0.57 -0.06 0.00 -1.01 0.00 0.00 57.07 56.66 2k5t s TYR 40 Cb -0.17 -2.60 -0.02 0.00 -0.11 0.00 0.00 41.96 39.06 2k5t s TYR 40 CO 0.11 -0.15 0.01 0.00 -1.11 0.00 0.00 175.55 174.42 2k5t s ALA 41 N 1.81 3.05 -0.61 3.71 0.00 0.01 -1.72 121.76 128.01 2k5t s ALA 41 Ca 0.19 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 50.91 2k5t s ALA 41 Cb -0.15 -1.84 0.09 0.00 0.00 0.00 0.00 23.12 21.21 2k5t s ALA 41 CO 0.09 -0.24 0.81 0.00 0.00 0.00 0.00 175.76 176.42 2k5t s ALA 42 N 1.16 3.29 -0.34 0.00 0.00 0.11 -1.33 121.76 124.65 2k5t s ALA 42 Ca 0.03 -2.03 -0.17 0.00 0.00 0.00 0.00 51.96 49.79 2k5t s ALA 42 Cb -0.14 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 2k5t s ALA 42 CO 0.02 -2.51 0.45 0.50 0.00 0.00 0.00 175.76 174.22 2k5t s ARG 43 N 3.26 3.64 -0.89 0.00 3.52 0.10 -0.37 118.95 128.22 2k5t s ARG 43 Ca 0.16 -0.22 -0.15 0.00 -0.13 0.00 0.00 55.73 55.39 2k5t s ARG 43 Cb -0.21 -3.79 0.20 0.00 -1.56 0.00 0.00 34.95 29.60 2k5t s ARG 43 CO 0.08 -0.56 0.91 0.12 -0.81 0.00 0.00 175.30 175.04 2k5t s PHE 44 N 2.23 3.67 0.00 5.12 5.36 0.25 -3.19 117.98 131.41 2k5t s PHE 44 Ca 0.16 -1.94 0.00 0.00 -0.96 0.00 0.00 56.93 54.19 2k5t s PHE 44 Cb -0.16 -3.94 0.00 0.00 -0.34 0.00 0.00 43.02 38.58 2k5t s PHE 44 CO 0.12 -1.11 0.00 -1.71 -1.46 0.00 0.00 175.22 171.06 2k5t n ASN 45 N 4.47 0.00 -0.07 6.13 5.15 -1.26 -3.65 115.26 126.03 2k5t n ASN 45 Ca 0.18 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 54.01 2k5t n ASN 45 Cb 0.47 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.67 2k5t n ASN 45 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2k5t n GLU 46 N 0.00 0.32 -4.53 1.20 0.28 -1.26 -5.10 120.64 111.55 2k5t n GLU 46 Ca 0.00 0.14 -0.25 0.00 -0.16 0.00 0.00 57.16 56.89 2k5t n GLU 46 Cb 0.00 -1.03 -0.09 0.00 1.43 0.00 0.00 31.44 31.74 2k5t n GLU 46 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 2k5t s ARG 47 N -2.30 1.84 -0.43 3.44 1.70 -1.24 -5.07 118.95 116.89 2k5t s ARG 47 Ca -0.20 -2.08 -0.24 0.00 -0.47 0.00 0.00 55.73 52.73 2k5t s ARG 47 Cb 0.07 -0.93 0.02 0.00 -0.57 0.00 0.00 34.95 33.54 2k5t s ARG 47 CO 0.26 -0.30 0.83 -0.51 -1.08 0.00 0.00 175.30 174.50 2k5t s LEU 48 N -3.60 4.14 -0.02 -1.89 1.43 -1.26 -0.58 118.68 116.90 2k5t s LEU 48 Ca 0.28 0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.56 2k5t s LEU 48 Cb 0.06 -3.06 -0.23 0.00 0.03 0.00 0.00 46.19 42.99 2k5t s LEU 48 CO 0.14 -0.91 0.75 -0.07 0.23 0.00 0.00 176.35 176.49 2k5t h LEU 49 N 10.16 0.07 -8.10 1.79 4.07 -1.07 -3.46 115.31 118.77 2k5t h LEU 49 Ca -0.24 -0.13 -0.54 0.00 0.08 0.00 0.00 57.88 57.04 2k5t h LEU 49 Cb 1.08 -0.02 -0.33 0.00 1.08 0.00 0.00 40.66 42.48 2k5t h LEU 49 CO 0.97 1.12 -0.83 0.00 -1.08 0.00 0.00 178.44 178.62 2k5t s ALA 50 N -2.61 1.42 -0.19 1.53 0.00 -1.08 -1.59 121.76 119.24 2k5t s ALA 50 Ca -0.06 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.35 2k5t s ALA 50 Cb 0.08 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.68 