#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 3.24 -0.28 0.03 1.02 -1.26 -5.09 119.74 117.40 2k5t s LYS 2 Ca 0.00 -0.76 -0.29 0.00 0.02 0.00 0.00 55.97 54.93 2k5t s LYS 2 Cb 0.00 -2.49 -0.00 0.00 -0.52 0.00 0.00 37.83 34.82 2k5t s LYS 2 CO 0.00 0.21 1.28 -1.17 -0.92 0.00 0.00 175.35 174.75 2k5t s LEU 3 N 0.33 3.93 -0.68 3.17 2.96 -1.26 -4.84 118.68 122.29 2k5t s LEU 3 Ca -0.14 1.28 -0.26 0.00 -0.22 0.00 0.00 54.13 54.79 2k5t s LEU 3 Cb -0.17 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.03 2k5t s LEU 3 CO 0.07 -1.01 1.16 -0.89 -1.32 0.00 0.00 176.35 174.35 2k5t s THR 4 N 4.19 3.97 -0.38 3.68 2.01 -1.17 -4.94 115.64 123.00 2k5t s THR 4 Ca 0.55 0.26 -0.21 0.00 0.31 0.00 0.00 61.69 62.60 2k5t s THR 4 Cb -0.17 -4.80 0.01 0.00 0.01 0.00 0.00 72.50 67.54 2k5t s THR 4 CO 0.21 -1.63 0.68 -0.51 -0.69 0.00 0.00 174.62 172.68 2k5t s ILE 5 N 5.05 4.83 0.14 1.82 1.10 -1.26 -0.87 121.20 132.01 2k5t s ILE 5 Ca 0.32 0.54 0.05 0.00 -0.51 0.00 0.00 60.65 61.05 2k5t s ILE 5 Cb -0.11 -4.15 -0.04 0.00 0.15 0.00 0.00 42.46 38.32 2k5t s ILE 5 CO 0.15 -0.42 0.09 -0.63 -2.11 0.00 0.00 174.94 172.02 2k5t s ILE 6 N 2.85 4.36 -0.22 2.00 1.01 0.48 -4.92 121.20 126.76 2k5t s ILE 6 Ca 0.26 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 2k5t s ILE 6 Cb -0.14 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 2k5t s ILE 6 CO 0.17 -0.04 0.13 0.00 0.00 0.00 0.00 174.94 175.21 2k5t s ARG 7 N -2.85 4.06 -0.97 2.79 1.70 -1.26 0.24 118.95 122.66 2k5t s ARG 7 Ca 0.30 -0.28 -0.23 0.00 -0.47 0.00 0.00 55.73 55.04 2k5t s ARG 7 Cb -0.11 -3.46 0.05 0.00 -0.57 0.00 0.00 34.95 30.87 2k5t s ARG 7 CO 0.22 0.13 1.39 -0.51 -1.08 0.00 0.00 175.30 175.45 2k5t s LEU 8 N 0.84 3.59 0.04 -1.89 1.43 -0.13 -4.69 118.68 117.87 2k5t s LEU 8 Ca 0.07 -1.36 0.19 0.00 -1.03 0.00 0.00 54.13 52.00 2k5t s LEU 8 Cb -0.13 -2.55 -0.16 0.00 0.03 0.00 0.00 46.19 43.38 2k5t s LEU 8 CO 0.02 -1.52 0.72 -0.62 0.23 0.00 0.00 176.35 175.18 2k5t n GLU 9 N 8.75 0.63 -3.86 1.70 1.02 -1.26 -4.68 120.64 122.94 2k5t n GLU 9 Ca 0.28 0.10 -0.12 0.00 -0.02 0.00 0.00 57.16 57.39 2k5t n GLU 9 Cb 0.50 -1.72 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 2k5t n GLU 9 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2k5t s LYS 10 N -3.08 0.00 -0.24 3.49 1.02 -1.26 -4.94 119.74 114.73 2k5t s LYS 10 Ca -0.04 0.01 -0.02 0.00 0.02 0.00 0.00 55.97 55.95 2k5t s LYS 10 Cb 0.10 -0.01 0.02 0.00 -0.52 0.00 0.00 37.83 37.42 2k5t s LYS 10 CO 0.83 -0.01 -0.07 -0.06 -0.92 0.00 0.00 175.35 175.12 2k5t s PHE 11 N 0.05 3.03 0.74 3.18 0.40 -1.26 -5.08 117.98 119.04 2k5t s PHE 11 Ca -0.00 -1.52 -0.07 0.00 -0.60 0.00 0.00 56.93 54.74 2k5t s PHE 11 Cb -0.01 -2.05 0.08 0.00 0.51 0.00 0.00 43.02 41.55 2k5t s PHE 11 CO -0.00 -0.72 1.05 -1.54 0.70 0.00 0.00 175.22 174.71 2k5t s SER 12 N 1.33 4.62 0.47 1.36 1.04 -1.26 -4.91 113.70 116.35 2k5t s SER 12 Ca 0.01 0.42 0.27 0.00 0.48 0.00 0.00 55.95 57.13 2k5t s SER 12 Cb -0.16 -0.99 0.85 0.00 0.10 0.00 0.00 66.02 65.82 2k5t s SER 12 CO -0.05 -1.73 1.79 0.44 0.98 0.00 0.00 173.24 174.67 2k5t h ASP 13 N -0.72 0.00 -0.03 7.02 3.32 -1.99 0.75 116.42 124.77 2k5t h ASP 13 Ca -0.44 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 2k5t h ASP 13 Cb 1.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 2k5t h ASP 13 CO 0.58 0.10 -0.03 1.56 -1.72 0.00 0.00 179.24 179.72 2k5t h GLN 14 N 0.00 0.07 -0.82 3.56 4.20 -2.00 -2.18 115.11 117.95 2k5t h GLN 14 Ca -0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2k5t h GLN 14 Cb 0.79 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.53 2k5t h GLN 14 CO 0.01 0.54 0.46 -0.44 -0.67 0.00 0.00 178.83 178.73 2k5t h ASP 15 N -0.40 1.00 -0.52 1.46 3.32 -1.89 -2.73 116.42 116.67 2k5t h ASP 15 Ca 0.00 -0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.06 2k5t h ASP 15 Cb 0.53 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.75 2k5t h ASP 15 CO 0.01 0.80 0.13 -0.09 -1.72 0.00 0.00 179.24 178.37 2k5t h ARG 16 N 1.13 0.27 -0.10 3.56 2.43 -0.73 0.28 114.38 121.23 2k5t h ARG 16 Ca 0.29 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 2k5t h ARG 16 Cb 0.01 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2k5t h ARG 16 CO -0.05 0.18 -0.01 0.82 -1.51 0.00 0.00 179.97 179.40 2k5t h ILE 17 