#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 4.00 -0.50 0.03 2.20 -1.26 -5.03 119.74 119.18 2k5t s LYS 2 Ca 0.00 0.33 -0.28 0.00 -0.36 0.00 0.00 55.97 55.66 2k5t s LYS 2 Cb 0.00 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 33.05 2k5t s LYS 2 CO 0.00 0.55 1.40 -1.17 -0.36 0.00 0.00 175.35 175.77 2k5t s LEU 3 N -0.58 3.48 -0.71 5.43 2.96 -1.26 -4.68 118.68 123.32 2k5t s LEU 3 Ca 0.22 0.49 -0.23 0.00 -0.22 0.00 0.00 54.13 54.39 2k5t s LEU 3 Cb -0.16 -3.25 0.07 0.00 0.50 0.00 0.00 46.19 43.35 2k5t s LEU 3 CO 0.11 -1.59 1.04 -0.89 -1.32 0.00 0.00 176.35 173.70 2k5t s THR 4 N 5.76 4.25 -0.13 3.68 2.01 -0.85 -4.92 115.64 125.44 2k5t s THR 4 Ca 0.55 -0.35 -0.20 0.00 0.31 0.00 0.00 61.69 62.00 2k5t s THR 4 Cb -0.11 -4.74 -0.04 0.00 0.01 0.00 0.00 72.50 67.62 2k5t s THR 4 CO 0.28 -1.54 0.58 -0.63 -0.69 0.00 0.00 174.62 172.62 2k5t s ILE 5 N 4.25 5.10 0.01 1.82 1.09 -1.26 -0.58 121.20 131.63 2k5t s ILE 5 Ca 0.26 1.14 -0.01 0.00 -1.10 0.00 0.00 60.65 60.94 2k5t s ILE 5 Cb -0.14 -3.91 -0.04 0.00 -1.06 0.00 0.00 42.46 37.31 2k5t s ILE 5 CO 0.09 0.24 0.15 -0.63 -0.10 0.00 0.00 174.94 174.69 2k5t s ILE 6 N 1.09 5.18 -0.46 2.92 -1.09 0.14 -4.90 121.20 124.07 2k5t s ILE 6 Ca 0.30 -0.31 -0.16 0.00 -2.23 0.00 0.00 60.65 58.25 2k5t s ILE 6 Cb -0.16 -3.43 0.06 0.00 -1.58 0.00 0.00 42.46 37.35 2k5t s ILE 6 CO 0.12 0.28 0.41 0.00 -1.23 0.00 0.00 174.94 174.53 2k5t s ARG 7 N -2.02 3.00 -1.05 2.79 1.70 -1.26 -0.57 118.95 121.53 2k5t s ARG 7 Ca 0.28 -1.22 -0.23 0.00 -0.47 0.00 0.00 55.73 54.08 2k5t s ARG 7 Cb -0.12 -4.10 -0.02 0.00 -0.57 0.00 0.00 34.95 30.13 2k5t s ARG 7 CO 0.19 -1.00 1.82 -0.51 -1.08 0.00 0.00 175.30 174.72 2k5t s LEU 8 N 1.78 3.29 0.02 -1.89 1.43 0.75 -4.54 118.68 119.52 2k5t s LEU 8 Ca 0.06 -1.33 0.21 0.00 -1.03 0.00 0.00 54.13 52.04 2k5t s LEU 8 Cb -0.23 -2.57 -0.20 0.00 0.03 0.00 0.00 46.19 43.22 2k5t s LEU 8 CO 0.08 -2.39 0.63 1.21 0.23 0.00 0.00 176.35 176.11 2k5t n GLU 9 N 8.65 0.64 -4.08 1.70 2.13 -1.26 -4.05 120.64 124.37 2k5t n GLU 9 Ca 0.41 -0.02 -0.14 0.00 0.66 0.00 0.00 57.16 58.07 2k5t n GLU 9 Cb 0.47 -1.65 -0.13 0.00 0.27 0.00 0.00 31.44 30.40 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 -3.24 0.39 0.05 5.31 3.01 -1.26 -4.94 119.74 119.06 2k5t s LYS 10 Ca -0.05 -0.35 0.09 0.00 -1.01 0.00 0.00 55.97 54.64 2k5t s LYS 10 Cb 0.11 -0.29 -0.03 0.00 -1.01 0.00 0.00 37.83 36.61 2k5t s LYS 10 CO 0.85 0.07 -0.25 -0.06 0.51 0.00 0.00 175.35 176.47 2k5t s PHE 11 N -0.55 2.22 0.32 3.18 0.40 -1.26 -5.12 117.98 117.16 2k5t s PHE 11 Ca -0.03 -0.40 0.08 0.00 -0.60 0.00 0.00 56.93 55.98 2k5t s PHE 11 Cb -0.05 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 2k5t s PHE 11 CO -0.00 0.13 0.17 -1.54 0.70 0.00 0.00 175.22 174.68 2k5t s SER 12 N -1.25 4.94 0.33 1.36 1.04 -1.26 -5.02 113.70 113.84 2k5t s SER 12 Ca 0.11 -0.61 0.10 0.00 0.48 0.00 0.00 55.95 56.03 2k5t s SER 12 Cb -0.10 -0.90 0.59 0.00 0.10 0.00 0.00 66.02 65.71 2k5t s SER 12 CO 0.02 -0.24 1.77 -0.78 0.98 0.00 0.00 173.24 174.99 2k5t h ASP 13 N 1.50 0.12 0.06 7.02 3.58 -2.00 -2.02 116.42 124.68 2k5t h ASP 13 Ca -0.45 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 56.96 2k5t h ASP 13 Cb 1.25 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2k5t h ASP 13 CO 0.61 0.50 -0.03 1.56 -2.88 0.00 0.00 179.24 179.00 2k5t h GLN 14 N 0.10 -0.07 0.00 0.28 4.20 -2.00 -2.23 115.11 115.38 2k5t h GLN 14 Ca 0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 2k5t h GLN 14 Cb 0.73 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 2k5t h GLN 14 CO 0.05 0.23 -0.28 -0.44 -0.67 0.00 0.00 178.83 177.73 2k5t h ASP 15 N -0.37 0.00 0.01 1.46 3.32 -1.95 -0.76 116.42 118.13 2k5t h ASP 15 Ca -0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 2k5t h ASP 15 Cb 0.