2k5t s ALA 50 CO 0.82 0.19 -0.11 0.00 0.00 0.00 0.00 175.76 176.65 2k5t s ALA 51 N 0.40 1.99 -0.03 0.00 0.00 -0.53 0.06 121.76 123.65 2k5t s ALA 51 Ca -0.11 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 50.74 2k5t s ALA 51 Cb -0.14 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 2k5t s ALA 51 CO 0.04 -0.71 -0.16 0.54 0.00 0.00 0.00 175.76 175.46 2k5t s VAL 52 N 1.41 1.35 -0.26 0.00 0.11 -0.70 -1.52 120.40 120.79 2k5t s VAL 52 Ca 0.00 -0.69 -0.04 0.00 -2.93 0.00 0.00 61.98 58.32 2k5t s VAL 52 Cb -0.15 -1.15 0.01 0.00 -1.53 0.00 0.00 36.38 33.56 2k5t s VAL 52 CO -0.09 0.39 0.00 -0.13 -3.33 0.00 0.00 175.10 171.94 2k5t s ARG 53 N -0.06 3.02 -0.38 1.54 0.52 0.11 -0.52 118.95 123.17 2k5t s ARG 53 Ca -0.01 -0.87 -0.09 0.00 -0.52 0.00 0.00 55.73 54.24 2k5t s ARG 53 Cb -0.10 -3.16 0.06 0.00 0.52 0.00 0.00 34.95 32.27 2k5t s ARG 53 CO 0.01 -0.39 0.20 0.54 0.02 0.00 0.00 175.30 175.68 2k5t s VAL 54 N 1.42 4.15 -0.52 3.52 0.11 0.03 -2.05 120.40 127.06 2k5t s VAL 54 Ca 0.02 -1.21 -0.23 0.00 -2.93 0.00 0.00 61.98 57.62 2k5t s VAL 54 Cb -0.17 -3.44 0.04 0.00 -1.53 0.00 0.00 36.38 31.28 2k5t s VAL 54 CO -0.01 -0.35 0.88 -0.89 -3.33 0.00 0.00 175.10 171.39 2k5t s THR 55 N 1.44 4.50 -0.62 5.04 2.01 0.14 -1.58 115.64 126.57 2k5t s THR 55 Ca 0.01 0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.99 2k5t s THR 55 Cb -0.21 -4.47 0.03 0.00 0.01 0.00 0.00 72.50 67.87 2k5t s THR 55 CO 0.03 -0.99 1.19 -0.76 -0.69 0.00 0.00 174.62 173.41 2k5t s LEU 56 N 3.67 3.45 -0.43 4.42 1.43 0.92 -0.33 118.68 131.80 2k5t s LEU 56 Ca 0.29 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 2k5t s LEU 56 Cb -0.13 -2.98 0.06 0.00 0.03 0.00 0.00 46.19 43.17 2k5t s LEU 56 CO 0.20 -1.55 0.31 -0.55 0.23 0.00 0.00 176.35 174.98 2k5t s SER 57 N 3.15 5.89 0.31 2.29 0.15 0.80 -4.70 113.70 121.60 2k5t s SER 57 Ca 0.40 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.75 2k5t s SER 57 Cb -0.08 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2k5t s SER 57 CO 0.22 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2k5t n GLY 58 N 5.06 1.29 0.00 9.45 0.00 -1.26 -1.47 105.19 118.26 2k5t n GLY 58 Ca -0.11 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2k5t n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k5t n THR 59 N 0.00 0.16 -4.20 2.61 -2.24 -1.26 -5.06 114.28 104.29 2k5t n THR 59 Ca 0.00 -0.37 -0.35 0.00 -2.27 0.00 0.00 64.05 61.06 2k5t n THR 59 Cb 0.00 1.22 -0.08 0.00 -2.10 0.00 0.00 70.33 69.37 2k5t n THR 59 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2k5t s GLU 60 N -0.16 3.09 -0.37 -0.78 0.41 -0.54 -4.20 118.70 116.15 2k5t s GLU 60 Ca 0.00 -0.38 -0.13 0.00 -0.41 0.00 0.00 54.97 54.05 2k5t s GLU 60 Cb 0.00 -2.89 0.01 0.00 -1.78 0.00 0.00 34.13 29.47 2k5t s GLU 60 CO 0.00 0.70 0.25 0.20 -0.49 0.00 0.00 175.26 175.92 2k5t s GLY 61 N -1.16 1.97 -0.35 -1.39 0.00 -1.21 -0.14 107.32 105.04 2k5t s GLY 61 Ca 0.16 -1.58 -0.10 0.00 0.00 0.00 0.00 