N 0.28 1.26 -0.15 1.20 2.04 -1.11 -2.35 117.51 118.69 2k5t h ILE 17 Ca 0.26 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 2k5t h ILE 17 Cb 0.33 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2k5t h ILE 17 CO -0.31 0.24 -0.19 0.44 0.00 0.00 0.00 178.15 178.33 2k5t h ASP 18 N -0.11 0.24 -0.53 1.72 5.19 -1.20 -0.64 116.42 121.10 2k5t h ASP 18 Ca 0.03 -0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.32 2k5t h ASP 18 Cb 0.38 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 2k5t h ASP 18 CO 0.01 0.45 0.11 -0.07 -3.12 0.00 0.00 179.24 176.62 2k5t h LEU 19 N 0.23 0.82 -1.61 1.55 3.38 -0.87 -1.70 115.31 117.12 2k5t h LEU 19 Ca 0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2k5t h LEU 19 Cb 0.48 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2k5t h LEU 19 CO 0.03 0.85 -0.03 1.56 0.09 0.00 0.00 178.44 180.95 2k5t h GLN 20 N 0.75 0.00 0.00 1.13 4.20 -0.82 0.17 115.11 120.54 2k5t h GLN 20 Ca 0.16 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.76 2k5t h GLN 20 Cb 0.37 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2k5t h GLN 20 CO 0.01 0.03 -0.55 -0.22 -0.67 0.00 0.00 178.83 177.42 2k5t h LYS 21 N 0.00 0.00 0.17 1.46 1.63 -0.45 -2.98 116.57 116.40 2k5t h LYS 21 Ca -0.00 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.48 2k5t h LYS 21 Cb 0.47 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.11 2k5t h LYS 21 CO 0.00 0.55 -1.50 0.82 -3.45 0.00 0.00 179.45 175.87 2k5t h ILE 22 N 0.00 1.21 -3.31 2.00 2.04 -0.36 -3.40 117.51 115.69 2k5t h ILE 22 Ca -0.01 -2.77 -0.65 0.00 1.00 0.00 0.00 64.86 62.43 2k5t h ILE 22 Cb 1.28 2.87 -0.40 0.00 -0.74 0.00 0.00 36.82 39.83 2k5t h ILE 22 CO 0.07 0.84 -0.51 0.26 0.00 0.00 0.00 178.15 178.81 2k5t s TRP 23 N -2.61 3.42 -1.03 1.37 0.51 -0.07 -4.94 118.94 115.59 2k5t s TRP 23 Ca -0.09 -3.15 0.21 0.00 -2.12 0.00 0.00 56.10 50.95 2k5t s TRP 23 Cb 0.06 -2.89 0.91 0.00 -0.81 0.00 0.00 33.47 30.74 2k5t s TRP 23 CO 0.88 -0.69 1.67 -0.35 -0.51 0.00 0.00 176.95 177.95 2k5t n PRO 24 N 2.71 0.02 0.00 4.98 -0.04 -1.13 -2.26 135.00 139.29 2k5t n PRO 24 Ca 0.12 0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.82 2k5t n PRO 24 Cb 0.34 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.29 2k5t n PRO 24 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k5t n GLU 25 N -1.48 1.23 -3.53 0.54 4.07 -1.26 -4.89 120.64 115.32 2k5t n GLU 25 Ca 0.05 -0.89 -0.40 0.00 -0.06 0.00 0.00 57.16 55.87 2k5t n GLU 25 Cb 0.24 -1.44 -0.11 0.00 -0.06 0.00 0.00 31.44 30.08 2k5t n GLU 25 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 2k5t s TYR 26 N -2.41 3.23 0.08 4.31 5.04 -0.96 -5.05 117.35 121.59 2k5t s TYR 26 Ca 0.17 -0.12 -0.31 0.00 -2.44 0.00 0.00 57.07 54.37 2k5t s TYR 26 Cb 0.17 -2.47 -0.06 0.00 0.35 0.00 0.00 41.96 39.94 2k5t s TYR 26 CO 0.56 -0.32 1.26 0.45 -1.34 0.00 0.00 175.55 176.16 2k5t s SER 27 N 1.73 7.00 -0.50 4.32 0.15 -1.26 -4.90 113.70 120.23 2k5t s SER 27 Ca 0.07 2.12 -0.30 0.00 0.70 0.00 0.00 55.95 58.54 2k5t s SER 27 Cb -0.17 -2.58 -0.11 0.00 -1.71 0.00 0.00 66.02 61.45 2k5t s SER 27 CO 0.11 -0.53 2.37 -0.81 1.20 0.00 0.00 173.24 175.58 2k5t n PRO 28 N 3.90 0.96 -0.01 5.44 -0.04 -1.26 -4.95 135.00 139.03 2k5t n PRO 28 Ca 0.10 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2k5t n PRO 28 Cb 0.45 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 2k5t n PRO 28 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2k5t n SER 29 N 12.35 0.00 0.20 3.54 7.64 -1.26 -4.95 113.62 131.14 2k5t n SER 29 Ca 0.43 -0.17 0.07 0.00 1.01 0.00 0.00 58.87 60.20 2k5t n SER 29 Cb 0.33 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 63.94 2k5t n SER 29 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k5t h SER 30 N 0.00 0.00 -5.41 6.43 0.02 -2.06 -3.48 113.55 109.05 2k5t h SER 30 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2k5t h SER 30 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k5t h SER 30 CO 0.00 0.32 -0.51 0.18 -1.14 0.00 0.00 176.83 175.68 2k5t n LEU 31 N -3.60 -7.31 -3.76 5.07 4.77 -1.26 -5.02 117.00 105.89 2k5t n LEU 31 Ca -0.01 0.39 -0.27 0.00 -0.03 0.00 0.00 56.01 56.09 2k5t n LEU 31 Cb 0.45 -3.23 -0.17 0.00 -2.33 0.00 0.00 43.42 38.14 2k5t n LEU 31 CO 0.36 -2.00 -0.37 -1.58 -1.33 0.00 0.00 177.39 