#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 1.45 -0.73 3.17 1.02 -1.26 -5.04 119.74 118.34 2k5t s LYS 2 Ca 0.00 -1.51 -0.23 0.00 0.02 0.00 0.00 55.97 54.25 2k5t s LYS 2 Cb 0.00 -1.66 0.07 0.00 -0.52 0.00 0.00 37.83 35.72 2k5t s LYS 2 CO 0.00 0.35 1.08 -1.17 -0.92 0.00 0.00 175.35 174.69 2k5t s LEU 3 N -2.74 4.16 -0.95 3.17 2.96 -1.26 -3.72 118.68 120.31 2k5t s LEU 3 Ca 0.20 -1.05 -0.19 0.00 -0.22 0.00 0.00 54.13 52.87 2k5t s LEU 3 Cb -0.07 -2.45 0.12 0.00 0.50 0.00 0.00 46.19 44.29 2k5t s LEU 3 CO 0.09 -1.48 1.18 -0.89 -1.32 0.00 0.00 176.35 173.93 2k5t s THR 4 N 4.29 4.61 -0.17 3.68 2.01 0.56 -4.87 115.64 125.76 2k5t s THR 4 Ca 0.28 -1.47 -0.14 0.00 0.31 0.00 0.00 61.69 60.66 2k5t s THR 4 Cb -0.12 -4.82 -0.05 0.00 0.01 0.00 0.00 72.50 67.52 2k5t s THR 4 CO 0.07 -1.58 0.30 -0.51 -0.69 0.00 0.00 174.62 172.22 2k5t s ILE 5 N 3.01 5.30 0.12 1.82 2.07 -1.26 -0.80 121.20 131.46 2k5t s ILE 5 Ca 0.35 0.55 0.06 0.00 -1.41 0.00 0.00 60.65 60.20 2k5t s ILE 5 Cb -0.04 -3.64 -0.04 0.00 0.13 0.00 0.00 42.46 38.87 2k5t s ILE 5 CO -0.09 0.37 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.53 2k5t s ILE 6 N 0.58 1.37 -0.34 2.00 1.01 0.24 -4.93 121.20 121.12 2k5t s ILE 6 Ca 0.16 -1.73 -0.29 0.00 0.00 0.00 0.00 60.65 58.80 2k5t s ILE 6 Cb -0.13 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.79 2k5t s ILE 6 CO 0.04 -0.40 1.27 0.00 0.00 0.00 0.00 174.94 175.85 2k5t s ARG 7 N -2.66 3.86 -0.69 2.79 1.70 -1.26 0.01 118.95 122.69 2k5t s ARG 7 Ca 0.09 1.09 -0.27 0.00 -0.47 0.00 0.00 55.73 56.17 2k5t s ARG 7 Cb -0.05 -3.89 0.02 0.00 -0.57 0.00 0.00 34.95 30.46 2k5t s ARG 7 CO 0.03 -1.19 1.38 -1.17 -1.08 0.00 0.00 175.30 173.27 2k5t s LEU 8 N 4.46 3.22 -0.01 -1.89 2.96 0.12 -4.73 118.68 122.81 2k5t s LEU 8 Ca 0.55 -0.22 0.07 0.00 -0.22 0.00 0.00 54.13 54.30 2k5t s LEU 8 Cb -0.14 -2.64 -0.10 0.00 0.50 0.00 0.00 46.19 43.81 2k5t s LEU 8 CO 0.25 -1.90 0.16 -0.62 -1.32 0.00 0.00 176.35 172.92 2k5t n GLU 9 N 9.23 0.69 -3.94 1.98 1.02 -1.26 -4.48 120.64 123.88 2k5t n GLU 9 Ca 0.07 -0.05 -0.35 0.00 -0.02 0.00 0.00 57.16 56.81 2k5t n GLU 9 Cb 0.50 -1.12 -0.14 0.00 -0.02 0.00 0.00 31.44 30.65 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 -2.37 2.75 -0.45 3.49 1.02 -1.26 -4.84 119.74 118.08 2k5t s LYS 10 Ca -0.02 -1.04 -0.08 0.00 0.02 0.00 0.00 55.97 54.85 2k5t s LYS 10 Cb 0.04 -3.05 0.11 0.00 -0.52 0.00 0.00 37.83 34.41 2k5t s LYS 10 CO 0.27 -0.45 0.30 -0.06 -0.92 0.00 0.00 175.35 174.49 2k5t s PHE 11 N 1.31 3.43 0.74 3.18 0.40 -1.26 -5.01 117.98 120.78 2k5t s PHE 11 Ca -0.01 -1.87 -0.08 0.00 -0.60 0.00 0.00 56.93 54.38 2k5t s PHE 11 Cb -0.17 -3.30 0.08 0.00 0.51 0.00 0.00 43.02 40.14 2k5t s PHE 11 CO -0.03 -0.95 1.06 -1.54 0.70 0.00 0.00 175.22 174.46 2k5t s SER 12 N 2.39 4.58 0.46 1.36 1.04 -1.26 -4.84 113.70 117.43 2k5t s SER 12 Ca 0.05 0.42 0.11 0.00 0.48 0.00 0.00 55.95 57.02 2k5t s SER 12 Cb -0.25 -0.98 1.05 0.00 0.10 0.00 0.00 66.02 65.94 2k5t s SER 12 CO -0.01 -1.76 2.09 -2.24 0.98 0.00 0.00 173.24 172.30 2k5t h ASP 13 N -0.75 0.23 0.07 7.02 2.03 -1.98 0.12 116.42 123.16 2k5t h ASP 13 Ca -0.44 -0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2k5t h ASP 13 Cb 1.31 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2k5t h ASP 13 CO 0.58 0.18 -0.03 -0.61 -1.03 0.00 0.00 179.24 178.33 2k5t h GLN 14 N 0.27 -0.09 -0.65 4.15 4.15 -2.00 -2.34 115.11 118.61 2k5t h GLN 14 Ca 0.07 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 2k5t h GLN 14 Cb 0.00 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 2k5t h GLN 14 CO -0.01 0.27 0.38 -0.44 -1.93 0.00 0.00 178.83 177.10 2k5t h ASP 15 N -0.45 0.78 -0.43 -0.69 3.32 -1.78 -0.58 116.42 116.59 2k5t h ASP 15 Ca -0.01 -0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.05 2k5t h ASP 15 Cb 0.39 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 2k5t h ASP 15 CO 0.01 0.61 0.13 -0.09 -1.72 0.00 0.00 179.24 178.18 2k5t h ARG 16 N 0.90 0.27 -0.40 3.56 2.43 -0.70 0.79 114.38 121.23 2k5t h ARG 16 Ca 0.23 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 2k5t h ARG 16 Cb -0.02 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2k5t h