44.72 43.21 2k5t s GLY 61 CO 0.06 0.84 0.17 0.00 0.00 0.00 0.00 173.10 174.17 2k5t s ALA 62 N 1.67 3.24 -0.42 3.20 0.00 0.55 -0.29 121.76 129.70 2k5t s ALA 62 Ca 0.05 -1.63 -0.19 0.00 0.00 0.00 0.00 51.96 50.19 2k5t s ALA 62 Cb -0.18 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.48 2k5t s ALA 62 CO 0.09 -1.24 0.57 -0.51 0.00 0.00 0.00 175.76 174.67 2k5t s LEU 63 N 1.55 4.58 -0.18 0.00 1.02 0.16 0.26 118.68 126.07 2k5t s LEU 63 Ca 0.02 -0.39 0.05 0.00 0.02 0.00 0.00 54.13 53.84 2k5t s LEU 63 Cb -0.19 -2.61 -0.22 0.00 0.02 0.00 0.00 46.19 43.19 2k5t s LEU 63 CO 0.06 -0.68 0.13 -0.90 0.02 0.00 0.00 176.35 174.97 2k5t n ASP 64 N 6.00 1.39 -4.16 2.29 5.68 -0.87 -1.18 116.55 125.70 2k5t n ASP 64 Ca -0.04 0.07 -0.32 0.00 -0.50 0.00 0.00 54.79 54.00 2k5t n ASP 64 Cb 0.48 -0.14 -0.17 0.00 -1.14 0.00 0.00 41.12 40.15 2k5t n ASP 64 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2k5t s SER 65 N -6.35 3.04 -0.27 -1.12 0.01 -1.25 -4.24 113.70 103.52 2k5t s SER 65 Ca -0.21 -0.58 -0.02 0.00 1.31 0.00 0.00 55.95 56.44 2k5t s SER 65 Cb 0.08 -1.40 0.12 0.00 0.21 0.00 0.00 66.02 65.02 2k5t s SER 65 CO 0.73 0.08 0.25 -0.22 0.41 0.00 0.00 173.24 174.49 2k5t s LEU 66 N 0.81 -0.09 -0.18 2.44 2.96 -1.26 0.07 118.68 123.43 2k5t s LEU 66 Ca -0.08 -0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 53.13 2k5t s LEU 66 Cb -0.16 0.35 0.05 0.00 0.50 0.00 0.00 46.19 46.94 2k5t s LEU 66 CO -0.01 -0.38 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.49 2k5t s ARG 67 N 2.31 1.07 -0.10 1.98 1.81 -0.57 -5.01 118.95 120.44 2k5t s ARG 67 Ca 0.09 -0.48 -0.01 0.00 -1.72 0.00 0.00 55.73 53.61 2k5t s ARG 67 Cb -0.15 -2.02 -0.03 0.00 -0.45 0.00 0.00 34.95 32.31 2k5t s ARG 67 CO -0.28 -0.52 -0.06 0.08 -0.68 0.00 0.00 175.30 173.83 2k5t s VAL 68 N 1.72 3.72 0.53 3.52 1.01 -1.26 -1.45 120.40 128.20 2k5t s VAL 68 Ca -0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 2k5t s VAL 68 Cb -0.16 -2.56 0.11 0.00 0.00 0.00 0.00 36.38 33.77 2k5t s VAL 68 CO -0.07 0.56 0.73 -2.11 0.00 0.00 0.00 175.10 174.21 2k5t n ARG 69 N 2.73 -0.24 0.12 2.72 1.85 -0.62 -4.93 116.66 118.29 2k5t n ARG 69 Ca -0.18 -1.59 0.18 0.00 -1.00 0.00 0.00 57.85 55.27 2k5t n ARG 69 Cb 0.53 -0.61 0.76 0.00 -1.05 0.00 0.00 32.46 32.09 2k5t n ARG 69 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2k5t h GLU 70 N 0.00 0.00 -0.04 2.89 4.39 -2.00 -1.87 114.58 117.95 2k5t h GLU 70 Ca -0.24 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.40 2k5t h GLU 70 Cb 0.78 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2k5t h GLU 70 CO 0.22 0.00 -0.25 0.28 -1.16 0.00 0.00 179.01 178.09 2k5t h VAL 71 N 0.00 1.20 -0.94 3.13 2.07 -1.94 -2.95 116.25 116.82 2k5t h VAL 71 Ca 0.16 -0.94 -0.53 0.00 0.82 0.00 0.00 66.70 66.21 2k5t h VAL 71 Cb 0.77 1.45 -0.29 0.00 -1.52 0.00 0.00 31.29 31.71 2k5t h VAL 71 CO -0.00 0.27 0.67 0.41 0.02 0.00 0.00 177.57 178.95 2k5t n THR 72 N -4.22 3.20 -1.82 2.57 -1.04 -0.70 -4.93 