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2k5t h ASP 15 CO 0.01 0.28 -0.16 -0.09 -1.72 0.00 0.00 179.24 177.56 2k5t h ARG 16 N 0.00 0.30 -0.45 3.56 2.43 -1.20 -1.24 114.38 117.78 2k5t h ARG 16 Ca -0.00 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 2k5t h ARG 16 Cb 0.53 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2k5t h ARG 16 CO 0.04 0.46 0.02 0.82 -1.51 0.00 0.00 179.97 179.79 2k5t h ILE 17 N 0.28 1.26 -0.82 1.20 2.04 -0.52 -1.63 117.51 119.31 2k5t h ILE 17 Ca 0.05 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 64.92 2k5t h ILE 17 Cb 0.45 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 2k5t h ILE 17 CO 0.03 0.35 0.53 0.44 0.00 0.00 0.00 178.15 179.49 2k5t h ASP 18 N 0.62 0.95 -0.93 1.72 3.32 -1.05 0.27 116.42 121.32 2k5t h ASP 18 Ca 0.13 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2k5t h ASP 18 Cb 0.46 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 2k5t h ASP 18 CO 0.02 0.70 0.53 -0.07 -1.72 0.00 0.00 179.24 178.70 2k5t h LEU 19 N 1.11 1.14 0.00 1.55 3.38 -0.97 -0.39 115.31 121.14 2k5t h LEU 19 Ca 0.30 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2k5t h LEU 19 Cb -0.11 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.35 2k5t h LEU 19 CO -0.06 0.90 0.00 1.67 0.09 0.00 0.00 178.44 181.03 2k5t n GLN 20 N -4.34 0.33 0.09 1.13 7.27 -0.40 0.20 117.38 121.67 2k5t n GLN 20 Ca 0.10 0.04 0.12 0.00 0.07 0.00 0.00 57.00 57.33 2k5t n GLN 20 Cb 0.08 -1.50 0.04 0.00 2.41 0.00 0.00 30.24 31.27 2k5t n GLN 20 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2k5t h LYS 21 N 0.00 0.00 0.11 3.69 3.64 0.64 -3.29 116.57 121.37 2k5t h LYS 21 Ca 0.00 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 2k5t h LYS 21 Cb 0.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2k5t h LYS 21 CO 0.00 0.00 -1.97 -0.89 -2.27 0.00 0.00 179.45 174.32 2k5t n ILE 22 N -2.53 1.76 -3.30 2.00 5.41 -0.47 -4.57 119.36 117.67 2k5t n ILE 22 Ca 0.01 -0.67 -0.47 0.00 1.00 0.00 0.00 62.75 62.62 2k5t n ILE 22 Cb 0.52 -1.64 -0.02 0.00 -0.71 0.00 0.00 39.64 37.79 2k5t n ILE 22 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 2k5t s TRP 23 N -2.56 3.77 -0.02 1.39 0.51 0.13 -4.96 118.94 117.20 2k5t s TRP 23 Ca -0.20 -2.02 -0.21 0.00 -2.12 0.00 0.00 56.10 51.55 2k5t s TRP 23 Cb 0.07 -3.86 -0.12 0.00 -0.81 0.00 0.00 33.47 28.75 2k5t s TRP 23 CO 0.77 -1.02 0.87 -1.35 -0.51 0.00 0.00 176.95 175.71 2k5t h PRO 24 N 7.74 -0.63 -0.50 4.98 0.11 -1.80 -3.26 132.00 138.64 2k5t h PRO 24 Ca 0.12 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2k5t h PRO 24 Cb 1.02 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k5t h PRO 24 CO 0.80 -0.37 0.00 0.39 -0.21 0.00 0.00 178.00 178.61 2k5t n GLU 25 N -5.22 2.20 -3.60 1.05 -0.58 -1.26 -4.85 120.64 108.38 2k5t n GLU 25 Ca -0.09 -1.86 -0.36 0.00 -0.42 0.00 0.00 57.16 54.44 2k5t n GLU 25 Cb 0.28 -1.41 -0.07 0.00 -0.57 0.00 0.00 31.44 29.67 2k5t n GLU 25 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2k5t s TYR 26 N -1.34 3.45 -0.42 -0.32 5.04 -1.23 -5.06 117.35 117.48 2k5t s TYR 26 Ca 0.35 0.52 -0.19 0.00 -2.44 0.00 0.00 57.07 55.31 2k5t s TYR 26 Cb 0.18 -2.28 0.02 0.00 0.35 0.00 0.00 41.96 40.23 2k5t s TYR 26 CO 0.24 0.27 0.54 -1.54 -1.34 0.00 0.00 175.55 173.73 2k5t s SER 27 N 0.38 6.27 0.28 4.32 1.04 -1.26 -4.93 113.70 119.81 2k5t s SER 27 Ca 0.14 -0.41 -0.29 0.00 0.48 0.00 0.00 55.95 55.87 2k5t s SER 27 Cb -0.12 -2.27 -0.10 0.00 0.10 0.00 0.00 66.02 63.62 2k5t s SER 27 CO 0.02 -0.65 1.33 -2.84 0.98 0.00 0.00 173.24 172.08 2k5t s PRO 28 N 2.49 4.36 0.00 4.02 0.02 -1.26 -5.01 135.00 139.61 2k5t s PRO 28 Ca 0.18 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.38 2k5t s PRO 28 Cb -0.15 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.26 2k5t s PRO 28 CO 0.16 -0.24 0.00 -1.13 -0.33 0.00 0.00 177.00 175.46 2k5t n SER 29 N 1.54 0.00 -0.12 2.53 3.41 -1.26 -4.99 113.62 114.73 2k5t n SER 29 Ca 0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.38 2k5t n SER 29 Cb 0.42 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.26 2k5t n SER 29 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k5t n SER 30 N 0.00 1.96 -2.46 4.04 7.64 -1.26 -5.02 113.62 118.52 2k5t n SER 30 Ca 0.00 0.21 -0.14 0.00 1.01 0.00 0.00 58.87 59.95 2k5t n SER 30 Cb 0.00 -0.73 0.05 0.00 -1.01 0.00 0.00 64.21 62.53 2k5t n SER 30 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k5t n LEU 31 N -3.95 -2.97 -4.74 -3.43 4.77 -1.26 -4.97 117.00 100.44 2k5t n LEU 31 Ca -0.49 -0.35 -0.41 0.00 -0.03 0.00 0.00 56.01 54.73 2k5t n LEU 31 Cb 0.90 -2.10 -0.03 0.00 -2.33 0.00 0.00 43.42 39.86 2k5t n LEU 31 CO 0.13 0.37 1.03 -1.10 -1.33 0.00 0.00 177.39 176.50 2k5t s GLN 32 N -5.61 4.34 