ARG 16 CO -0.04 0.18 0.03 0.82 -1.51 0.00 0.00 179.97 179.44 2k5t h ILE 17 N 0.28 1.25 0.21 1.20 2.04 -0.68 -0.20 117.51 121.61 2k5t h ILE 17 Ca 0.21 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2k5t h ILE 17 Cb 0.22 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2k5t h ILE 17 CO -0.23 0.32 -0.15 0.44 0.00 0.00 0.00 178.15 178.53 2k5t h ASP 18 N 0.52 -0.39 -0.53 1.72 3.32 -0.72 -0.62 116.42 119.72 2k5t h ASP 18 Ca 0.12 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 2k5t h ASP 18 Cb 0.43 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2k5t h ASP 18 CO 0.01 -0.24 0.09 -0.07 -1.72 0.00 0.00 179.24 177.31 2k5t h LEU 19 N -0.36 0.89 -0.13 1.55 3.38 -0.83 0.95 115.31 120.75 2k5t h LEU 19 Ca -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2k5t h LEU 19 Cb 0.32 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2k5t h LEU 19 CO -0.00 0.90 0.00 1.67 0.09 0.00 0.00 178.44 181.10 2k5t n GLN 20 N -4.23 0.07 -0.07 1.13 7.27 -0.09 -0.76 117.38 120.70 2k5t n GLN 20 Ca 0.04 0.20 -0.06 0.00 0.07 0.00 0.00 57.00 57.25 2k5t n GLN 20 Cb 0.27 -1.61 -0.15 0.00 2.41 0.00 0.00 30.24 31.16 2k5t n GLN 20 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2k5t n LYS 21 N -1.74 0.67 -0.03 3.69 4.81 -0.26 -3.26 118.16 122.05 2k5t n LYS 21 Ca 0.05 0.01 -0.12 0.00 -0.87 0.00 0.00 58.31 57.38 2k5t n LYS 21 Cb 0.26 -1.57 -0.07 0.00 0.02 0.00 0.00 35.03 33.68 2k5t n LYS 21 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2k5t h ILE 22 N 0.00 1.22 -3.58 3.15 2.04 -0.34 -3.32 117.51 116.68 2k5t h ILE 22 Ca -0.41 -0.68 -0.73 0.00 1.00 0.00 0.00 64.86 64.04 2k5t h ILE 22 Cb 1.99 1.48 -0.31 0.00 -0.74 0.00 0.00 36.82 39.23 2k5t h ILE 22 CO 0.03 0.19 -0.23 0.26 0.00 0.00 0.00 178.15 178.41 2k5t s TRP 23 N -5.16 3.52 -1.65 1.37 0.51 0.06 -4.96 118.94 112.63 2k5t s TRP 23 Ca -0.14 -2.33 0.04 0.00 -2.12 0.00 0.00 56.10 51.55 2k5t s TRP 23 Cb 0.05 -3.45 0.22 0.00 -0.81 0.00 0.00 33.47 29.48 2k5t s TRP 23 CO 0.70 -0.92 0.87 -2.30 -0.51 0.00 0.00 176.95 174.78 2k5t n PRO 24 N 3.92 0.09 -0.50 4.98 -0.02 -1.20 -0.62 135.00 141.65 2k5t n PRO 24 Ca 0.07 0.15 0.03 0.00 -2.02 0.00 0.00 63.50 61.73 2k5t n PRO 24 Cb 0.41 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.43 2k5t n PRO 24 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k5t n GLU 25 N -1.18 0.35 -2.77 -0.52 1.02 -1.26 -4.92 120.64 111.36 2k5t n GLU 25 Ca 0.02 -1.53 -0.42 0.00 -0.02 0.00 0.00 57.16 55.21 2k5t n GLU 25 Cb 0.03 -0.72 -0.03 0.00 -0.02 0.00 0.00 31.44 30.69 2k5t n GLU 25 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2k5t s TYR 26 N -0.77 3.45 0.08 -0.32 5.04 0.21 -5.00 117.35 120.04 2k5t s TYR 26 Ca 0.12 1.43 -0.31 0.00 -2.44 0.00 0.00 57.07 55.87 2k5t s TYR 26 Cb 0.11 -3.13 -0.09 0.00 0.35 0.00 0.00 41.96 39.21 2k5t s TYR 26 CO -0.01 -0.27 1.67 -1.12 -1.34 0.00 0.00 175.55 174.48 2k5t s SER 27 N 1.14 6.58 0.48 4.32 0.01 -1.26 -4.80 113.70 120.16 2k5t s SER 27 Ca 0.43 2.53 0.14 0.00 1.31 0.00 0.00 55.95 60.36 2k5t s SER 27 Cb -0.17 -2.57 1.14 0.00 0.21 0.00 0.00 66.02 64.63 2k5t s SER 27 CO 0.14 -0.90 2.11 1.55 0.41 0.00 0.00 173.24 176.54 2k5t h PRO 28 N 8.26 0.18 0.00 12.44 0.13 -1.94 0.01 132.00 151.08 2k5t h PRO 28 Ca -0.43 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k5t h PRO 28 Cb 1.20 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k5t h PRO 28 CO 0.93 0.12 0.00 -1.13 -0.23 0.00 0.00 178.00 177.69 2k5t n SER 29 N -4.51 0.42 -0.46 1.44 3.41 -1.26 -1.74 113.62 110.92 2k5t n SER 29 Ca 0.00 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.31 2k5t n SER 29 Cb 0.12 -0.69 0.40 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.95 1.39 -4.53 4.04 7.64 -0.01 -4.62 113.62 115.58 2k5t n SER 30 Ca 0.03 -1.66 -0.42 0.00 1.01 0.00 0.00 58.87 57.82 2k5t n SER 30 Cb 0.23 -0.09 -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 -1.57 4.05 -0.04 -3.43 1.43 -0.71 -4.93 118.68 113.48 2k5t s LEU 31 Ca 0.31 -1.98 0.00 0.00 -1.03 0.00 0.00 54.13 51.44 2k5t s LEU 31 Cb 0.17 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.89 2k5t s LEU 31 CO 0.25 -1.26 -0.01 -1.58 0.23 0.00 0.00 176.35 173.99 2k5t s