114.28 107.35 2k5t n THR 72 Ca -0.02 -2.06 -0.33 0.00 -2.04 0.00 0.00 64.05 59.60 2k5t n THR 72 Cb 0.32 -0.68 -0.04 0.00 -1.82 0.00 0.00 70.33 68.11 2k5t n THR 72 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2k5t s ARG 73 N -3.23 2.31 -0.44 -2.82 3.52 -1.12 -4.19 118.95 112.98 2k5t s ARG 73 Ca 0.55 0.76 -0.24 0.00 -0.13 0.00 0.00 55.73 56.67 2k5t s ARG 73 Cb 0.46 -4.59 0.03 0.00 -1.56 0.00 0.00 34.95 29.29 2k5t s ARG 73 CO 0.07 -3.21 0.62 0.54 -0.81 0.00 0.00 175.30 172.51 2k5t n ARG 74 N 9.04 -2.23 0.06 5.12 1.74 -1.26 -4.97 116.66 124.16 2k5t n ARG 74 Ca 0.32 1.88 0.00 0.00 -0.77 0.00 0.00 57.85 59.28 2k5t n ARG 74 Cb 0.51 -4.40 0.00 0.00 -1.02 0.00 0.00 32.46 27.56 2k5t n ARG 74 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k5t n ARG 75 N -0.25 0.00 0.00 5.56 5.12 -1.26 -5.06 116.66 120.77 2k5t n ARG 75 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2k5t n ARG 75 Cb 0.54 -0.08 0.00 0.00 -1.16 0.00 0.00 32.46 31.75 2k5t n ARG 75 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k5t n GLY 76 N 1.79 0.24 0.26 -0.13 0.00 -1.26 -5.01 105.19 101.09 2k5t n GLY 76 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2k5t n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k5t h VAL 77 N 0.00 0.91 -0.33 1.61 2.07 -1.97 -1.11 116.25 117.43 2k5t h VAL 77 Ca 0.00 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.37 2k5t h VAL 77 Cb 0.00 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 29.94 2k5t h VAL 77 CO 0.00 0.11 -0.03 1.23 0.02 0.00 0.00 177.57 178.90 2k5t h GLY 78 N 0.63 0.29 0.97 2.17 0.00 -1.95 0.33 103.07 105.52 2k5t h GLY 78 Ca 0.31 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 2k5t h GLY 78 CO -0.22 -0.10 -0.11 1.46 0.00 0.00 0.00 176.54 177.57 2k5t h GLN 79 N 0.05 -0.30 -0.78 4.80 7.50 -1.88 -2.78 115.11 121.73 2k5t h GLN 79 Ca 0.16 0.02 0.03 0.00 0.50 0.00 0.00 58.65 59.36 2k5t h GLN 79 Cb 0.23 0.07 -0.05 0.00 0.05 0.00 0.00 27.48 27.79 2k5t h GLN 79 CO -0.30 -0.17 0.50 -0.92 -1.50 0.00 0.00 178.83 176.43 2k5t h TYR 80 N -0.34 0.94 -0.16 2.96 3.20 -0.83 0.18 116.97 122.92 2k5t h TYR 80 Ca -0.03 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.91 2k5t h TYR 80 Cb 0.26 -0.31 -0.06 0.00 1.54 0.00 0.00 36.73 38.16 2k5t h TYR 80 CO -0.05 0.55 -0.24 1.25 -1.64 0.00 0.00 178.16 178.03 2k5t h LEU 81 N 0.98 -0.74 -0.16 2.82 5.85 -0.27 0.30 115.31 124.09 2k5t h LEU 81 Ca 0.30 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 59.07 2k5t h LEU 81 Cb -0.02 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 2k5t h LEU 81 CO -0.10 -0.28 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.45 2k5t h LEU 82 N -0.28 0.46 -1.54 2.25 3.38 -1.15 -2.41 115.31 116.02 2k5t h LEU 82 Ca 0.11 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 2k5t h LEU 82 Cb 0.45 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2k5t h LEU 82 CO -0.32 0.87 -0.02 -0.33 0.09 0.00 0.00 178.44 178.72 2k5t h GLU 83 N 0.05 