0.23 3.23 -0.21 -1.26 -5.03 119.66 115.36 2k5t s GLN 32 Ca 0.29 2.16 0.03 0.00 0.02 0.00 0.00 55.36 57.86 2k5t s GLN 32 Cb -0.13 -3.15 -0.05 0.00 1.00 0.00 0.00 33.01 30.68 2k5t s GLN 32 CO 0.46 -0.30 0.00 0.14 -2.12 0.00 0.00 175.29 173.46 2k5t s VAL 33 N -0.06 1.03 0.06 1.09 -7.23 -1.26 -4.94 120.40 109.09 2k5t s VAL 33 Ca 0.57 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.69 2k5t s VAL 33 Cb -0.39 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.20 2k5t s VAL 33 CO 0.41 -0.31 0.11 -0.90 -0.31 0.00 0.00 175.10 174.10 2k5t n ASP 34 N -0.42 -0.31 0.14 4.85 5.75 0.13 -4.96 116.55 121.73 2k5t n ASP 34 Ca -0.05 -1.26 0.12 0.00 -0.01 0.00 0.00 54.79 53.59 2k5t n ASP 34 Cb 0.64 0.52 0.50 0.00 -1.03 0.00 0.00 41.12 41.75 2k5t n ASP 34 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2k5t n ASP 35 N -1.40 0.72 -0.10 -1.12 5.75 -1.26 -3.41 116.55 115.72 2k5t n ASP 35 Ca -0.01 0.67 -0.14 0.00 -0.01 0.00 0.00 54.79 55.30 2k5t n ASP 35 Cb 0.09 -0.83 -0.05 0.00 -1.03 0.00 0.00 41.12 39.30 2k5t n ASP 35 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2k5t n ASN 36 N -2.29 1.91 -4.45 -1.12 3.02 -1.26 -4.78 115.26 106.30 2k5t n ASN 36 Ca 0.02 0.40 -0.44 0.00 -0.03 0.00 0.00 54.58 54.53 2k5t n ASN 36 Cb 0.24 -0.80 -0.03 0.00 -0.61 0.00 0.00 39.78 38.58 2k5t n ASN 36 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2k5t s HIS 37 N -2.64 2.96 0.20 3.10 2.46 -1.22 -0.96 115.29 119.19 2k5t s HIS 37 Ca -0.29 -1.09 0.08 0.00 0.47 0.00 0.00 55.06 54.24 2k5t s HIS 37 Cb 0.06 -4.27 -0.04 0.00 -0.13 0.00 0.00 32.58 28.20 2k5t s HIS 37 CO 0.42 -1.53 -0.03 1.03 -2.47 0.00 0.00 174.74 172.16 2k5t s ARG 38 N 3.14 2.26 -0.20 2.88 0.52 -0.42 -0.69 118.95 126.44 2k5t s ARG 38 Ca 0.28 -1.25 -0.03 0.00 -0.52 0.00 0.00 55.73 54.21 2k5t s ARG 38 Cb -0.10 -2.24 -0.01 0.00 0.52 0.00 0.00 34.95 33.13 2k5t s ARG 38 CO -0.02 0.42 -0.08 0.42 0.02 0.00 0.00 175.30 176.06 2k5t s ILE 39 N -1.89 3.16 -0.30 1.52 1.01 -1.26 -0.66 121.20 122.78 2k5t s ILE 39 Ca 0.28 -0.58 -0.17 0.00 0.00 0.00 0.00 60.65 60.18 2k5t s ILE 39 Cb -0.08 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 2k5t s ILE 39 CO 0.18 0.46 0.46 -0.31 0.00 0.00 0.00 174.94 175.73 2k5t s TYR 40 N 1.22 3.23 -0.31 3.97 2.02 0.11 -0.18 117.35 127.40 2k5t s TYR 40 Ca 0.02 0.36 -0.07 0.00 -0.37 0.00 0.00 57.07 57.02 2k5t s TYR 40 Cb -0.14 -2.74 0.02 0.00 -0.40 0.00 0.00 41.96 38.69 2k5t s TYR 40 CO -0.03 -0.37 0.10 0.00 -1.57 0.00 0.00 175.55 173.68 2k5t s ALA 41 N 2.25 3.09 -0.39 3.71 0.00 0.27 -0.94 121.76 129.75 2k5t s ALA 41 Ca 0.18 -1.54 -0.17 0.00 0.00 0.00 0.00 51.96 50.42 2k5t s ALA 41 Cb -0.16 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.75 2k5t s ALA 41 CO 0.11 -1.06 0.47 0.00 0.00 0.00 0.00 175.76 175.27 2k5t s ALA 42 N 1.49 3.44 -0.22 0.00 0.00 0.12 0.24 121.76 126.83 2k5t s ALA 42 Ca 0.02 -1.28 -0.09 0.00 0.00 0.00 0.00 51.96 50.61 2k5t s ALA 42 Cb -0.18 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2k5t s ALA 42 CO 0.03 -1.41 0.10 -0.98 0.00 0.00 0.00 175.76 173.51 2k5t s ARG 43 N 2.26 3.95 -0.55 0.00 1.70 0.25 -1.84 118.95 124.72 2k5t s ARG 43 Ca 0.15 -0.34 -0.06 0.00 -0.47 0.00 0.00 55.73 55.01 2k5t s ARG 43 Cb -0.16 -3.37 0.14 0.00 -0.57 0.00 0.00 34.95 31.00 2k5t s ARG 43 CO 0.14 0.09 0.39 0.12 -1.08 0.00 0.00 175.30 174.96 2k5t s PHE 44 N 0.90 3.49 -0.41 5.89 5.36 0.26 -2.00 117.98 131.47 2k5t s PHE 44 Ca 0.05 -2.31 -0.14 0.00 -0.96 0.00 0.00 56.93 53.57 2k5t s PHE 44 Cb -0.13 -3.37 0.02 0.00 -0.34 0.00 0.00 43.02 39.20 2k5t s PHE 44 CO 0.03 -0.94 0.53 -1.71 -1.46 0.00 0.00 175.22 171.67 2k5t n ASN 45 N 4.23 -7.96 0.00 6.13 5.15 -1.26 -3.89 115.26 117.66 2k5t n ASN 45 Ca 0.01 0.65 0.00 0.00 -0.60 0.00 0.00 54.58 54.64 2k5t n ASN 45 Cb 0.40 -5.39 0.00 0.00 -0.53 0.00 0.00 39.78 34.26 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 -0.18 0.00 -2.35 1.20 -0.58 -1.26 -4.90 120.64 112.57 2k5t n GLU 46 Ca 0.11 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.43 2k5t n GLU 46 Cb 0.40 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.24 2k5t n GLU 46 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2k5t s ARG 47 N 0.00 4.43 -0.69 3.49 0.52 -1.25 -4.87 118.95 120.59 2k5t s ARG 47 Ca 0.00 