172.47 2k5t s GLN 32 N -2.67 0.73 0.23 3.23 0.74 -1.26 -4.86 119.66 115.80 2k5t s GLN 32 Ca 0.23 -0.40 0.06 0.00 0.05 0.00 0.00 55.36 55.30 2k5t s GLN 32 Cb -0.06 -2.01 -0.03 0.00 1.10 0.00 0.00 33.01 32.01 2k5t s GLN 32 CO 0.78 -0.59 0.25 0.14 -0.55 0.00 0.00 175.29 175.31 2k5t s VAL 33 N 1.84 4.76 0.00 1.34 -7.23 -1.26 -5.03 120.40 114.82 2k5t s VAL 33 Ca -0.00 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 2k5t s VAL 33 Cb -0.17 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.22 2k5t s VAL 33 CO -0.08 -0.30 0.00 -0.90 -0.31 0.00 0.00 175.10 173.51 2k5t n ASP 34 N -1.12 0.93 0.04 4.85 5.75 -0.94 -5.00 116.55 121.06 2k5t n ASP 34 Ca -0.08 -0.64 0.13 0.00 -0.01 0.00 0.00 54.79 54.19 2k5t n ASP 34 Cb 0.57 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 41.19 2k5t n ASP 34 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2k5t n ASP 35 N -1.33 0.27 -0.08 -1.12 2.03 -1.26 -3.79 116.55 111.27 2k5t n ASP 35 Ca 0.00 0.53 -0.08 0.00 0.52 0.00 0.00 54.79 55.76 2k5t n ASP 35 Cb 0.00 -0.60 -0.03 0.00 -0.72 0.00 0.00 41.12 39.78 2k5t n ASP 35 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k5t n ASN 36 N -1.75 1.89 -4.55 1.67 3.02 -1.26 -4.78 115.26 109.49 2k5t n ASN 36 Ca 0.06 0.45 -0.38 0.00 -0.03 0.00 0.00 54.58 54.68 2k5t n ASN 36 Cb 0.35 -0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 38.70 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 -2.65 1.98 -0.24 3.10 3.76 -1.25 0.25 115.29 120.24 2k5t s HIS 37 Ca -0.24 0.31 -0.01 0.00 -0.15 0.00 0.00 55.06 54.97 2k5t s HIS 37 Cb 0.03 -4.33 0.03 0.00 1.11 0.00 0.00 32.58 29.42 2k5t s HIS 37 CO 0.35 -2.11 -0.08 1.03 -0.85 0.00 0.00 174.74 173.08 2k5t s ARG 38 N 6.38 2.83 -0.29 1.40 0.52 -0.01 -2.21 118.95 127.56 2k5t s ARG 38 Ca 0.55 -0.98 -0.13 0.00 -0.52 0.00 0.00 55.73 54.65 2k5t s ARG 38 Cb -0.09 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.40 2k5t s ARG 38 CO 0.12 -0.39 0.26 0.42 0.02 0.00 0.00 175.30 175.74 2k5t s ILE 39 N 1.31 5.26 -0.04 1.52 1.01 -1.26 -1.49 121.20 127.50 2k5t s ILE 39 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 2k5t s ILE 39 Cb -0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2k5t s ILE 39 CO -0.05 0.15 0.03 -0.31 0.00 0.00 0.00 174.94 174.76 2k5t s TYR 40 N 1.86 3.18 -0.18 3.97 2.02 -0.35 -0.96 117.35 126.91 2k5t s TYR 40 Ca 0.09 0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.98 2k5t s TYR 40 Cb -0.16 -1.75 0.03 0.00 -0.40 0.00 0.00 41.96 39.68 2k5t s TYR 40 CO 0.11 0.50 -0.14 0.00 -1.57 0.00 0.00 175.55 174.45 2k5t s ALA 41 N -1.03 2.01 -0.63 3.71 0.00 0.14 -2.00 121.76 123.96 2k5t s ALA 41 Ca 0.18 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.84 2k5t s ALA 41 Cb -0.12 -1.18 0.09 0.00 0.00 0.00 0.00 23.12 21.92 2k5t s ALA 41 CO 0.08 -0.56 0.83 0.00 0.00 0.00 0.00 175.76 176.10 2k5t s ALA 42 N 1.41 3.28 -0.37 0.00 0.00 0.43 -0.39 121.76 126.13 2k5t s ALA 42 Ca 0.02 -2.07 -0.11 0.00 0.00 0.00 0.00 51.96 49.80 2k5t s ALA 42 Cb -0.14 -3.69 0.02 0.00 0.00 0.00 0.00 23.12 19.31 2k5t s ALA 42 CO -0.10 -2.55 0.20 1.03 0.00 0.00 0.00 175.76 174.34 2k5t s ARG 43 N 3.29 2.91 -0.45 0.00 0.52 -0.05 -0.71 118.95 124.47 2k5t s ARG 43 Ca 0.17 -1.02 -0.17 0.00 -0.52 0.00 0.00 55.73 54.18 2k5t s ARG 43 Cb -0.21 -3.72 0.04 0.00 0.52 0.00 0.00 34.95 31.59 2k5t s ARG 43 CO 0.08 -0.66 0.45 0.12 0.02 0.00 0.00 175.30 175.31 2k5t s PHE 44 N 1.57 3.17 -0.86 -0.53 5.36 0.23 -3.01 117.98 123.90 2k5t s PHE 44 Ca 0.03 -0.58 -0.03 0.00 -0.96 0.00 0.00 56.93 55.39 2k5t s PHE 44 Cb -0.19 -3.06 -0.03 0.00 -0.34 0.00 0.00 43.02 39.40 2k5t s PHE 44 CO 0.07 -0.78 0.78 -1.71 -1.46 0.00 0.00 175.22 172.12 2k5t n ASN 45 N 5.56 -7.13 0.00 6.13 5.15 -1.26 -3.43 115.26 120.28 2k5t n ASN 45 Ca -0.09 -0.36 0.00 0.00 -0.60 0.00 0.00 54.58 53.53 2k5t n ASN 45 Cb 0.46 -5.15 0.00 0.00 -0.53 0.00 0.00 39.78 34.56 2k5t n ASN 45 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2k5t n GLU 46 N -2.42 0.00 -3.97 1.20 1.02 -1.26 -4.92 120.64 110.29 2k5t n GLU 46 Ca -0.03 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.77 2k5t n GLU 46 Cb 0.55 -0.76 -0.06 0.00 -0.02 0.00 0.00 31.44 31.16 2k5t n GLU 46 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2k5t s ARG 47 N 0.00 3.31 -0.09 3.49 3.52 -1.22 -4.95 118.95 123.00 2k5t s ARG 47 Ca 0.00 -0.37 -0.29 0.00 -0.13 0.00 0.00 55.73 54.94 2k5t s ARG 47 Cb 0.00 -3.02 -0.06 0.00 -1.56 0.00 0.00 34.95 30.32 2k5t s ARG 47 CO 0.00 0.67 1.78 -0.51 -0.81 0.00 0.00 175.30 176.43 2k5t s LEU 48 N -1.82 4.16 -0.10 -0.88 1.43 -1.26 -0.60 118.68 119.61 2k5t s LEU 48 Ca 0.25 2.17 0.12 0.00 -1.03 0.00 0.00 54.13 55.64 2k5t s LEU 48 Cb -0.12 -3.53 -0.18 0.00 0.03 0.00 0.00 46.19 42.39 2k5t s LEU 48 CO 0.16 -1.14 0.12 -0.11 0.23 0.00 0.00 176.35 175.62 2k5t n LEU 49 N 8.00 0.00 -3.69 1.79 7.94 0.12 -4.89 117.00 126.27 2k5t n LEU 49 Ca 0.20 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.95 2k5t n LEU 49 Cb 0.43 0.23 -0.08 0.00 0.53 0.00 0.00 43.42 44.53 2k5t n LEU 49 CO 0.65 0.23 0.15 0.00 -1.11 0.00 0.00 177.39 177.31 2k5t s ALA 50 N -2.51 -1.09 -0.01 1.96 0.00 -0.89 -0.48 121.76 118.74 2k5t s ALA 50 Ca -0.06 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.58 2k5t s ALA 50 Cb 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.18 2k5t s ALA 50 CO 0.56 -0.29 -0.01 0.00 0.00 0.00 0.00 175.76 176.02 2k5t s ALA 51 N -1.17 0.21 -0.01 0.00 0.00 0.10 -0.43 121.76 120.47 2k5t s ALA 51 Ca -0.12 0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 2k5t s ALA 51 Cb -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.93 2k5t s ALA 51 CO 0.06 -0.01 0.02 0.54 0.00 0.00 0.00 175.76 176.36 2k5t s VAL 52 N 0.43 0.01 -0.18 0.00 0.11 -0.85 -0.82 120.40 119.10 2k5t s VAL 52 Ca -0.04 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.91 2k5t s VAL 52 Cb -0.06 -0.06 -0.00 0.00 -1.53 0.00 0.00 36.38 34.72 2k5t s VAL 52 CO -0.01 -0.05 -0.11 -0.13 -3.33 0.00 0.00 175.10 171.47 2k5t s ARG 53 N -0.13 3.29 -0.12 1.54 0.52 -0.55 -1.21 118.95 122.30 2k5t s ARG 53 Ca -0.02 -0.69 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 2k5t s ARG 53 Cb -0.01 -2.78 0.02 0.00 0.52 0.00 0.00 34.95 32.70 2k5t s ARG 53 CO -0.00 -0.06 -0.15 0.54 0.02 0.00 0.00 175.30 175.65 2k5t s VAL 54 N 1.04 1.50 -0.58 3.52 0.11 -0.56 -2.16 120.40 123.28 2k5t s VAL 54 Ca -0.00 -0.63 -0.17 0.00 -2.93 0.00 0.00 61.98 58.24 2k5t s VAL 54 Cb -0.15 -1.38 0.12 0.00 -1.53 0.00 0.00 36.38 33.45 2k5t s VAL 54 CO -0.02 0.44 0.60 -0.89 -3.33 0.00 0.00 175.10 171.90 2k5t s THR 55 N 1.09 5.07 -1.34 5.04 2.01 0.10 -0.83 115.64 126.78 2k5t s THR 55 Ca -0.04 -1.35 -0.11 0.00 0.31 0.00 0.00 61.69 60.49 2k5t s THR 55 Cb -0.14 -4.41 0.12 0.00 0.01 0.00 0.00 72.50 68.08 2k5t s THR 55 CO -0.03 -0.98 1.99 0.18 -0.69 0.00 0.00 174.62 175.09 2k5t n LEU 56 N 5.62 6.68 -4.55 4.42 4.77 0.14 -1.23 117.00 132.84 2k5t n LEU 56 Ca -0.11 -4.45 -0.36 0.00 -0.03 0.00 0.00 56.01 51.06 2k5t n LEU 56 Cb 0.41 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 2k5t n LEU 56 CO 0.55 1.25 1.68 -0.44 -1.33 0.00 0.00 177.39 179.09 2k5t s SER 57 N 1.80 5.03 1.29 -1.43 0.01 -0.80 -4.43 113.70 115.17 2k5t s SER 57 Ca 0.43 0.43 0.00 0.00 1.31 0.00 0.00 55.95 58.12 2k5t s SER 57 Cb 0.11 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2k5t s SER 57 CO -0.03 -2.56 0.00 0.61 0.41 0.00 0.00 173.24 171.67 2k5t n GLY 58 N 5.88 2.40 0.50 3.44 0.00 -1.26 -2.12 105.19 114.04 2k5t n GLY 58 Ca 0.26 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 46.13 2k5t n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k5t n THR 59 N 0.00 1.54 -3.89 2.61 -1.04 -1.26 -4.98 114.28 107.26 2k5t n THR 59 Ca 0.00 -1.48 -0.36 0.00 -2.04 0.00 0.00 64.05 60.17 2k5t n THR 59 Cb 0.00 0.15 -0.08 0.00 -1.82 0.00 0.00 70.33 68.58 2k5t n THR 59 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k5t s GLU 60 N -1.87 3.77 -0.41 -2.82 2.02 -0.90 -4.25 118.70 114.23 2k5t s GLU 60 Ca 0.26 -0.23 -0.10 0.00 0.02 0.00 0.00 54.97 54.93 2k5t s GLU 60 Cb 0.19 -3.24 0.07 0.00 0.10 0.00 0.00 34.13 31.25 2k5t s GLU 60 CO 0.08 0.51 0.25 0.20 0.02 0.00 0.00 175.26 176.32 2k5t s GLY 61 N -0.26 1.96 -0.42 -1.39 0.00 -0.77 -1.91 107.32 104.53 2k5t s GLY 61 Ca 0.10 -2.06 -0.14 0.00 0.00 0.00 0.00 44.72 42.63 2k5t s GLY 61 CO 0.01 0.94 0.30 0.00 0.00 0.00 0.00 173.10 174.35 2k5t s ALA 62 N 1.46 3.44 -0.27 3.20 0.00 -0.37 -0.35 121.76 128.87 2k5t s ALA 62 Ca 0.03 -1.85 -0.16 0.00 0.00 0.00 0.00 51.96 49.97 2k5t s ALA 62 Cb -0.22 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 2k5t