0.27 -0.45 1.13 5.08 -0.47 0.11 114.58 120.31 2k5t h GLU 83 Ca 0.02 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2k5t h GLU 83 Cb 0.76 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2k5t h GLU 83 CO 0.05 0.32 -0.14 1.49 -1.00 0.00 0.00 179.01 179.73 2k5t h GLU 84 N 0.27 0.88 -0.30 2.33 4.57 -0.33 0.94 114.58 122.94 2k5t h GLU 84 Ca 0.06 -0.35 -0.02 0.00 -1.18 0.00 0.00 59.36 57.87 2k5t h GLU 84 Cb 0.22 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2k5t h GLU 84 CO 0.01 1.00 0.13 0.28 -1.18 0.00 0.00 179.01 179.24 2k5t h VAL 85 N 0.72 1.18 0.00 0.32 2.07 -0.75 0.20 116.25 119.99 2k5t h VAL 85 Ca 0.11 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2k5t h VAL 85 Cb 0.69 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2k5t h VAL 85 CO 0.05 0.18 0.00 -0.07 0.02 0.00 0.00 177.57 177.75 2k5t h LEU 86 N 0.34 0.00 0.00 2.57 4.07 -0.74 -2.45 115.31 119.11 2k5t h LEU 86 Ca 0.10 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.79 2k5t h LEU 86 Cb 0.17 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.87 2k5t h LEU 86 CO -0.01 0.00 -1.49 -0.09 -1.08 0.00 0.00 178.44 175.77 2k5t h ARG 87 N 0.00 0.01 0.24 1.13 1.12 -0.33 -3.36 114.38 113.18 2k5t h ARG 87 Ca 0.00 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 2k5t h ARG 87 Cb 0.52 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.49 2k5t h ARG 87 CO 0.00 0.67 -0.12 -0.97 -3.11 0.00 0.00 179.97 176.44 2k5t h ASN 88 N 0.00 -0.27 -3.67 -3.80 -1.24 -0.14 -3.39 115.58 103.07 2k5t h ASN 88 Ca -0.20 -0.12 -0.67 0.00 0.71 0.00 0.00 56.30 56.02 2k5t h ASN 88 Cb 1.94 0.07 -0.38 0.00 0.73 0.00 0.00 38.32 40.68 2k5t h ASN 88 CO 0.10 -0.04 -0.69 0.21 -1.29 0.00 0.00 177.43 175.71 2k5t s ASN 89 N -5.06 4.84 0.00 1.15 2.47 -1.06 -4.93 114.94 112.36 2k5t s ASN 89 Ca -0.15 -2.04 0.29 0.00 0.42 0.00 0.00 52.86 51.38 2k5t s ASN 89 Cb 0.04 -1.66 1.35 0.00 -1.45 0.00 0.00 41.25 39.52 2k5t s ASN 89 CO 0.62 -0.39 1.95 -2.65 -3.72 0.00 0.00 177.10 172.90 2k5t n PRO 90 N 4.34 0.44 -1.09 0.43 -0.02 -1.26 -4.33 135.00 133.51 2k5t n PRO 90 Ca 0.01 -0.07 -0.15 0.00 -2.02 0.00 0.00 63.50 61.26 2k5t n PRO 90 Cb 0.42 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.28 2k5t n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k5t n GLY 91 N 1.32 3.38 2.91 -1.23 0.00 -1.26 -4.78 105.19 105.52 2k5t n GLY 91 Ca 0.13 -1.30 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 2k5t n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5t s VAL 92 N -0.12 0.39 -0.16 1.61 1.01 -1.26 -4.76 120.40 117.11 2k5t s VAL 92 Ca 0.58 -0.12 0.11 0.00 0.00 0.00 0.00 61.98 62.55 2k5t s VAL 92 Cb 0.31 -0.39 -0.23 0.00 0.00 0.00 0.00 36.38 36.06 2k5t s VAL 92 CO -0.06 0.15 0.19 -1.54 0.00 0.00 0.00 175.10 173.85 2k5t n SER 93 N 3.56 0.79 -3.85 3.32 3.41 -1.26 -4.56 113.62 115.03 2k5t n SER 93 Ca -0.20 0.10 -0.28 0.00 -0.26 0.00 0.00 58.87 58.23 2k5t n SER 93 Cb 0.54 0.29 -0.16 0.00 -0.26 0.00 0.00 64.21 