1.88 -0.27 0.00 -0.52 0.00 0.00 55.73 56.82 2k5t s ARG 47 Cb 0.00 -3.28 0.01 0.00 0.52 0.00 0.00 34.95 32.20 2k5t s ARG 47 CO 0.00 -0.22 1.50 -0.51 0.02 0.00 0.00 175.30 176.09 2k5t s LEU 48 N 0.48 3.22 0.00 2.53 1.43 -1.26 -0.57 118.68 124.50 2k5t s LEU 48 Ca 0.57 -0.14 0.14 0.00 -1.03 0.00 0.00 54.13 53.67 2k5t s LEU 48 Cb -0.32 -2.57 -0.11 0.00 0.03 0.00 0.00 46.19 43.21 2k5t s LEU 48 CO 0.33 -2.03 0.64 0.18 0.23 0.00 0.00 176.35 175.69 2k5t n LEU 49 N 10.61 0.86 -3.81 1.79 4.77 -0.77 -4.90 117.00 125.55 2k5t n LEU 49 Ca 0.10 -0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 55.39 2k5t n LEU 49 Cb 0.50 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 2k5t n LEU 49 CO 0.71 0.19 -0.20 0.00 -1.33 0.00 0.00 177.39 176.76 2k5t s ALA 50 N -2.17 -0.36 -0.02 -1.18 0.00 -0.90 -0.05 121.76 117.07 2k5t s ALA 50 Ca 0.07 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.48 2k5t s ALA 50 Cb 0.11 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2k5t s ALA 50 CO 0.52 -0.08 -0.00 0.00 0.00 0.00 0.00 175.76 176.20 2k5t s ALA 51 N 0.19 0.29 -0.04 0.00 0.00 0.60 0.13 121.76 122.93 2k5t s ALA 51 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 2k5t s ALA 51 Cb -0.02 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.86 2k5t s ALA 51 CO -0.00 -0.05 0.08 0.54 0.00 0.00 0.00 175.76 176.32 2k5t s VAL 52 N 0.84 -0.05 -0.08 0.00 0.11 -0.11 -0.76 120.40 120.34 2k5t s VAL 52 Ca -0.08 0.20 -0.06 0.00 -2.93 0.00 0.00 61.98 59.10 2k5t s VAL 52 Cb -0.12 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 2k5t s VAL 52 CO -0.01 0.08 0.16 -0.13 -3.33 0.00 0.00 175.10 171.87 2k5t s ARG 53 N 1.10 3.46 -0.07 1.54 0.52 -0.50 0.04 118.95 125.04 2k5t s ARG 53 Ca -0.09 -0.16 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 2k5t s ARG 53 Cb -0.12 -3.16 0.02 0.00 0.52 0.00 0.00 34.95 32.20 2k5t s ARG 53 CO -0.04 0.75 -0.09 0.54 0.02 0.00 0.00 175.30 176.48 2k5t s VAL 54 N -1.11 0.90 -0.72 3.52 0.11 0.17 -0.02 120.40 123.23 2k5t s VAL 54 Ca 0.19 -0.31 -0.15 0.00 -2.93 0.00 0.00 61.98 58.78 2k5t s VAL 54 Cb -0.12 -0.87 0.19 0.00 -1.53 0.00 0.00 36.38 34.05 2k5t s VAL 54 CO 0.08 0.31 0.67 -0.89 -3.33 0.00 0.00 175.10 171.95 2k5t s THR 55 N 0.96 5.47 0.24 5.04 2.01 0.17 -1.30 115.64 128.23 2k5t s THR 55 Ca -0.10 -2.13 -0.27 0.00 0.31 0.00 0.00 61.69 59.50 2k5t s THR 55 Cb -0.15 -4.42 -0.09 0.00 0.01 0.00 0.00 72.50 67.85 2k5t s THR 55 CO 0.00 -0.97 0.89 -0.76 -0.69 0.00 0.00 174.62 173.09 2k5t s LEU 56 N 0.67 4.55 -0.42 4.42 1.43 -0.14 -1.17 118.68 128.02 2k5t s LEU 56 Ca 0.13 1.83 0.06 0.00 -1.03 0.00 0.00 54.13 55.11 2k5t s LEU 56 Cb -0.17 -3.63 0.22 0.00 0.03 0.00 0.00 46.19 42.63 2k5t s LEU 56 CO -0.05 0.11 0.53 -0.24 0.23 0.00 0.00 176.35 176.93 2k5t n SER 57 N 1.25 -0.79 0.00 2.29 2.88 0.23 -4.49 113.62 114.99 2k5t n SER 57 Ca -0.02 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 54.84 2k5t n SER 57 Cb 0.48 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2k5t n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k5t n GLY 58 N 2.06 1.75 1.24 0.46 0.00 -1.26 -1.69 105.19 107.75 2k5t n GLY 58 Ca 0.22 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.39 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 1.19 -5.23 2.61 -2.24 -1.26 -4.83 114.28 104.52 2k5t n THR 59 Ca 0.00 -0.88 -0.31 0.00 -2.27 0.00 0.00 64.05 60.58 2k5t n THR 59 Cb 0.00 0.19 -0.16 0.00 -2.10 0.00 0.00 70.33 68.27 2k5t n THR 59 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2k5t s GLU 60 N -1.55 2.27 -0.12 -0.78 2.12 -0.68 -0.30 118.70 119.66 2k5t s GLU 60 Ca 0.41 -0.88 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 2k5t s GLU 60 Cb 0.24 -2.12 0.05 0.00 0.26 0.00 0.00 34.13 32.56 2k5t s GLU 60 CO 0.23 0.54 0.10 0.20 -0.54 0.00 0.00 175.26 175.78 2k5t s GLY 61 N -0.54 0.24 -0.27 -1.50 0.00 0.11 0.75 107.32 106.11 2k5t s GLY 61 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 44.72 44.71 2k5t s GLY 61 CO 0.00 1.63 0.13 0.00 0.00 0.00 0.00 173.10 174.87 2k5t s ALA 62 N 2.18 3.34 -0.18 3.20 0.00 -0.32 -0.12 121.76 129.85 2k5t s ALA 62 Ca 0.04 -1.15 -0.17 0.00 0.00 0.00 0.00 51.96 50.68 2k5t s ALA 62 Cb -0.14 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 2k5t s ALA 62 CO -0.07 -0.58 0.43 -0.51 0.00 0.00 0.00 175.76 175.04 2k5t s LEU 63 N 1.68 4.18 -0.02 0.00 1.02 0.16 0.43 118.68 126.12 2k5t s LEU 63 Ca 0.06 0.61 0.06 0.00 0.02 0.00 0.00 54.13 54.88 2k5t s LEU 63 Cb -0.16 -2.58 -0.01 0.00 0.02 0.00 0.00 46.19 43.46 2k5t s LEU 63 CO 0.07 -0.07 -0.19 -0.62 0.02 0.00 0.00 176.35 175.56 2k5t s ASP 64 N 0.95 2.27 -0.33 2.29 -1.08 0.97 -2.28 116.67 119.46 2k5t s ASP 64 Ca 0.21 -0.35 -0.04 0.00 -0.52 0.00 0.00 52.55 51.85 2k5t s ASP 64 Cb -0.15 -0.34 0.01 0.00 -1.46 0.00 0.00 42.92 40.98 2k5t s ASP 64 CO 0.08 0.22 0.16 -1.20 0.52 0.00 0.00 175.17 174.95 2k5t n SER 65 N 2.72 -7.74 -4.25 -0.34 7.64 0.45 -1.41 113.62 110.70 2k5t n SER 65 Ca -0.16 1.14 -0.39 0.00 1.01 0.00 0.00 58.87 60.48 2k5t n SER 65 Cb 0.53 -5.16 -0.11 0.00 -1.01 0.00 0.00 64.21 58.46 2k5t n SER 65 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2k5t s LEU 66 N -1.82 4.83 -0.10 -3.43 2.96 -1.26 -2.42 118.68 117.44 2k5t s LEU 66 Ca 0.06 -1.42 -0.01 0.00 -0.22 0.00 0.00 54.13 52.55 2k5t s LEU 66 Cb -0.02 -1.92 0.03 0.00 0.50 0.00 0.00 46.19 44.78 2k5t s LEU 66 CO 0.74 -0.45 -0.05 -0.13 -1.32 0.00 0.00 176.35 175.14 2k5t s ARG 67 N 1.38 1.23 -0.05 1.98 0.52 0.06 -4.81 118.95 119.26 2k5t s ARG 67 Ca 0.02 -0.15 0.01 0.00 -0.52 0.00 0.00 55.73 55.09 2k5t s ARG 67 Cb -0.22 -1.41 -0.03 0.00 0.52 0.00 0.00 34.95 33.81 2k5t s ARG 67 CO 0.02 -0.29 -0.04 0.08 0.02 0.00 0.00 175.30 175.09 2k5t s VAL 68 N 1.79 3.95 0.69 3.52 1.01 -1.26 -0.29 120.40 129.80 2k5t s VAL 68 Ca 0.05 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 2k5t s VAL 68 Cb -0.13 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.62 2k5t s VAL 68 CO -0.07 0.52 1.04 -0.60 0.00 0.00 0.00 175.10 175.99 2k5t s ARG 69 N -1.08 2.59 0.33 2.72 3.52 0.93 -4.94 118.95 123.01 2k5t s ARG 69 Ca 0.15 0.12 0.10 0.00 -0.13 0.00 0.00 55.73 55.97 2k5t s ARG 69 Cb -0.11 -2.11 0.90 0.00 -1.56 0.00 0.00 34.95 32.07 2k5t s ARG 69 CO 0.04 -1.08 1.74 0.93 -0.81 0.00 0.00 175.30 176.12 2k5t h GLU 70 N -0.57 0.55 0.00 5.12 5.08 -1.98 -1.23 114.58 121.55 2k5t h GLU 70 Ca -0.45 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2k5t h GLU 70 Cb 1.28 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2k5t h GLU 70 CO 0.63 0.37 -0.09 0.28 -1.00 0.00 0.00 179.01 179.19 2k5t h VAL 71 N 0.57 0.90 -0.51 3.13 2.07 -1.94 -2.94 116.25 117.53 2k5t h VAL 71 Ca 0.64 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.82 2k5t h VAL 71 Cb 1.24 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2k5t h VAL 71 CO -0.45 0.09 0.00 0.41 0.02 0.00 0.00 177.57 177.64 2k5t n THR 72 N -4.18 2.25 -2.58 2.57 -1.04 -0.46 -4.75 114.28 106.08 2k5t n THR 72 Ca -0.03 -1.18 -0.42 0.00 -2.04 0.00 0.00 64.05 60.39 2k5t n THR 72 Cb 0.17 -0.24 -0.01 0.00 -1.82 0.00 0.00 70.33 68.43 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 -2.39 3.80 0.00 -2.82 3.52 -1.11 -4.57 118.95 115.37 2k5t s ARG 73 Ca 0.47 -1.59 0.00 0.00 -0.13 0.00 0.00 55.73 54.48 2k5t s ARG 73 Cb 0.35 -5.44 0.00 0.00 -1.56 0.00 0.00 34.95 28.30 2k5t s ARG 73 CO 0.15 -2.22 0.00 0.54 -0.81 0.00 0.00 175.30 172.96 2k5t n ARG 74 N 8.56 0.00 0.00 5.12 1.74 -1.26 -5.14 116.66 125.68 2k5t n ARG 74 Ca 0.41 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 2k5t n ARG 74 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 2k5t n ARG 74 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2k5t n ARG 75 N -0.39 0.00 0.00 5.56 1.85 -1.26 -5.07 116.66 117.35 2k5t n ARG 75 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2k5t n ARG 75 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2k5t n ARG 75 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2k5t n GLY 76 N 0.00 2.07 0.35 2.89 0.00 -1.26 -4.97 105.19 104.27 2k5t n GLY 76 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 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 0.34 1.61 0.31 -1.26 0.73 118.33 119.58 2k5t n VAL 77 Ca 0.00 2.13 -0.19 0.00 -0.01 0.00 0.00 64.34 66.27 2k5t n VAL 77 Cb 0.00 -2.81 -0.10 0.00 -0.91 0.00 0.00 33.84 30.03 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 -1.23 1.59 2.92 0.00 -1.93 0.35 103.07 104.77 2k5t h GLY 78 Ca 0.31 0.54 -0.05 0.00 0.00 0.00 0.00 47.33 48.13 2k5t h GLY 78 CO -0.90 -0.40 -0.02 1.46 0.00 