s ALA 62 CO 0.03 -1.53 0.45 -0.51 0.00 0.00 0.00 175.76 174.20 2k5t s LEU 63 N 1.62 4.05 0.00 0.00 1.43 0.98 0.03 118.68 126.79 2k5t s LEU 63 Ca 0.04 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2k5t s LEU 63 Cb -0.21 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.46 2k5t s LEU 63 CO 0.08 -0.24 0.00 -0.67 0.23 0.00 0.00 176.35 175.75 2k5t n ASP 64 N 5.45 0.00 -4.28 2.29 2.03 -0.92 -0.60 116.55 120.52 2k5t n ASP 64 Ca -0.06 0.01 -0.29 0.00 0.52 0.00 0.00 54.79 54.97 2k5t n ASP 64 Cb 0.50 -0.23 -0.15 0.00 -0.72 0.00 0.00 41.12 40.52 2k5t n ASP 64 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2k5t s SER 65 N -2.39 2.81 -0.05 1.67 1.04 -1.25 -4.53 113.70 111.00 2k5t s SER 65 Ca 0.00 -0.48 -0.02 0.00 0.48 0.00 0.00 55.95 55.92 2k5t s SER 65 Cb 0.00 -0.28 0.03 0.00 0.10 0.00 0.00 66.02 65.87 2k5t s SER 65 CO 0.00 0.26 0.09 -0.22 0.98 0.00 0.00 173.24 174.34 2k5t s LEU 66 N -0.83 0.09 -0.17 2.42 2.96 -1.26 -1.48 118.68 120.40 2k5t s LEU 66 Ca 0.09 0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 54.14 2k5t s LEU 66 Cb -0.09 -0.04 0.04 0.00 0.50 0.00 0.00 46.19 46.61 2k5t s LEU 66 CO 0.00 -0.25 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.60 2k5t s ARG 67 N 2.20 1.50 0.18 1.98 0.52 0.00 -5.00 118.95 120.34 2k5t s ARG 67 Ca 0.05 -0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 54.64 2k5t s ARG 67 Cb -0.12 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.20 2k5t s ARG 67 CO -0.04 -0.45 0.41 0.08 0.02 0.00 0.00 175.30 175.32 2k5t s VAL 68 N 1.60 5.15 0.33 3.52 1.01 -1.26 -0.72 120.40 130.03 2k5t s VAL 68 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 2k5t s VAL 68 Cb -0.16 -3.66 -0.13 0.00 0.00 0.00 0.00 36.38 32.43 2k5t s VAL 68 CO -0.08 -0.06 1.20 -1.14 0.00 0.00 0.00 175.10 175.02 2k5t n ARG 69 N -0.24 1.87 -0.32 2.72 0.63 0.37 -4.85 116.66 116.85 2k5t n ARG 69 Ca -0.03 0.66 0.14 0.00 -0.92 0.00 0.00 57.85 57.70 2k5t n ARG 69 Cb 0.52 -2.18 0.37 0.00 0.45 0.00 0.00 32.46 31.62 2k5t n ARG 69 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2k5t h GLU 70 N 2.33 0.67 0.00 -0.14 3.07 -1.97 0.27 114.58 118.81 2k5t h GLU 70 Ca -0.44 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.35 2k5t h GLU 70 Cb 1.30 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 2k5t h GLU 70 CO 0.62 0.44 -0.12 0.28 -1.40 0.00 0.00 179.01 178.82 2k5t h VAL 71 N 0.69 0.39 -1.37 3.13 2.07 -1.99 -3.30 116.25 115.87 2k5t h VAL 71 Ca 0.52 -0.72 -0.75 0.00 0.82 0.00 0.00 66.70 66.57 2k5t h VAL 71 Cb 0.91 1.52 -0.15 0.00 -1.52 0.00 0.00 31.29 32.05 2k5t h VAL 71 CO -0.29 0.12 2.14 0.41 0.02 0.00 0.00 177.57 179.98 2k5t n THR 72 N -3.37 4.98 0.07 2.57 -1.04 0.95 -4.58 114.28 113.86 2k5t n THR 72 Ca -0.01 -4.50 0.08 0.00 -2.04 0.00 0.00 64.05 57.58 2k5t n THR 72 Cb 0.32 -2.15 0.26 0.00 -1.82 0.00 0.00 70.33 66.94 2k5t n THR 72 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2k5t n ARG 73 N 2.36 2.71 0.00 -2.82 0.63 -1.25 -4.69 116.66 113.61 2k5t n ARG 73 Ca 0.52 -2.08 0.00 0.00 -0.92 0.00 0.00 57.85 55.37 2k5t n ARG 73 Cb 0.29 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.60 2k5t n ARG 73 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2k5t n ARG 74 N 0.94 0.00 -0.38 -0.14 0.63 -1.26 -5.05 116.66 111.41 2k5t n ARG 74 Ca 0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 2k5t n ARG 74 Cb 0.60 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.51 2k5t n ARG 74 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2k5t n ARG 75 N 0.00 0.00 0.00 -0.14 3.00 -1.26 -5.01 116.66 113.25 2k5t n ARG 75 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 2k5t n ARG 75 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 32.46 32.37 2k5t n ARG 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k5t n GLY 76 N 0.00 1.67 0.37 5.14 0.00 -1.26 -4.81 105.19 106.30 2k5t n GLY 76 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2k5t n GLY 76 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k5t n VAL 77 N 0.00 -0.48 0.19 1.61 0.31 -1.26 -0.52 118.33 118.19 2k5t n VAL 77 Ca 0.00 2.29 -0.14 0.00 -0.01 0.00 0.00 64.34 66.48 2k5t n VAL 77 Cb 0.00 -3.09 -0.07 0.00 -0.91 0.00 0.00 33.84 29.78 2k5t n VAL 77 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2k5t h GLY 