GLN 32 N 3.99 0.50 -0.16 1.70 0.74 -1.26 -5.02 119.66 120.15 2k5t s GLN 32 Ca 0.45 0.04 -0.05 0.00 0.05 0.00 0.00 55.36 55.85 2k5t s GLN 32 Cb -0.00 -0.68 -0.03 0.00 1.10 0.00 0.00 33.01 33.39 2k5t s GLN 32 CO -0.04 -0.16 0.01 0.54 -0.55 0.00 0.00 175.29 175.09 2k5t s VAL 33 N 1.23 4.33 0.42 1.34 0.11 -1.26 -4.90 120.40 121.66 2k5t s VAL 33 Ca -0.07 -0.20 0.04 0.00 -2.93 0.00 0.00 61.98 58.82 2k5t s VAL 33 Cb -0.13 -2.91 -0.02 0.00 -1.53 0.00 0.00 36.38 31.79 2k5t s VAL 33 CO -0.02 0.50 0.15 -1.81 -3.33 0.00 0.00 175.10 170.59 2k5t s ASP 34 N 0.19 2.84 0.00 3.54 1.01 0.87 -4.97 116.67 120.15 2k5t s ASP 34 Ca 0.01 -1.73 0.27 0.00 0.71 0.00 0.00 52.55 51.81 2k5t s ASP 34 Cb -0.13 0.59 0.85 0.00 1.01 0.00 0.00 42.92 45.24 2k5t s ASP 34 CO 0.02 -0.98 1.65 -0.90 0.21 0.00 0.00 175.17 175.17 2k5t n ASP 35 N -1.43 0.31 -0.06 0.27 5.75 -1.26 -3.49 116.55 116.65 2k5t n ASP 35 Ca -0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.59 2k5t n ASP 35 Cb 0.64 -0.07 -0.14 0.00 -1.03 0.00 0.00 41.12 40.52 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 -1.44 1.19 -4.02 -1.12 3.02 -1.26 -4.76 115.26 106.87 2k5t n ASN 36 Ca 0.07 0.15 -0.31 0.00 -0.03 0.00 0.00 54.58 54.46 2k5t n ASN 36 Cb 0.33 -0.07 -0.15 0.00 -0.61 0.00 0.00 39.78 39.29 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 -2.55 3.66 -0.16 3.10 3.76 -1.23 -0.47 115.29 121.40 2k5t s HIS 37 Ca -0.16 -2.91 -0.04 0.00 -0.15 0.00 0.00 55.06 51.80 2k5t s HIS 37 Cb 0.07 -2.80 -0.03 0.00 1.11 0.00 0.00 32.58 30.94 2k5t s HIS 37 CO 0.77 -0.94 -0.03 1.03 -0.85 0.00 0.00 174.74 174.71 2k5t s ARG 38 N 0.94 3.65 -0.30 1.40 0.52 -0.69 -0.09 118.95 124.38 2k5t s ARG 38 Ca 0.09 -0.52 -0.10 0.00 -0.52 0.00 0.00 55.73 54.68 2k5t s ARG 38 Cb -0.19 -2.94 -0.02 0.00 0.52 0.00 0.00 34.95 32.33 2k5t s ARG 38 CO -0.08 0.20 0.16 0.42 0.02 0.00 0.00 175.30 176.02 2k5t s ILE 39 N 0.47 4.76 -0.22 1.52 1.01 -1.26 -1.04 121.20 126.45 2k5t s ILE 39 Ca -0.03 -0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 2k5t s ILE 39 Cb -0.14 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 2k5t s ILE 39 CO 0.03 0.11 0.26 -0.31 0.00 0.00 0.00 174.94 175.03 2k5t s TYR 40 N 1.65 3.35 -0.30 3.97 2.02 0.35 0.16 117.35 128.55 2k5t s TYR 40 Ca 0.05 0.41 -0.06 0.00 -0.37 0.00 0.00 57.07 57.10 2k5t s TYR 40 Cb -0.17 -2.37 0.02 0.00 -0.40 0.00 0.00 41.96 39.04 2k5t s TYR 40 CO 0.07 0.06 0.07 0.00 -1.57 0.00 0.00 175.55 174.18 2k5t s ALA 41 N 1.09 3.02 -0.57 3.71 0.00 0.10 -1.65 121.76 127.46 2k5t s ALA 41 Ca 0.13 -1.54 -0.20 0.00 0.00 0.00 0.00 51.96 50.34 2k5t s ALA 41 Cb -0.14 -2.14 0.08 0.00 0.00 0.00 0.00 23.12 20.92 2k5t s ALA 41 CO 0.05 -1.04 0.74 0.00 0.00 0.00 0.00 175.76 175.52 2k5t s ALA 42 N 1.45 3.33 -0.19 0.00 0.00 0.23 -0.60 121.76 125.99 2k5t s ALA 42 Ca 0.01 -1.92 -0.08 0.00 0.00 0.00 0.00 51.96 49.98 2k5t s ALA 42 Cb -0.18 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2k5t s ALA 42 CO 0.02 -2.32 0.07 -0.98 0.00 0.00 0.00 175.76 172.55 2k5t s ARG 43 N 3.02 3.99 -0.22 0.00 1.70 0.02 0.26 118.95 127.72 2k5t s ARG 43 Ca 0.16 -0.33 -0.07 0.00 -0.47 0.00 0.00 55.73 55.02 2k5t s ARG 43 Cb -0.20 -3.24 -0.03 0.00 -0.57 0.00 0.00 34.95 30.90 2k5t s ARG 43 CO 0.10 0.26 0.06 0.12 -1.08 0.00 0.00 175.30 174.75 2k5t s PHE 44 N 0.42 3.14 0.00 5.89 5.36 0.18 -0.32 117.98 132.65 2k5t s PHE 44 Ca 0.04 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.79 2k5t s PHE 44 Cb -0.12 -2.15 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 2k5t s PHE 44 CO 0.00 -0.14 0.00 -1.71 -1.46 0.00 0.00 175.22 171.91 2k5t n ASN 45 N 4.29 0.00 0.00 6.13 2.85 -1.24 -2.94 115.26 124.35 2k5t n ASN 45 Ca -0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 2k5t n ASN 45 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 2k5t n ASN 45 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2k5t n GLU 46 N 0.00 0.00 -3.90 1.20 4.07 -1.26 -5.06 120.64 115.69 2k5t n GLU 46 Ca 0.00 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.89 2k5t n GLU 46 Cb 0.00 -0.05 -0.03 0.00 -0.06 0.00 0.00 31.44 31.29 2k5t n GLU 46 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2k5t s ARG 47 