0.00 0.00 176.54 176.68 2k5t h GLN 79 N -1.05 0.51 -0.66 4.80 4.20 -1.59 -1.92 115.11 119.40 2k5t h GLN 79 Ca -0.08 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 2k5t h GLN 79 Cb 0.88 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 2k5t h GLN 79 CO 0.01 0.55 0.23 -0.92 -0.67 0.00 0.00 178.83 178.03 2k5t h TYR 80 N 0.48 1.02 -0.23 2.96 3.20 0.58 0.31 116.97 125.30 2k5t h TYR 80 Ca 0.10 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 61.94 2k5t h TYR 80 Cb 0.35 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 2k5t h TYR 80 CO 0.01 0.80 -0.05 1.25 -1.64 0.00 0.00 178.16 178.53 2k5t h LEU 81 N 0.97 -0.20 -0.48 2.82 5.85 0.50 0.41 115.31 125.17 2k5t h LEU 81 Ca 0.22 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 2k5t h LEU 81 Cb 0.24 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2k5t h LEU 81 CO -0.01 -0.07 0.18 -0.07 -0.34 0.00 0.00 178.44 178.13 2k5t h LEU 82 N 0.01 0.68 -0.75 2.25 -0.00 -1.22 -2.43 115.31 113.84 2k5t h LEU 82 Ca 0.11 -0.18 0.02 0.00 -0.00 0.00 0.00 57.88 57.83 2k5t h LEU 82 Cb 0.16 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.60 2k5t h LEU 82 CO -0.23 0.67 0.49 -0.33 -0.00 0.00 0.00 178.44 179.04 2k5t h GLU 83 N 0.64 0.95 -0.58 1.13 5.08 -0.40 -2.37 114.58 119.03 2k5t h GLU 83 Ca 0.16 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2k5t h GLU 83 Cb 0.22 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2k5t h GLU 83 CO -0.01 0.63 0.38 1.49 -1.00 0.00 0.00 179.01 180.49 2k5t h GLU 84 N 0.98 0.78 -0.49 2.33 4.57 0.00 -1.56 114.58 121.18 2k5t h GLU 84 Ca 0.29 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2k5t h GLU 84 Cb -0.05 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.34 2k5t h GLU 84 CO -0.09 0.53 0.31 0.28 -1.18 0.00 0.00 179.01 178.86 2k5t h VAL 85 N 0.79 1.14 0.00 0.32 2.07 -1.02 0.38 116.25 119.93 2k5t h VAL 85 Ca 0.21 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2k5t h VAL 85 Cb -0.07 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2k5t h VAL 85 CO -0.04 0.14 0.00 -0.07 0.02 0.00 0.00 177.57 177.62 2k5t h LEU 86 N 0.66 0.00 0.01 2.57 4.07 -1.15 0.59 115.31 122.06 2k5t h LEU 86 Ca 0.18 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.82 2k5t h LEU 86 Cb -0.03 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.66 2k5t h LEU 86 CO -0.03 0.00 -1.91 0.54 -1.08 0.00 0.00 178.44 175.96 2k5t n ARG 87 N -2.53 0.65 -0.03 1.13 1.74 -0.61 -4.40 116.66 112.60 2k5t n ARG 87 Ca 0.03 0.21 -0.13 0.00 -0.77 0.00 0.00 57.85 57.19 2k5t n ARG 87 Cb 0.34 -1.72 -0.11 0.00 -1.02 0.00 0.00 32.46 29.95 2k5t n ARG 87 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 2k5t h ASN 88 N 0.00 -0.02 -3.82 0.55 -1.24 0.06 -3.45 115.58 107.67 2k5t h ASN 88 Ca -0.36 -0.66 -0.48 0.00 0.71 0.00 0.00 56.30 55.51 2k5t h ASN 88 Cb 2.07 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 41.11 2k5t h ASN 88 CO 0.06 0.67 0.24 0.20 -1.29 0.00 0.00 177.43 177.31 2k5t s ASN 89 N -5.86 7.06 0.58 1.15 -0.87 0.17 -5.07 114.94 112.10 2k5t s ASN 89 Ca -0.17 1.59 0.00 0.00 -1.57 0.00 0.00 52.86 52.71 2k5t s ASN 89 Cb -0.00 -2.49 0.00 0.00 -0.02 0.00 0.00 41.25 38.74 2k5t s ASN 89 CO 0.66 -0.14 0.00 -2.65 -2.57 0.00 0.00 177.10 172.39 2k5t n PRO 90 N 0.12 -0.37 -1.89 -0.60 -0.02 -1.26 -4.75 135.00 126.23 2k5t n PRO 90 Ca 0.02 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.28 2k5t n PRO 90 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.93 2k5t n PRO 90 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2k5t s GLY 91 N -1.76 -0.25 -0.18 -1.23 0.00 -1.26 -4.91 107.32 97.73 2k5t s GLY 91 Ca 0.00 -1.61 -0.27 0.00 0.00 0.00 0.00 44.72 42.84 2k5t s GLY 91 CO 0.00 3.79 0.91 0.14 0.00 0.00 0.00 173.10 177.95 2k5t s VAL 92 N 12.55 4.81 -0.01 1.40 1.01 -1.26 -4.95 120.40 133.95 2k5t s VAL 92 Ca 0.75 1.80 -0.22 0.00 0.00 0.00 0.00 61.98 64.31 2k5t s VAL 92 Cb -0.05 -4.21 -0.14 0.00 0.00 0.00 0.00 36.38 31.98 2k5t s VAL 92 CO 0.09 -0.03 0.98 0.28 0.00 0.00 0.00 175.10 176.42 2k5t h SER 93 N 7.35 -0.51 -3.46 3.32 0.02 -1.38 -3.42 113.55 115.47 2k5t h SER 93 Ca -0.27 -0.08 -0.72 0.00 -0.84 0.00 0.00 61.79 59.89 2k5t h SER 93 Cb 1.11 0.13 -0.25 0.00 0.14 0.00 0.00 62.40 63.54 2k5t h SER 93 CO 0.88 -0.10 -0.44 