78 N 0.00 -0.63 1.14 2.92 0.00 -1.92 0.64 103.07 105.22 2k5t h GLY 78 Ca 0.40 0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.92 2k5t h GLY 78 CO -0.99 -0.25 -0.18 1.46 0.00 0.00 0.00 176.54 176.57 2k5t h GLN 79 N -0.59 0.99 -0.47 4.80 4.20 -1.74 -1.74 115.11 120.55 2k5t h GLN 79 Ca -0.01 -0.40 0.08 0.00 0.06 0.00 0.00 58.65 58.38 2k5t h GLN 79 Cb 0.54 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.21 2k5t h GLN 79 CO -0.05 1.08 0.08 -0.92 -0.67 0.00 0.00 178.83 178.35 2k5t h TYR 80 N 0.86 0.12 0.09 2.96 5.03 -0.64 0.78 116.97 126.17 2k5t h TYR 80 Ca 0.12 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.45 2k5t h TYR 80 Cb 0.75 0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.05 2k5t h TYR 80 CO 0.05 -0.02 -0.04 1.25 -1.32 0.00 0.00 178.16 178.08 2k5t h LEU 81 N 0.21 -0.10 -0.36 2.82 5.85 -0.52 0.13 115.31 123.34 2k5t h LEU 81 Ca 0.23 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2k5t h LEU 81 Cb 0.31 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2k5t h LEU 81 CO -0.32 0.03 0.23 -0.07 -0.34 0.00 0.00 178.44 177.97 2k5t h LEU 82 N -0.23 0.38 -0.49 2.25 -0.00 -1.01 -0.34 115.31 115.88 2k5t h LEU 82 Ca -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 2k5t h LEU 82 Cb 0.19 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.74 2k5t h LEU 82 CO 0.02 0.28 0.28 -0.33 -0.00 0.00 0.00 178.44 178.68 2k5t h GLU 83 N 0.46 0.67 -0.69 1.13 5.08 -0.78 -2.16 114.58 118.29 2k5t h GLU 83 Ca 0.13 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2k5t h GLU 83 Cb -0.03 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.03 2k5t h GLU 83 CO -0.04 0.52 0.39 1.49 -1.00 0.00 0.00 179.01 180.36 2k5t h GLU 84 N 0.65 0.69 -0.30 2.33 4.57 -0.15 0.18 114.58 122.54 2k5t h GLU 84 Ca 0.17 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2k5t h GLU 84 Cb 0.03 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 2k5t h GLU 84 CO -0.03 0.45 0.18 0.28 -1.18 0.00 0.00 179.01 178.72 2k5t h VAL 85 N 0.71 1.11 0.00 0.32 2.07 -0.82 -1.38 116.25 118.26 2k5t h VAL 85 Ca 0.31 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2k5t h VAL 85 Cb 0.21 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2k5t h VAL 85 CO -0.19 0.11 0.00 -0.07 0.02 0.00 0.00 177.57 177.44 2k5t h LEU 86 N 0.39 0.00 0.00 2.57 4.07 -0.68 -1.12 115.31 120.54 2k5t h LEU 86 Ca 0.11 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.01 2k5t h LEU 86 Cb 0.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2k5t h LEU 86 CO -0.02 0.00 -1.03 0.03 -1.08 0.00 0.00 178.44 176.34 2k5t h ARG 87 N 0.00 0.00 -0.01 1.13 3.08 -0.26 -3.35 114.38 114.98 2k5t h ARG 87 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k5t h ARG 87 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2k5t h ARG 87 CO 0.00 0.12 -0.62 0.09 -1.07 0.00 0.00 179.97 178.49 2k5t n ASN 88 N -2.81 1.34 -3.96 7.04 3.02 -0.56 -4.69 115.26 114.64 2k5t n ASN 88 Ca -0.03 -1.17 -0.31 0.00 -0.03 0.00 0.00 54.58 53.05 2k5t n ASN 88 Cb 0.65 0.73 -0.12 0.00 -0.61 0.00 0.00 39.78 40.43 2k5t n ASN 88 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2k5t s ASN 89 N -2.43 4.75 0.59 6.41 0.01 -0.45 -5.08 114.94 118.74 2k5t s ASN 89 Ca 0.11 -3.37 -0.07 0.00 -0.71 0.00 0.00 52.86 48.82 2k5t s ASN 89 Cb 0.14 -1.69 -0.01 0.00 0.41 0.00 0.00 41.25 40.11 2k5t s ASN 89 CO 0.61 -0.19 0.93 -2.16 -1.51 0.00 0.00 177.10 174.78 2k5t s PRO 90 N -0.79 3.14 0.00 -0.60 0.05 -1.26 -4.24 135.00 131.30 2k5t s PRO 90 Ca 0.21 0.23 0.00 0.00 0.05 0.00 0.00 61.00 61.49 2k5t s PRO 90 Cb -0.16 -2.22 0.00 0.00 0.05 0.00 0.00 34.50 32.17 2k5t s PRO 90 CO -0.08 -0.63 0.00 0.41 0.05 0.00 0.00 177.00 176.75 2k5t n GLY 91 N -2.61 2.04 3.55 0.56 0.00 -1.26 -4.93 105.19 102.54 2k5t n GLY 91 Ca 0.04 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.18 3.07 -0.13 1.61 1.01 -1.26 -4.76 120.40 119.76 2k5t s VAL 92 Ca 0.00 0.03 0.18 0.00 0.00 0.00 0.00 61.98 62.19 2k5t s VAL 92 Cb 0.00 -3.18 -0.17 0.00 0.00 0.00 0.00 36.38 33.03 2k5t s VAL 92 CO 0.00 -0.17 0.69 -1.20 0.00 0.00 0.00 175.10 174.42 2k5t n SER 93 N 15.61 0.65 -4.28 3.32 7.64 -1.26 -4.73 113.62 130.57 2k5t n SER 93 Ca 0.35 0.28 -0.44 0.00 1.01 0.00 0.00 58.87 60.07 2k5t n SER 93 Cb 0.54 0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 