N -1.60 2.90 0.25 5.31 3.52 -1.15 -4.92 118.95 123.25 2k5t s ARG 47 Ca 0.00 -1.13 -0.31 0.00 -0.13 0.00 0.00 55.73 54.16 2k5t s ARG 47 Cb 0.00 -2.58 -0.11 0.00 -1.56 0.00 0.00 34.95 30.70 2k5t s ARG 47 CO 0.00 0.23 1.64 -0.51 -0.81 0.00 0.00 175.30 175.85 2k5t s LEU 48 N -3.96 4.36 -0.08 -0.88 1.43 -1.26 -0.65 118.68 117.64 2k5t s LEU 48 Ca 0.38 2.89 0.07 0.00 -1.03 0.00 0.00 54.13 56.44 2k5t s LEU 48 Cb -0.07 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 2k5t s LEU 48 CO 0.27 -0.93 0.02 -0.11 0.23 0.00 0.00 176.35 175.83 2k5t n LEU 49 N 3.02 0.11 -3.75 1.79 7.94 0.14 -4.78 117.00 121.47 2k5t n LEU 49 Ca 0.12 -0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.88 2k5t n LEU 49 Cb 0.37 0.18 -0.09 0.00 0.53 0.00 0.00 43.42 44.41 2k5t n LEU 49 CO 0.64 0.22 0.04 0.00 -1.11 0.00 0.00 177.39 177.18 2k5t s ALA 50 N -2.20 -0.85 -0.05 1.96 0.00 -0.61 -0.34 121.76 119.67 2k5t s ALA 50 Ca -0.05 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2k5t s ALA 50 Cb 0.03 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.08 2k5t s ALA 50 CO 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 175.76 175.83 2k5t s ALA 51 N -0.95 0.60 -0.04 0.00 0.00 -0.37 -0.60 121.76 120.39 2k5t s ALA 51 Ca -0.10 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.86 2k5t s ALA 51 Cb -0.04 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2k5t s ALA 51 CO 0.04 -0.13 -0.10 0.54 0.00 0.00 0.00 175.76 176.10 2k5t s VAL 52 N 1.19 0.87 -0.18 0.00 0.11 -0.66 -2.01 120.40 119.73 2k5t s VAL 52 Ca -0.07 -0.38 -0.04 0.00 -2.93 0.00 0.00 61.98 58.56 2k5t s VAL 52 Cb -0.14 -0.78 -0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2k5t s VAL 52 CO -0.02 0.28 -0.04 -0.13 -3.33 0.00 0.00 175.10 171.86 2k5t s ARG 53 N 0.35 3.56 -0.06 1.54 0.52 -1.03 -0.49 118.95 123.34 2k5t s ARG 53 Ca -0.06 -0.56 0.06 0.00 -0.52 0.00 0.00 55.73 54.64 2k5t s ARG 53 Cb -0.11 -2.94 -0.01 0.00 0.52 0.00 0.00 34.95 32.42 2k5t s ARG 53 CO 0.01 0.10 -0.24 0.54 0.02 0.00 0.00 175.30 175.73 2k5t s VAL 54 N 0.74 1.99 -0.43 3.52 0.11 -0.20 -1.21 120.40 124.91 2k5t s VAL 54 Ca -0.02 -1.02 -0.15 0.00 -2.93 0.00 0.00 61.98 57.86 2k5t s VAL 54 Cb -0.15 -1.69 0.05 0.00 -1.53 0.00 0.00 36.38 33.06 2k5t s VAL 54 CO 0.02 0.55 0.33 -0.89 -3.33 0.00 0.00 175.10 171.78 2k5t s THR 55 N -0.08 5.14 -0.16 5.04 2.01 0.16 -1.70 115.64 126.05 2k5t s THR 55 Ca -0.06 -0.89 -0.14 0.00 0.31 0.00 0.00 61.69 60.92 2k5t s THR 55 Cb -0.14 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 2k5t s THR 55 CO 0.04 -0.43 0.29 -0.76 -0.69 0.00 0.00 174.62 173.07 2k5t s LEU 56 N 1.64 4.25 -0.32 4.42 1.43 0.37 -0.31 118.68 130.16 2k5t s LEU 56 Ca 0.04 0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 2k5t s LEU 56 Cb -0.21 -2.36 0.11 0.00 0.03 0.00 0.00 46.19 43.75 2k5t s LEU 56 CO 0.08 0.11 0.14 -0.44 0.23 0.00 0.00 176.35 176.47 2k5t s SER 57 N 0.43 3.66 1.52 2.29 0.01 0.57 -4.68 113.70 117.50 2k5t s SER 57 Ca 0.16 -1.70 0.00 0.00 1.31 0.00 0.00 55.95 55.72 2k5t s SER 57 Cb -0.13 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.47 2k5t s SER 57 CO 0.04 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2k5t n GLY 58 N 4.74 1.97 0.98 3.44 0.00 -1.26 -1.88 105.19 113.17 2k5t n GLY 58 Ca -0.00 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 1.29 -4.32 2.61 -1.04 -1.26 -4.96 114.28 106.61 2k5t n THR 59 Ca 0.00 -1.14 -0.21 0.00 -2.04 0.00 0.00 64.05 60.66 2k5t n THR 59 Cb 0.00 0.35 -0.11 0.00 -1.82 0.00 0.00 70.33 68.75 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 -1.36 1.23 -0.03 -2.82 2.02 -0.79 -1.34 118.70 115.60 2k5t s GLU 60 Ca 0.36 -1.36 -0.01 0.00 0.02 0.00 0.00 54.97 53.97 2k5t s GLU 60 Cb 0.21 -1.28 0.03 0.00 0.10 0.00 0.00 34.13 33.19 2k5t s GLU 60 CO 0.20 0.26 0.07 0.20 0.02 0.00 0.00 175.26 176.01 2k5t s GLY 61 N -2.56 0.03 -0.13 -1.39 0.00 -0.34 -0.32 107.32 102.61 2k5t s GLY 61 Ca 0.14 0.38 0.03 0.00 0.00 0.00 0.00 44.72 45.27 2k5t s GLY 61 CO 0.06 0.66 -0.22 0.00 0.00 0.00 0.00 173.10 173.60 2k5t s ALA 62 N 0.87 2.24 -0.31 3.20 0.00 0.58 -0.21 121.76 128.13 2k5t s ALA 62 Ca -0.07 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 