64.61 2k5t n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k5t s TRP 95 N 1.68 3.13 -0.19 0.00 0.52 0.30 -3.29 118.94 121.09 2k5t s TRP 95 Ca 0.00 0.25 -0.13 0.00 0.02 0.00 0.00 56.10 56.24 2k5t s TRP 95 Cb -0.16 -3.21 -0.05 0.00 -1.15 0.00 0.00 33.47 28.91 2k5t s TRP 95 CO -0.07 -0.69 0.27 -0.46 0.02 0.00 0.00 176.95 176.01 2k5t s TRP 96 N 2.76 3.41 -0.29 -1.98 -0.11 0.60 -0.08 118.94 123.25 2k5t s TRP 96 Ca 0.24 0.50 -0.07 0.00 1.22 0.00 0.00 56.10 57.99 2k5t s TRP 96 Cb -0.14 -2.35 0.01 0.00 -1.50 0.00 0.00 33.47 29.49 2k5t s TRP 96 CO 0.16 0.16 0.07 -1.64 -4.62 0.00 0.00 176.95 171.08 2k5t s MET 97 N 0.75 3.14 0.50 5.86 -1.94 0.11 0.36 119.30 128.07 2k5t s MET 97 Ca 0.14 -0.82 0.08 0.00 -1.71 0.00 0.00 55.69 53.38 2k5t s MET 97 Cb -0.13 -3.35 0.05 0.00 2.01 0.00 0.00 34.83 33.41 2k5t s MET 97 CO 0.04 -0.42 0.68 0.00 -0.01 0.00 0.00 175.02 175.32 2k5t s ALA 98 N 1.50 4.56 -0.40 3.03 0.00 -0.33 -1.97 121.76 128.16 2k5t s ALA 98 Ca 0.03 -1.86 0.02 0.00 0.00 0.00 0.00 51.96 50.14 2k5t s ALA 98 Cb -0.17 -1.59 0.12 0.00 0.00 0.00 0.00 23.12 21.49 2k5t s ALA 98 CO 0.02 -0.58 0.19 0.34 0.00 0.00 0.00 175.76 175.73 2k5t s ASP 99 N -4.50 3.84 -0.24 0.00 2.15 -1.26 -4.85 116.67 111.82 2k5t s ASP 99 Ca 0.58 -2.36 0.04 0.00 0.43 0.00 0.00 52.55 51.24 2k5t s ASP 99 Cb -0.08 -1.05 0.45 0.00 -0.30 0.00 0.00 42.92 41.93 2k5t s ASP 99 CO 0.36 -0.31 1.48 0.00 -0.17 0.00 0.00 175.17 176.53 2k5t n ALA 100 N 3.90 4.09 0.00 3.66 0.00 -1.26 -4.73 120.51 126.17 2k5t n ALA 100 Ca 0.06 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.89 2k5t n ALA 100 Cb 0.37 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2k5t n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5t n GLY 101 N -0.23 0.85 3.55 0.00 0.00 -1.26 -5.05 105.19 103.04 2k5t n GLY 101 Ca 0.31 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 2k5t n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5t s VAL 102 N -1.01 3.67 0.24 1.61 1.01 -1.26 -4.82 120.40 119.84 2k5t s VAL 102 Ca 0.00 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.26 2k5t s VAL 102 Cb 0.00 -4.74 -0.02 0.00 0.00 0.00 0.00 36.38 31.62 2k5t s VAL 102 CO 0.00 -1.68 1.59 -0.08 0.00 0.00 0.00 175.10 174.92 2k5t h GLU 103 N 10.89 0.33 -2.02 2.72 4.81 -2.02 -3.25 114.58 126.04 2k5t h GLU 103 Ca -0.23 -0.20 -0.14 0.00 -0.13 0.00 0.00 59.36 58.67 2k5t h GLU 103 Cb 1.07 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 2k5t h GLU 103 CO 1.28 0.78 -0.27 -0.25 -0.73 0.00 0.00 179.01 179.82 2k5t n ASP 104 N -3.94 5.11 0.37 1.04 9.92 -1.26 -4.61 116.55 123.18 2k5t n ASP 104 Ca -0.02 -2.43 -0.18 0.00 -0.53 0.00 0.00 54.79 51.63 2k5t n ASP 104 Cb 0.57 -1.30 -0.09 0.00 -0.64 0.00 0.00 41.12 39.66 2k5t n ASP 104 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 2k5t h ARG 105 N 2.57 -0.93 -0.62 -1.24 9.65 -1.98 -1.80 114.38 120.02 2k5t h ARG 105 Ca 0.14 0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 59.04 2k5t h