0.00 -1.14 0.00 0.00 176.83 176.02 2k5t s TRP 95 N 1.54 3.20 -0.17 0.00 0.52 -0.30 0.07 118.94 123.80 2k5t s TRP 95 Ca 0.03 -0.40 -0.07 0.00 0.02 0.00 0.00 56.10 55.68 2k5t s TRP 95 Cb -0.22 -2.77 -0.04 0.00 -1.15 0.00 0.00 33.47 29.29 2k5t s TRP 95 CO 0.05 -0.64 0.05 -0.46 0.02 0.00 0.00 176.95 175.98 2k5t s TRP 96 N 1.98 3.25 -0.03 -1.98 -0.11 0.82 -0.72 118.94 122.16 2k5t s TRP 96 Ca 0.10 0.10 0.04 0.00 1.22 0.00 0.00 56.10 57.55 2k5t s TRP 96 Cb -0.18 -2.03 -0.00 0.00 -1.50 0.00 0.00 33.47 29.76 2k5t s TRP 96 CO 0.12 0.22 -0.14 -1.64 -4.62 0.00 0.00 176.95 170.89 2k5t s MET 97 N 0.13 1.33 0.37 5.86 -1.94 0.26 0.36 119.30 125.68 2k5t s MET 97 Ca 0.04 -0.50 0.06 0.00 -1.71 0.00 0.00 55.69 53.59 2k5t s MET 97 Cb -0.12 -1.22 -0.07 0.00 2.01 0.00 0.00 34.83 35.42 2k5t s MET 97 CO 0.01 0.24 0.01 0.00 -0.01 0.00 0.00 175.02 175.27 2k5t s ALA 98 N -0.07 2.87 -2.36 3.03 0.00 -0.97 -0.70 121.76 123.56 2k5t s ALA 98 Ca 0.00 -2.20 0.22 0.00 0.00 0.00 0.00 51.96 49.99 2k5t s ALA 98 Cb -0.08 0.30 0.50 0.00 0.00 0.00 0.00 23.12 23.83 2k5t s ALA 98 CO 0.01 -0.16 1.44 -0.40 0.00 0.00 0.00 175.76 176.65 2k5t n ASP 99 N -0.85 3.24 -4.69 0.00 5.75 -1.26 -4.68 116.55 114.06 2k5t n ASP 99 Ca -0.04 -1.96 -0.42 0.00 -0.01 0.00 0.00 54.79 52.36 2k5t n ASP 99 Cb 0.66 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.46 2k5t n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k5t s ALA 100 N -1.46 3.71 0.00 2.12 0.00 -1.26 -1.12 121.76 123.74 2k5t s ALA 100 Ca 0.39 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.65 2k5t s ALA 100 Cb 0.22 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2k5t s ALA 100 CO 0.31 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.28 2k5t n GLY 101 N 4.13 0.54 3.29 0.00 0.00 -1.26 -0.41 105.19 111.48 2k5t n GLY 101 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.15 2.91 0.19 1.61 1.01 -0.28 -4.71 120.40 118.98 2k5t s VAL 102 Ca 0.00 -0.68 0.18 0.00 0.00 0.00 0.00 61.98 61.48 2k5t s VAL 102 Cb 0.00 -2.26 0.13 0.00 0.00 0.00 0.00 36.38 34.25 2k5t s VAL 102 CO 0.00 0.49 1.73 -0.33 0.00 0.00 0.00 175.10 177.00 2k5t h GLU 103 N 7.45 0.00 -4.72 2.72 3.07 -1.97 -3.40 114.58 117.72 2k5t h GLU 103 Ca -0.35 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 57.84 2k5t h GLU 103 Cb 1.18 0.00 -0.38 0.00 -0.84 0.00 0.00 28.75 28.71 2k5t h GLU 103 CO 0.58 0.39 -0.72 0.34 -1.40 0.00 0.00 179.01 178.20 2k5t s ASP 104 N -6.48 4.75 0.30 1.42 -1.08 -1.26 -4.95 116.67 109.38 2k5t s ASP 104 Ca -0.00 -1.89 0.14 0.00 -0.52 0.00 0.00 52.55 50.28 2k5t s ASP 104 Cb 0.11 -1.64 0.43 0.00 -1.46 0.00 0.00 42.92 40.37 2k5t s ASP 104 CO 0.69 -0.34 1.63 -0.09 0.52 0.00 0.00 175.17 177.58 2k5t h ARG 105 N 7.73 0.00 0.14 4.34 2.43 -1.93 -2.66 114.38 124.43 2k5t h ARG 105 Ca -0.10 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2k5t h ARG 105 Cb 1.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2k5t h ARG 105 CO 0.53 0.54 -0.07 0.78 -1.51 0.00 0.00 179.97 180.24 2k5t h GLY 106 N 2.08 -0.19 0.99 2.80 0.00 -1.98 0.78 103.07 107.55 2k5t h GLY 106 Ca -0.01 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.41 2k5t h GLY 106 CO 0.07 -0.07 0.61 -2.08 0.00 0.00 0.00 176.54 175.07 2k5t h VAL 107 N -0.38 1.22 -0.61 4.60 2.07 -1.99 -1.41 116.25 119.75 2k5t h VAL 107 Ca -0.02 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2k5t h VAL 107 Cb 0.31 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 2k5t h VAL 107 CO 0.03 0.23 0.34 -0.03 0.02 0.00 0.00 177.57 178.16 2k5t h MET 108 N 1.24 0.85 -0.11 1.57 -1.53 -1.28 0.64 114.93 116.32 2k5t h MET 108 Ca 0.34 -0.10 -0.00 0.00 -3.44 0.00 0.00 59.70 56.50 2k5t h MET 108 Cb -0.12 -0.17 -0.01 0.00 -0.55 0.00 0.00 31.60 30.75 2k5t h MET 108 CO -0.08 0.65 0.06 1.15 0.14 0.00 0.00 176.91 178.83 2k5t h THR 109 N 0.83 1.07 -0.81 -0.77 2.02 -0.30 -0.29 112.91 114.67 2k5t h THR 109 Ca 0.22 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 2k5t h THR 109 Cb 0.04 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 2k5t h THR 109 CO -0.04 0.06 0.45 0.00 0.37 0.00 0.00 175.52 176.37 2k5t h ALA 110 N 0.98 1.04 -0.20 6.16 0.00 -1.03 -1.47 119.26 124.75 2k5t h ALA 110 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k5t h ALA 110 Cb 