50.66 2k5t s ALA 62 Cb -0.10 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 2k5t s ALA 62 CO -0.03 0.06 0.50 -0.51 0.00 0.00 0.00 175.76 175.78 2k5t s LEU 63 N 0.68 4.22 -0.25 0.00 1.02 0.91 0.39 118.68 125.65 2k5t s LEU 63 Ca -0.10 0.18 -0.06 0.00 0.02 0.00 0.00 54.13 54.17 2k5t s LEU 63 Cb -0.16 -2.59 -0.01 0.00 0.02 0.00 0.00 46.19 43.45 2k5t s LEU 63 CO 0.01 -0.39 0.02 -1.81 0.02 0.00 0.00 176.35 174.21 2k5t s ASP 64 N 1.68 4.77 -0.01 2.29 1.01 -0.35 -1.68 116.67 124.38 2k5t s ASP 64 Ca 0.19 -0.43 -0.01 0.00 0.71 0.00 0.00 52.55 53.01 2k5t s ASP 64 Cb -0.15 -1.83 0.00 0.00 1.01 0.00 0.00 42.92 41.95 2k5t s ASP 64 CO 0.12 -0.07 0.03 -1.20 0.21 0.00 0.00 175.17 174.25 2k5t n SER 65 N 4.85 -3.74 -3.96 0.27 7.64 -1.26 -4.06 113.62 113.35 2k5t n SER 65 Ca -0.17 0.61 -0.22 0.00 1.01 0.00 0.00 58.87 60.11 2k5t n SER 65 Cb 0.50 -2.49 -0.16 0.00 -1.01 0.00 0.00 64.21 61.04 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 -0.22 1.52 -0.07 -3.43 2.96 -1.26 -2.47 118.68 115.71 2k5t s LEU 66 Ca -0.03 -0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 53.65 2k5t s LEU 66 Cb 0.00 -0.60 0.04 0.00 0.50 0.00 0.00 46.19 46.13 2k5t s LEU 66 CO 0.08 -0.00 0.16 -0.60 -1.32 0.00 0.00 176.35 174.67 2k5t s ARG 67 N 0.70 0.11 0.19 1.98 3.52 -0.85 -5.05 118.95 119.56 2k5t s ARG 67 Ca -0.12 0.39 0.06 0.00 -0.13 0.00 0.00 55.73 55.94 2k5t s ARG 67 Cb -0.14 -0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.05 2k5t s ARG 67 CO 0.02 -0.16 0.12 0.08 -0.81 0.00 0.00 175.30 174.54 2k5t s VAL 68 N 1.14 4.27 0.06 7.11 1.01 -1.26 -1.24 120.40 131.50 2k5t s VAL 68 Ca -0.09 -1.27 -0.35 0.00 0.00 0.00 0.00 61.98 60.27 2k5t s VAL 68 Cb -0.11 -3.21 -0.14 0.00 0.00 0.00 0.00 36.38 32.92 2k5t s VAL 68 CO -0.06 -0.18 1.63 -1.14 0.00 0.00 0.00 175.10 175.34 2k5t n ARG 69 N -0.54 1.96 0.05 2.72 0.63 0.54 -4.83 116.66 117.19 2k5t n ARG 69 Ca -0.08 0.71 0.12 0.00 -0.92 0.00 0.00 57.85 57.68 2k5t n ARG 69 Cb 0.56 -2.48 0.58 0.00 0.45 0.00 0.00 32.46 31.58 2k5t n ARG 69 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2k5t h GLU 70 N 6.62 0.19 -0.67 -0.14 4.81 -1.97 0.98 114.58 124.40 2k5t h GLU 70 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2k5t h GLU 70 Cb 1.27 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2k5t h GLU 70 CO 0.89 0.13 0.00 0.28 -0.73 0.00 0.00 179.01 179.58 2k5t n VAL 71 N -4.47 0.32 -0.68 0.32 0.31 -1.26 -3.19 118.33 109.68 2k5t n VAL 71 Ca 0.05 -0.18 0.07 0.00 -0.01 0.00 0.00 64.34 64.27 2k5t n VAL 71 Cb 0.32 -0.29 0.21 0.00 -0.91 0.00 0.00 33.84 33.17 2k5t n VAL 71 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2k5t n THR 72 N -0.00 1.77 -2.52 2.52 -1.04 0.34 -5.01 114.28 110.34 2k5t n THR 72 Ca 0.04 -1.56 -0.41 0.00 -2.04 0.00 0.00 64.05 60.08 2k5t n THR 72 Cb 0.29 0.04 -0.04 0.00 -1.82 0.00 0.00 70.33 68.79 2k5t n THR 72 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2k5t s ARG 73 N -2.13 4.62 -0.79 -2.82 0.52 -1.19 -3.42 118.95 113.74 2k5t s ARG 73 Ca 0.33 1.73 0.00 0.00 -0.52 0.00 0.00 55.73 57.27 2k5t s ARG 73 Cb 0.25 -3.26 0.00 0.00 0.52 0.00 0.00 34.95 32.46 2k5t s ARG 73 CO 0.11 0.13 0.00 -2.13 0.02 0.00 0.00 175.30 173.42 2k5t n ARG 74 N 2.05 -0.68 -0.35 3.54 0.63 -1.26 -4.92 116.66 115.67 2k5t n ARG 74 Ca 0.02 0.51 0.07 0.00 -0.92 0.00 0.00 57.85 57.53 2k5t n ARG 74 Cb 0.46 -4.47 0.12 0.00 0.45 0.00 0.00 32.46 29.02 2k5t n ARG 74 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2k5t n ARG 75 N -2.04 1.02 0.00 -0.14 1.74 -1.22 -5.00 116.66 111.02 2k5t n ARG 75 Ca -0.10 -2.40 0.00 0.00 -0.77 0.00 0.00 57.85 54.58 2k5t n ARG 75 Cb 0.51 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 2k5t n ARG 75 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k5t n GLY 76 N -0.98 2.22 0.24 -0.13 0.00 -1.26 -4.80 105.19 100.48 2k5t n GLY 76 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 0.59 -0.48 1.61 2.07 -1.95 0.11 116.25 118.21 2k5t h VAL 77 Ca 0.00 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2k5t h VAL 77 Cb 0.00 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 2k5t h VAL 77 CO 0.00 0.05 0.29 1.23 0.02 0.00 0.00 177.57 179.16 2k5t