64.16 2k5t n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k5t s TRP 95 N 1.34 3.20 -0.19 0.00 0.52 -0.82 -1.85 118.94 121.13 2k5t s TRP 95 Ca 0.06 -0.18 -0.03 0.00 0.02 0.00 0.00 56.10 55.97 2k5t s TRP 95 Cb -0.27 -2.74 -0.01 0.00 -1.15 0.00 0.00 33.47 29.30 2k5t s TRP 95 CO 0.01 -0.53 -0.07 -0.46 0.02 0.00 0.00 176.95 175.91 2k5t s TRP 96 N 2.04 2.92 -0.20 -1.98 -0.11 0.53 -0.48 118.94 121.66 2k5t s TRP 96 Ca 0.11 -0.87 -0.03 0.00 1.22 0.00 0.00 56.10 56.53 2k5t s TRP 96 Cb -0.17 -2.02 -0.01 0.00 -1.50 0.00 0.00 33.47 29.76 2k5t s TRP 96 CO 0.12 -0.45 -0.05 -1.64 -4.62 0.00 0.00 176.95 170.32 2k5t s MET 97 N 1.12 3.45 0.48 5.86 -1.94 0.14 -0.01 119.30 128.40 2k5t s MET 97 Ca 0.01 -0.61 -0.16 0.00 -1.71 0.00 0.00 55.69 53.22 2k5t s MET 97 Cb -0.15 -2.95 -0.08 0.00 2.01 0.00 0.00 34.83 33.66 2k5t s MET 97 CO -0.01 -0.05 0.94 0.00 -0.01 0.00 0.00 175.02 175.88 2k5t s ALA 98 N 1.10 3.12 -0.09 3.03 0.00 0.24 -0.58 121.76 128.57 2k5t s ALA 98 Ca 0.01 0.15 0.14 0.00 0.00 0.00 0.00 51.96 52.26 2k5t s ALA 98 Cb -0.15 -3.05 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 2k5t s ALA 98 CO -0.00 -0.13 1.12 0.38 0.00 0.00 0.00 175.76 177.13 2k5t h ASP 99 N 1.16 0.00 -0.46 0.00 2.03 -1.87 -3.46 116.42 113.82 2k5t h ASP 99 Ca -0.47 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 55.65 2k5t h ASP 99 Cb 1.18 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.61 2k5t h ASP 99 CO 0.62 0.66 -0.16 0.00 -1.03 0.00 0.00 179.24 179.32 2k5t n ALA 100 N -2.34 -0.13 -1.35 4.15 0.00 -1.26 -1.14 120.51 118.44 2k5t n ALA 100 Ca -0.04 0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 2k5t n ALA 100 Cb 0.83 -1.68 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 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 0.37 1.00 3.74 0.00 0.00 -1.26 -4.98 105.19 104.06 2k5t n GLY 101 Ca -0.09 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.35 3.00 -0.40 1.61 1.01 -0.29 -4.92 120.40 118.05 2k5t s VAL 102 Ca 0.00 0.82 0.23 0.00 0.00 0.00 0.00 61.98 63.03 2k5t s VAL 102 Cb 0.00 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 2k5t s VAL 102 CO 0.00 0.12 0.97 -0.62 0.00 0.00 0.00 175.10 175.57 2k5t n GLU 103 N 2.62 0.45 -0.17 2.72 -0.58 -1.26 -3.38 120.64 121.03 2k5t n GLU 103 Ca 0.07 0.01 0.01 0.00 -0.42 0.00 0.00 57.16 56.83 2k5t n GLU 103 Cb 0.42 -1.66 0.08 0.00 -0.57 0.00 0.00 31.44 29.70 2k5t n GLU 103 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2k5t n ASP 104 N -2.25 1.87 0.24 1.62 8.00 -1.26 -4.19 116.55 120.58 2k5t n ASP 104 Ca 0.00 -2.17 0.09 0.00 0.71 0.00 0.00 54.79 53.42 2k5t n ASP 104 Cb 0.49 -0.52 0.62 0.00 -0.02 0.00 0.00 41.12 41.69 2k5t n ASP 104 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2k5t h ARG 105 N 0.78 0.00 -0.18 -1.24 2.43 -1.95 0.59 114.38 114.82 2k5t h ARG 105 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k5t h ARG 105 Cb 0.76 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2k5t h ARG 105 CO 0.09 0.17 0.12 0.78 -1.51 0.00 0.00 179.97 179.62 2k5t h GLY 106 N 0.79 0.26 0.99 2.80 0.00 -1.88 0.41 103.07 106.44 2k5t h GLY 106 Ca -0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 2k5t h GLY 106 CO 0.02 0.09 0.03 -2.08 0.00 0.00 0.00 176.54 174.61 2k5t h VAL 107 N 0.25 1.26 -0.19 4.60 2.07 -1.66 -2.50 116.25 120.08 2k5t h VAL 107 Ca 0.07 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.59 2k5t h VAL 107 Cb -0.03 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2k5t h VAL 107 CO -0.01 0.35 0.10 0.24 0.02 0.00 0.00 177.57 178.27 2k5t h MET 108 N 0.69 0.20 -0.44 1.57 2.07 -0.55 -1.22 114.93 117.26 2k5t h MET 108 Ca 0.14 -0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.72 2k5t h MET 108 Cb 0.46 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.13 2k5t h MET 108 CO 0.02 0.13 0.09 1.15 1.07 0.00 0.00 176.91 179.37 2k5t h THR 109 N 0.21 1.20 -0.68 2.22 2.02 -0.17 0.25 112.91 117.96 2k5t h THR 109 Ca 0.08 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 2k5t h THR 109 Cb 0.01 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2k5t h THR 109 CO -0.05 0.27 0.40 0.00 0.37 0.00 0.00 175.52 176.51 2k5t h ALA 110 N 1.46 0.86 -0.49 6.16 0.00 -0.96 0.31 119.26 126.60 2k5t h ALA 110 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2k5t