ARG 105 Cb 1.34 0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 30.11 2k5t h ARG 105 CO 0.18 -0.62 0.25 0.78 2.80 0.00 0.00 179.97 183.35 2k5t h GLY 106 N -0.96 1.00 0.84 2.80 0.00 -1.92 -0.07 103.07 104.75 2k5t h GLY 106 Ca -0.09 -0.54 0.02 0.00 0.00 0.00 0.00 47.33 46.72 2k5t h GLY 106 CO 0.11 0.51 0.15 -2.08 0.00 0.00 0.00 176.54 175.23 2k5t h VAL 107 N 0.87 0.98 -0.08 4.60 2.07 -1.91 -1.62 116.25 121.15 2k5t h VAL 107 Ca 0.21 -0.11 -0.13 0.00 0.82 0.00 0.00 66.70 67.49 2k5t h VAL 107 Cb 0.21 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2k5t h VAL 107 CO -0.02 0.06 -0.54 0.24 0.02 0.00 0.00 177.57 177.33 2k5t h MET 108 N 0.31 0.24 -0.60 1.57 2.07 -1.07 -2.11 114.93 115.33 2k5t h MET 108 Ca 0.13 -0.14 0.02 0.00 -2.07 0.00 0.00 59.70 57.63 2k5t h MET 108 Cb 0.05 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 29.76 2k5t h MET 108 CO -0.10 0.72 0.38 1.15 1.07 0.00 0.00 176.91 180.14 2k5t h THR 109 N 0.18 1.11 -0.64 2.22 2.02 -0.55 0.35 112.91 117.60 2k5t h THR 109 Ca 0.00 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 2k5t h THR 109 Cb 1.01 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 2k5t h THR 109 CO 0.08 0.14 0.18 0.00 0.37 0.00 0.00 175.52 176.29 2k5t h ALA 110 N 1.24 0.84 0.17 6.16 0.00 -1.06 -2.05 119.26 124.56 2k5t h ALA 110 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2k5t h ALA 110 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2k5t h ALA 110 CO -0.08 0.53 -0.08 0.35 0.00 0.00 0.00 179.25 179.98 2k5t h PHE 111 N 0.93 -0.21 -0.16 0.00 3.57 -0.83 -2.17 116.94 118.08 2k5t h PHE 111 Ca 0.20 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2k5t h PHE 111 Cb 0.33 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2k5t h PHE 111 CO 0.02 0.11 -0.04 0.52 -2.23 0.00 0.00 178.31 176.69 2k5t h MET 112 N -0.54 -0.00 -0.12 1.11 2.86 -0.31 0.13 114.93 118.05 2k5t h MET 112 Ca -0.02 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 2k5t h MET 112 Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2k5t h MET 112 CO 0.04 -0.00 -0.21 1.96 1.06 0.00 0.00 176.91 179.75 2k5t h GLN 113 N -0.01 0.20 -0.01 1.72 4.20 -1.43 0.40 115.11 120.18 2k5t h GLN 113 Ca 0.08 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.58 2k5t h GLN 113 Cb 0.12 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2k5t h GLN 113 CO -0.17 0.41 -0.70 0.00 -0.67 0.00 0.00 178.83 177.71 2k5t h ALA 114 N 1.60 0.81 -0.00 3.87 0.00 -0.76 -3.00 119.26 121.78 2k5t h ALA 114 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2k5t h ALA 114 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k5t h ALA 114 CO 0.03 0.84 -0.41 -0.11 0.00 0.00 0.00 179.25 179.60 2k5t n LEU 115 N -3.75 0.43 -0.05 0.00 7.94 -0.02 -4.94 117.00 116.61 2k5t n LEU 115 Ca -0.02 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 2k5t n LEU 115 Cb 0.68 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 44.34 2k5t n LEU 115 CO 0.44 