h GLY 78 N 0.26 0.68 1.02 2.17 0.00 -1.87 0.28 103.07 105.62 2k5t h GLY 78 Ca 0.35 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 2k5t h GLY 78 CO -0.44 0.19 0.06 1.46 0.00 0.00 0.00 176.54 177.80 2k5t h GLN 79 N 0.58 0.93 -0.40 4.80 4.20 -1.63 -2.78 115.11 120.81 2k5t h GLN 79 Ca 0.19 -0.27 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 2k5t h GLN 79 Cb 0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2k5t h GLN 79 CO -0.09 0.91 -0.17 -0.92 -0.67 0.00 0.00 178.83 177.89 2k5t h TYR 80 N 0.81 0.94 -0.52 2.96 3.20 -0.70 -2.75 116.97 120.90 2k5t h TYR 80 Ca 0.16 -0.23 0.10 0.00 3.14 0.00 0.00 58.73 61.91 2k5t h TYR 80 Cb 0.46 -0.22 -0.10 0.00 1.54 0.00 0.00 36.73 38.40 2k5t h TYR 80 CO 0.03 0.98 -0.21 1.25 -1.64 0.00 0.00 178.16 178.57 2k5t h LEU 81 N 0.62 -0.74 0.25 2.82 5.85 -0.28 0.40 115.31 124.23 2k5t h LEU 81 Ca 0.09 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 2k5t h LEU 81 Cb 0.73 0.42 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2k5t h LEU 81 CO 0.05 -0.24 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.73 2k5t h LEU 82 N -0.09 -0.28 -0.77 2.25 -0.00 -1.41 -2.50 115.31 112.50 2k5t h LEU 82 Ca 0.24 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 2k5t h LEU 82 Cb 0.47 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2k5t h LEU 82 CO -0.58 -0.20 0.00 -0.33 -0.00 0.00 0.00 178.44 177.33 2k5t h GLU 83 N -0.34 0.00 -0.28 1.13 5.08 -1.11 -1.18 114.58 117.88 2k5t h GLU 83 Ca -0.03 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 2k5t h GLU 83 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2k5t h GLU 83 CO 0.06 0.00 -0.27 1.49 -1.00 0.00 0.00 179.01 179.28 2k5t h GLU 84 N 0.00 0.67 -0.52 2.33 4.57 0.08 -1.13 114.58 120.58 2k5t h GLU 84 Ca 0.00 -0.36 -0.09 0.00 -1.18 0.00 0.00 59.36 57.73 2k5t h GLU 84 Cb 0.50 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 2k5t h GLU 84 CO 0.00 0.96 -0.03 0.28 -1.18 0.00 0.00 179.01 179.04 2k5t h VAL 85 N 0.41 1.27 0.00 0.32 2.07 -0.89 0.15 116.25 119.58 2k5t h VAL 85 Ca 0.04 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 2k5t h VAL 85 Cb 0.84 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2k5t h VAL 85 CO 0.07 0.40 -0.01 -0.07 0.02 0.00 0.00 177.57 177.98 2k5t h LEU 86 N 0.80 0.00 0.19 2.57 4.07 -1.23 -0.35 115.31 121.36 2k5t h LEU 86 Ca 0.14 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.78 2k5t h LEU 86 Cb 0.57 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.33 2k5t h LEU 86 CO 0.03 0.01 -1.54 -0.09 -1.08 0.00 0.00 178.44 175.77 2k5t h ARG 87 N 0.00 0.40 -0.66 1.13 2.43 -0.69 -3.28 114.38 113.72 2k5t h ARG 87 Ca -0.00 -0.69 -0.06 0.00 -0.81 0.00 0.00 59.98 58.42 2k5t h ARG 87 Cb 0.38 0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 2k5t h ARG 87 CO 0.00 1.33 0.16 -0.97 -1.51 0.00 0.00 179.97 178.98 2k5t h ASN 88 N 0.01 0.98 -2.99 -3.80 -1.24 -0.42 -3.31 115.58 104.79 2k5t h ASN 88 Ca -0.30 -0.20 -0.63 0.00 0.71 0.00 0.00 56.30 55.89 2k5t h ASN 88 Cb 2.02 -0.26 -0.41 0.00 0.73 0.00 0.00 38.32 40.40 2k5t h ASN 88 CO 0.18 0.94 -0.52 0.59 -1.29 0.00 0.00 177.43 177.33 2k5t n ASN 89 N -4.24 3.25 -0.17 1.15 4.13 -0.19 -4.90 115.26 114.29 2k5t n ASN 89 Ca 0.05 -3.24 0.12 0.00 1.68 0.00 0.00 54.58 53.19 2k5t n ASN 89 Cb 0.25 -0.78 0.64 0.00 -1.54 0.00 0.00 39.78 38.36 2k5t n ASN 89 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2k5t n PRO 90 N 1.84 1.23 -0.28 3.52 -0.04 -1.24 -3.43 135.00 136.60 2k5t n PRO 90 Ca 0.21 -0.35 0.08 0.00 -0.04 0.00 0.00 63.50 63.41 2k5t n PRO 90 Cb 0.36 -1.41 0.23 0.00 -0.04 0.00 0.00 33.50 32.64 2k5t n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k5t n GLY 91 N 0.98 1.46 3.50 0.55 0.00 -1.26 -4.83 105.19 105.59 2k5t n GLY 91 Ca 0.18 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.39 4.11 -0.16 1.61 1.01 -1.22 -4.85 120.40 119.51 2k5t s VAL 92 Ca 0.34 -0.27 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 2k5t s VAL 92 Cb 0.18 -2.84 -0.15 0.00 0.00 0.00 0.00 36.38 33.57 2k5t s VAL 92 CO 0.22 0.45 0.27 0.28 0.00 0.00 0.00 175.10 176.32 2k5t h SER 93 N 7.10 0.00 -3.68 3.32 0.02 -1.51 -3.43 113.55 115.37 2k5t h SER 