h ALA 110 Cb 0.27 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2k5t h ALA 110 CO -0.00 0.34 0.25 0.35 0.00 0.00 0.00 179.25 180.19 2k5t h PHE 111 N 0.92 0.70 -0.16 0.00 3.57 -0.41 -2.39 116.94 119.17 2k5t h PHE 111 Ca 0.24 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2k5t h PHE 111 Cb -0.02 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 2k5t h PHE 111 CO -0.01 0.54 0.08 0.52 -2.23 0.00 0.00 178.31 177.21 2k5t h MET 112 N 0.66 0.24 -0.61 1.11 2.86 0.28 -1.32 114.93 118.15 2k5t h MET 112 Ca 0.17 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 2k5t h MET 112 Cb 0.10 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2k5t h MET 112 CO -0.02 0.28 0.09 1.96 1.06 0.00 0.00 176.91 180.27 2k5t h GLN 113 N 0.14 0.99 0.00 1.72 4.20 -0.40 0.32 115.11 122.08 2k5t h GLN 113 Ca 0.06 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 2k5t h GLN 113 Cb 0.12 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2k5t h GLN 113 CO -0.01 0.92 -0.15 0.00 -0.67 0.00 0.00 178.83 178.92 2k5t h ALA 114 N 1.16 0.94 0.07 3.87 0.00 -1.31 -3.26 119.26 120.73 2k5t h ALA 114 Ca 0.19 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 2k5t h ALA 114 Cb 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2k5t h ALA 114 CO 0.01 0.19 -1.35 1.25 0.00 0.00 0.00 179.25 179.35 2k5t h LEU 115 N 0.00 0.23 0.00 0.00 5.85 -0.76 -3.49 115.31 117.14 2k5t h LEU 115 Ca -0.00 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 57.96 2k5t h LEU 115 Cb 0.91 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2k5t h LEU 115 CO 0.02 1.57 0.00 0.61 -0.34 0.00 0.00 178.44 180.30 2k5t n GLY 116 N 1.67 0.10 3.41 3.75 0.00 0.84 -5.09 105.19 109.86 2k5t n GLY 116 Ca -0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.11 2.23 0.08 1.61 0.08 0.50 -4.90 117.98 117.48 2k5t s PHE 117 Ca 0.00 -0.37 0.10 0.00 0.12 0.00 0.00 56.93 56.78 2k5t s PHE 117 Cb 0.00 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.29 2k5t s PHE 117 CO 0.00 0.46 -0.27 0.99 -0.10 0.00 0.00 175.22 176.30 2k5t s THR 118 N -1.63 2.19 -0.25 0.64 2.01 -0.98 -4.09 115.64 113.52 2k5t s THR 118 Ca 0.19 -1.55 -0.13 0.00 0.31 0.00 0.00 61.69 60.51 2k5t s THR 118 Cb -0.08 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2k5t s THR 118 CO 0.09 0.25 0.30 -0.89 -0.69 0.00 0.00 174.62 173.68 2k5t s THR 119 N -0.92 5.24 -0.26 -0.82 2.01 -1.26 0.52 115.64 120.16 2k5t s THR 119 Ca 0.13 0.44 -0.03 0.00 0.31 0.00 0.00 61.69 62.54 2k5t s THR 119 Cb -0.10 -3.63 0.08 0.00 0.01 0.00 0.00 72.50 68.86 2k5t s THR 119 CO 0.04 0.23 0.09 -1.10 -0.69 0.00 0.00 174.62 173.18 2k5t s GLN 120 N 1.70 0.46 -1.49 4.92 -1.52 0.57 -4.94 119.66 119.36 2k5t s GLN 120 Ca 0.13 -0.62 -0.06 0.00 -1.95 0.00 0.00 55.36 52.85 2k5t s GLN 120 Cb -0.15 -1.74 0.02 0.00 -0.22 0.00 0.00 33.01 30.92 2k5t s GLN 120 CO 0.09 -0.87 0.70 1.04 -0.25 0.00 0.00 175.29 176.00 2k5t n GLN 121 N 5.08 -5.19 0.00 2.91 6.02 -1.26 -3.87 117.38 121.06 2k5t n GLN 121 Ca -0.06 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 2k5t n GLN 121 Cb 0.44 -5.70 0.00 0.00 1.02 0.00 0.00 30.24 26.01 2k5t n GLN 121 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k5t n GLY 122 N -1.56 0.86 0.00 1.08 0.00 -1.26 -5.11 105.19 99.20 2k5t n GLY 122 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.84 3.77 -0.02 0.00 -1.25 -4.72 105.19 103.81 2k5t n GLY 123 Ca 0.00 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.22 3.38 -0.03 1.61 0.51 0.26 -0.32 118.94 123.13 2k5t s TRP 124 Ca 0.00 0.33 0.05 0.00 -2.12 0.00 0.00 56.10 54.36 2k5t s TRP 124 Cb 0.00 -1.92 -0.01 0.00 -0.81 0.00 0.00 33.47 30.73 2k5t s TRP 124 CO 0.00 0.53 -0.18 -2.00 -0.51 0.00 0.00 176.95 174.79 2k5t s GLU 125 N -0.68 1.70 -0.36 4.98 2.12 0.18 0.27 118.70 126.91 2k5t s GLU 125 Ca 0.12 -0.65 -0.00 0.00 0.36 0.00 0.00 54.97 54.80 2k5t s GLU 125 Cb -0.12 -1.54 0.13 0.00 0.26 0.00 0.00 34.13 32.86 2k5t s GLU 125 CO 0.02 0.32 0.20 0.21 -0.54 0.00 0.00 175.26 175.47 2k5t s LYS 126 N -0.18 0.68 -0.40 4.30 2.20 0.37 -2.33 119.74 124.37 2k5t s LYS 126 Ca 0.01 -1.37 -0.21 0.00 -0.36 0.00 0.00 55.97 54.04 2k5t s LYS 126 Cb -0.10 -1.55 0.01 0.00 -1.51 0.00 0.00 37.83 34.68 2k5t s LYS 126 CO 0.01 -1.16 0.64 0.00 -0.36 0.00 0.00 175.35 174.48