0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.44 2k5t n GLY 116 N 1.49 1.26 3.35 -3.96 0.00 -0.07 -5.06 105.19 102.20 2k5t n GLY 116 Ca 0.06 -0.11 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 2k5t n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5t s PHE 117 N -2.10 3.23 0.46 1.61 0.40 0.12 -4.84 117.98 116.87 2k5t s PHE 117 Ca 0.00 -1.12 -0.25 0.00 -0.60 0.00 0.00 56.93 54.97 2k5t s PHE 117 Cb 0.00 -3.55 -0.08 0.00 0.51 0.00 0.00 43.02 39.90 2k5t s PHE 117 CO 0.00 -0.94 1.37 0.95 0.70 0.00 0.00 175.22 177.30 2k5t s THR 118 N 1.68 2.24 -0.14 0.64 -4.23 -1.22 -4.21 115.64 110.40 2k5t s THR 118 Ca 0.04 0.20 -0.09 0.00 -1.18 0.00 0.00 61.69 60.66 2k5t s THR 118 Cb -0.27 -3.12 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 2k5t s THR 118 CO 0.05 0.02 0.17 -0.89 -0.54 0.00 0.00 174.62 173.42 2k5t s THR 119 N -1.25 5.43 -1.81 3.99 2.01 -1.26 0.09 115.64 122.83 2k5t s THR 119 Ca 0.62 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.89 2k5t s THR 119 Cb -0.41 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2k5t s THR 119 CO 0.52 0.55 0.87 0.00 -0.69 0.00 0.00 174.62 175.86 2k5t n GLN 120 N 2.55 0.96 -2.26 4.92 6.02 0.14 -4.79 117.38 124.92 2k5t n GLN 120 Ca -0.18 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.64 2k5t n GLN 120 Cb 0.54 -1.09 -0.01 0.00 1.02 0.00 0.00 30.24 30.69 2k5t n GLN 120 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2k5t n GLN 121 N -0.40 -1.36 0.07 -1.09 1.13 -1.26 -4.59 117.38 109.88 2k5t n GLN 121 Ca 0.00 0.86 0.00 0.00 -1.94 0.00 0.00 57.00 55.92 2k5t n GLN 121 Cb 0.04 -5.29 0.00 0.00 0.11 0.00 0.00 30.24 25.10 2k5t n GLN 121 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k5t n GLY 122 N -1.00 -1.81 0.00 1.08 0.00 -1.26 -5.14 105.19 97.05 2k5t n GLY 122 Ca -0.20 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2k5t n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5t n GLY 123 N -1.39 3.27 3.51 -0.02 0.00 -1.26 -5.03 105.19 104.27 2k5t n GLY 123 Ca 0.00 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.56 2k5t n GLY 123 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k5t s TRP 124 N 0.22 2.70 -0.20 1.61 0.51 -0.83 0.25 118.94 123.21 2k5t s TRP 124 Ca 0.00 -0.17 -0.04 0.00 -2.12 0.00 0.00 56.10 53.77 2k5t s TRP 124 Cb 0.00 -1.53 0.10 0.00 -0.81 0.00 0.00 33.47 31.23 2k5t s TRP 124 CO 0.00 0.30 0.33 -2.00 -0.51 0.00 0.00 176.95 175.06 2k5t s GLU 125 N -1.40 0.26 -0.40 4.98 2.12 0.11 0.04 118.70 124.42 2k5t s GLU 125 Ca 0.16 0.64 -0.17 0.00 0.36 0.00 0.00 54.97 55.95 2k5t s GLU 125 Cb -0.11 -0.32 0.01 0.00 0.26 0.00 0.00 34.13 33.97 2k5t s GLU 125 CO 0.06 -0.47 0.42 0.21 -0.54 0.00 0.00 175.26 174.94 2k5t s LYS 126 N 2.49 3.25 -0.79 4.30 2.20 0.89 -3.42 119.74 128.65 2k5t s LYS 126 Ca 0.06 -0.64 -0.21 0.00 -0.36 0.00 0.00 55.97 54.82 2k5t s LYS 126 Cb -0.14 -3.92 0.10 0.00 -1.51 0.00 0.00 37.83 32.36 2k5t s LYS 126 CO -0.12 -0.75 1.04 0.00 -0.36 0.00 0.00 175.35 175.15