93 Ca -0.34 -0.48 -0.67 0.00 -0.84 0.00 0.00 61.79 59.46 2k5t h SER 93 Cb 1.18 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.50 2k5t h SER 93 CO 0.63 1.06 -0.55 0.00 -1.14 0.00 0.00 176.83 176.83 2k5t s TRP 95 N 1.63 3.21 -0.12 0.00 0.52 -0.90 -1.20 118.94 122.08 2k5t s TRP 95 Ca 0.05 -1.03 -0.04 0.00 0.02 0.00 0.00 56.10 55.10 2k5t s TRP 95 Cb -0.17 -2.33 -0.04 0.00 -1.15 0.00 0.00 33.47 29.79 2k5t s TRP 95 CO 0.07 -0.62 0.03 -0.46 0.02 0.00 0.00 176.95 175.99 2k5t s TRP 96 N 1.51 3.22 -0.25 -1.98 -0.11 0.71 -0.42 118.94 121.62 2k5t s TRP 96 Ca 0.02 0.15 -0.07 0.00 1.22 0.00 0.00 56.10 57.42 2k5t s TRP 96 Cb -0.18 -1.90 -0.02 0.00 -1.50 0.00 0.00 33.47 29.87 2k5t s TRP 96 CO 0.04 0.37 0.05 -1.64 -4.62 0.00 0.00 176.95 171.16 2k5t s MET 97 N -0.47 3.58 0.16 5.86 -1.94 0.49 -0.06 119.30 126.92 2k5t s MET 97 Ca 0.09 -0.52 -0.15 0.00 -1.71 0.00 0.00 55.69 53.40 2k5t s MET 97 Cb -0.12 -3.27 -0.07 0.00 2.01 0.00 0.00 34.83 33.38 2k5t s MET 97 CO 0.02 -0.20 0.57 0.00 -0.01 0.00 0.00 175.02 175.40 2k5t s ALA 98 N 1.59 3.55 -0.00 3.03 0.00 -0.68 -2.50 121.76 126.75 2k5t s ALA 98 Ca 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 2k5t s ALA 98 Cb -0.15 -2.56 -0.00 0.00 0.00 0.00 0.00 23.12 20.41 2k5t s ALA 98 CO 0.02 0.44 -0.00 0.22 0.00 0.00 0.00 175.76 176.44 2k5t h ASP 99 N 3.52 0.00 -1.25 0.00 1.82 -1.88 -3.43 116.42 115.20 2k5t h ASP 99 Ca -0.48 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 55.83 2k5t h ASP 99 Cb 1.19 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 41.11 2k5t h ASP 99 CO 0.66 0.02 -0.33 0.00 -1.61 0.00 0.00 179.24 177.97 2k5t n ALA 100 N -2.04 -0.32 0.00 -0.78 0.00 -1.26 -3.77 120.51 112.35 2k5t n ALA 100 Ca -0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2k5t n ALA 100 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 -1.01 1.00 3.56 0.00 0.00 -1.26 -5.08 105.19 102.40 2k5t n GLY 101 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.95 4.72 0.06 1.61 1.01 -1.25 -4.91 120.40 119.69 2k5t s VAL 102 Ca 0.00 0.64 0.03 0.00 0.00 0.00 0.00 61.98 62.66 2k5t s VAL 102 Cb 0.00 -4.24 -0.24 0.00 0.00 0.00 0.00 36.38 31.89 2k5t s VAL 102 CO 0.00 -0.55 1.06 -0.33 0.00 0.00 0.00 175.10 175.28 2k5t h GLU 103 N 8.70 0.11 -2.38 2.72 4.39 -1.98 -3.32 114.58 122.82 2k5t h GLU 103 Ca -0.25 -0.19 -0.57 0.00 0.34 0.00 0.00 59.36 58.69 2k5t h GLU 103 Cb 1.09 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 29.70 2k5t h GLU 103 CO 0.92 0.99 1.54 -0.25 -1.16 0.00 0.00 179.01 181.06 2k5t n ASP 104 N -3.36 7.23 0.15 1.42 8.00 -1.26 -4.63 116.55 124.10 2k5t n ASP 104 Ca -0.08 -2.99 0.02 0.00 0.71 0.00 0.00 54.79 52.45 2k5t n ASP 104 Cb 1.00 -1.35 0.36 0.00 -0.02 0.00 0.00 41.12 41.10 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 3.89 0.12 0.55 -1.24 2.43 -1.99 -2.01 114.38 116.13 2k5t h ARG 105 Ca 0.55 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.66 2k5t h ARG 105 Cb 0.61 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2k5t h ARG 105 CO 1.14 0.39 -0.32 0.78 -1.51 0.00 0.00 179.97 180.45 2k5t h GLY 106 N 0.94 -0.87 1.00 2.80 0.00 -1.93 0.17 103.07 105.17 2k5t h GLY 106 Ca 0.02 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 2k5t h GLY 106 CO 0.04 -0.32 0.39 -2.08 0.00 0.00 0.00 176.54 174.57 2k5t h VAL 107 N -0.82 1.21 -0.60 4.60 2.07 -1.93 -2.17 116.25 118.62 2k5t h VAL 107 Ca -0.07 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 2k5t h VAL 107 Cb 0.66 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2k5t h VAL 107 CO 0.08 0.23 0.12 0.24 0.02 0.00 0.00 177.57 178.25 2k5t h MET 108 N 0.95 0.95 -0.47 1.57 2.07 -1.20 -0.41 114.93 118.39 2k5t h MET 108 Ca 0.25 -0.22 -0.11 0.00 -2.07 0.00 0.00 59.70 57.55 2k5t h MET 108 Cb 0.03 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 29.62 2k5t h MET 108 CO -0.04 0.87 -0.12 1.15 1.07 0.00 0.00 176.91 179.83 2k5t h THR 109 N 0.90 1.27 -0.86 2.22 2.02 -0.43 0.40 112.91 118.43 2k5t h THR 109 Ca 0.19 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 2k5t h THR 109 Cb 0.37 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 2k5t h THR 109 CO 0.01 0.43 0.50 0.00 0.37 0.00 0.00 