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2k5t h ALA 110 CO -0.01 0.54 0.10 0.35 0.00 0.00 0.00 179.25 180.23 2k5t h PHE 111 N 1.13 0.29 -0.31 0.00 3.57 -0.62 -1.22 116.94 119.78 2k5t h PHE 111 Ca 0.29 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 2k5t h PHE 111 Cb 0.02 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2k5t h PHE 111 CO 0.00 0.30 0.13 0.52 -2.23 0.00 0.00 178.31 177.03 2k5t h MET 112 N 0.20 0.46 -0.01 1.11 2.86 -0.78 -0.94 114.93 117.82 2k5t h MET 112 Ca 0.07 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 2k5t h MET 112 Cb 0.12 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2k5t h MET 112 CO -0.01 0.46 -0.42 0.37 1.06 0.00 0.00 176.91 178.37 2k5t h GLN 113 N 0.35 0.02 0.00 1.72 4.15 -1.24 0.18 115.11 120.29 2k5t h GLN 113 Ca 0.10 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.40 2k5t h GLN 113 Cb 0.18 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 2k5t h GLN 113 CO -0.01 0.44 -0.55 0.00 -1.93 0.00 0.00 178.83 176.78 2k5t h ALA 114 N 1.56 0.80 0.00 3.38 0.00 -0.91 -3.31 119.26 120.78 2k5t h ALA 114 Ca -0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2k5t h ALA 114 Cb 0.76 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2k5t h ALA 114 CO 0.06 0.69 -0.26 1.25 0.00 0.00 0.00 179.25 180.99 2k5t h LEU 115 N 0.00 0.00 0.00 0.00 6.46 -0.57 -3.49 115.31 117.71 2k5t h LEU 115 Ca -0.01 -0.75 0.00 0.00 -0.12 0.00 0.00 57.88 57.00 2k5t h LEU 115 Cb 1.20 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 2k5t h LEU 115 CO 0.07 1.03 0.00 0.61 -0.62 0.00 0.00 178.44 179.53 2k5t n GLY 116 N 1.60 0.00 3.19 3.75 0.00 0.44 -5.10 105.19 109.06 2k5t n GLY 116 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 2.04 0.09 1.61 0.08 -0.01 -4.99 117.98 116.81 2k5t s PHE 117 Ca 0.00 -0.63 -0.11 0.00 0.12 0.00 0.00 56.93 56.31 2k5t s PHE 117 Cb 0.00 -1.36 -0.06 0.00 -0.57 0.00 0.00 43.02 41.02 2k5t s PHE 117 CO 0.00 -0.21 0.44 0.99 -0.10 0.00 0.00 175.22 176.33 2k5t s THR 118 N 0.03 5.03 -0.33 0.64 2.01 -1.26 -3.95 115.64 117.82 2k5t s THR 118 Ca -0.06 0.57 -0.15 0.00 0.31 0.00 0.00 61.69 62.36 2k5t s THR 118 Cb -0.13 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 2k5t s THR 118 CO 0.03 0.29 0.35 0.28 -0.69 0.00 0.00 174.62 174.88 2k5t s THR 119 N -1.40 5.18 -0.01 -0.82 -1.32 -1.26 -0.66 115.64 115.35 2k5t s THR 119 Ca 0.34 0.13 -0.01 0.00 -1.21 0.00 0.00 61.69 60.94 2k5t s THR 119 Cb -0.14 -3.78 0.00 0.00 -1.51 0.00 0.00 72.50 67.08 2k5t s THR 119 CO 0.18 -0.02 0.04 -1.10 -2.21 0.00 0.00 174.62 171.51 2k5t s GLN 120 N 2.00 0.05 -1.34 7.08 -0.21 0.45 -4.83 119.66 122.85 2k5t s GLN 120 Ca 0.12 0.04 -0.01 0.00 0.02 0.00 0.00 55.36 55.53 2k5t s GLN 120 Cb -0.16 0.02 0.01 0.00 1.00 0.00 0.00 33.01 33.88 2k5t s GLN 120 CO 0.11 -0.01 0.10 1.04 -2.12 0.00 0.00 175.29 174.42 2k5t n GLN 121 N 3.03 -2.43 0.00 2.91 6.02 -1.26 -2.52 117.38 123.13 2k5t n GLN 121 Ca -0.12 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 2k5t n GLN 121 Cb 0.60 -5.40 0.00 0.00 1.02 0.00 0.00 30.24 26.46 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 -0.97 2.82 0.00 1.08 0.00 -1.26 -4.99 105.19 101.87 2k5t n GLY 122 Ca -0.16 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 1.43 3.13 -0.02 0.00 -1.05 -5.02 105.19 103.66 2k5t n GLY 123 Ca 0.00 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 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 1.80 2.49 -0.17 1.61 0.51 0.12 -0.41 118.94 124.88 2k5t s TRP 124 Ca 0.00 -1.27 0.01 0.00 -2.12 0.00 0.00 56.10 52.72 2k5t s TRP 124 Cb 0.00 -1.72 0.02 0.00 -0.81 0.00 0.00 33.47 30.95 2k5t s TRP 124 CO 0.00 -0.61 -0.19 -1.21 -0.51 0.00 0.00 176.95 174.43 2k5t s GLU 125 N 0.95 3.03 -0.37 4.98 2.02 0.17 -0.57 118.70 128.90 2k5t s GLU 125 Ca -0.05 -0.82 0.02 0.00 0.02 0.00 0.00 54.97 54.14 2k5t s GLU 125 Cb -0.15 -2.58 0.11 0.00 0.10 0.00 0.00 34.13 31.62 2k5t s GLU 125 CO -0.04 -0.16 0.13 0.21 0.02 0.00 0.00 175.26 175.42 2k5t s LYS 126 N 1.19 1.21 -0.23 1.61 2.20 0.10 -4.06 119.74 121.77 2k5t s LYS 126 Ca 0.02 -1.69 -0.08 0.00 -0.36 0.00 0.00 55.97 53.86 2k5t s LYS 126 Cb -0.14 -2.59 -0.04 0.00 -1.51 0.00 0.00 37.83 33.55 2k5t s LYS 126 CO -0.10 -1.02 0.09 0.00 -0.36 0.00 0.00 175.35 173.96