175.52 176.83 2k5t h ALA 110 N 0.87 1.26 -0.11 6.16 0.00 -1.03 0.10 119.26 126.52 2k5t h ALA 110 Ca 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k5t h ALA 110 Cb 0.68 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k5t h ALA 110 CO 0.05 0.62 0.06 0.35 0.00 0.00 0.00 179.25 180.33 2k5t h PHE 111 N 1.19 0.16 -0.58 0.00 3.57 -0.73 -2.14 116.94 118.40 2k5t h PHE 111 Ca 0.31 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 2k5t h PHE 111 Cb -0.03 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2k5t h PHE 111 CO 0.01 0.20 0.28 0.52 -2.23 0.00 0.00 178.31 177.08 2k5t h MET 112 N 0.08 0.84 -0.82 1.11 2.86 -0.37 -1.53 114.93 117.10 2k5t h MET 112 Ca 0.04 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 2k5t h MET 112 Cb 0.10 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 2k5t h MET 112 CO -0.01 0.69 0.41 1.96 1.06 0.00 0.00 176.91 181.02 2k5t h GLN 113 N 0.79 1.17 0.00 1.72 4.20 -0.75 0.20 115.11 122.44 2k5t h GLN 113 Ca 0.20 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2k5t h GLN 113 Cb 0.12 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 2k5t h GLN 113 CO -0.02 0.88 -0.13 0.00 -0.67 0.00 0.00 178.83 178.89 2k5t h ALA 114 N 1.29 0.99 -0.01 3.87 0.00 -1.05 -2.41 119.26 121.94 2k5t h ALA 114 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2k5t h ALA 114 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k5t h ALA 114 CO -0.04 0.16 -0.15 -0.11 0.00 0.00 0.00 179.25 179.12 2k5t n LEU 115 N -3.24 1.36 -0.10 0.00 0.00 -0.58 -4.94 117.00 109.51 2k5t n LEU 115 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 56.01 55.60 2k5t n LEU 115 Cb 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 43.42 43.77 2k5t n LEU 115 CO 0.32 0.24 0.00 0.61 0.00 0.00 0.00 177.39 178.55 2k5t n GLY 116 N 1.28 0.82 3.87 -3.96 0.00 -0.50 -5.05 105.19 101.64 2k5t n GLY 116 Ca 0.15 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.20 3.62 0.13 1.61 0.08 0.59 -4.82 117.98 116.99 2k5t s PHE 117 Ca 0.00 0.62 -0.15 0.00 0.12 0.00 0.00 56.93 57.53 2k5t s PHE 117 Cb 0.00 -2.01 -0.07 0.00 -0.57 0.00 0.00 43.02 40.37 2k5t s PHE 117 CO 0.00 0.71 0.54 0.99 -0.10 0.00 0.00 175.22 177.36 2k5t s THR 118 N -1.02 4.86 -0.33 0.64 2.01 0.12 -4.22 115.64 117.70 2k5t s THR 118 Ca 0.17 0.86 -0.15 0.00 0.31 0.00 0.00 61.69 62.88 2k5t s THR 118 Cb -0.13 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 2k5t s THR 118 CO 0.06 0.29 0.35 0.42 -0.69 0.00 0.00 174.62 175.05 2k5t s THR 119 N -1.41 5.18 0.11 -0.82 -4.23 -1.26 -0.29 115.64 112.91 2k5t s THR 119 Ca 0.36 0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.97 2k5t s THR 119 Cb -0.16 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 2k5t s THR 119 CO 0.19 -0.05 -0.03 -1.58 -0.54 0.00 0.00 174.62 172.61 2k5t s GLN 120 N 1.99 0.85 -0.57 3.99 0.74 -0.97 -4.99 119.66 120.70 2k5t s GLN 120 Ca 0.11 -1.36 -0.36 0.00 0.05 0.00 0.00 55.36 53.80 2k5t s GLN 120 Cb -0.16 -0.07 -0.16 0.00 1.10 0.00 0.00 33.01 33.71 2k5t s GLN 120 CO 0.11 -0.09 2.32 1.04 -0.55 0.00 0.00 175.29 178.13 2k5t n GLN 121 N -0.05 0.45 0.00 1.67 6.02 -1.26 -1.17 117.38 123.03 2k5t n GLN 121 Ca -0.11 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2k5t n GLN 121 Cb 0.62 -2.00 0.00 0.00 1.02 0.00 0.00 30.24 29.88 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 6.80 1.96 0.00 1.08 0.00 -1.26 -5.00 105.19 108.77 2k5t n GLY 122 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.47 3.18 -0.02 0.00 -0.32 -4.62 105.19 102.93 2k5t n GLY 123 Ca 0.00 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.68 1.63 -0.04 1.61 0.51 -1.04 -2.30 118.94 118.64 2k5t s TRP 124 Ca 0.00 -0.31 0.03 0.00 -2.12 0.00 0.00 56.10 53.70 2k5t s TRP 124 Cb 0.00 -1.05 0.00 0.00 -0.81 0.00 0.00 33.47 31.61 2k5t s TRP 124 CO 0.00 -0.03 -0.14 -2.00 -0.51 0.00 0.00 176.95 174.28 2k5t s GLU 125 N -0.43 1.51 -0.36 4.98 -6.30 0.60 -0.38 118.70 118.33 2k5t s GLU 125 Ca 0.07 -0.47 -0.00 0.00 -2.50 0.00 0.00 54.97 52.06 2k5t s GLU 125 Cb -0.07 -1.32 0.13 0.00 0.00 0.00 0.00 34.13 32.87 2k5t s GLU 125 CO -0.01 0.16 0.20 0.21 0.02 0.00 0.00 175.26 175.84 2k5t s LYS 126 N 0.22 0.66 0.03 4.30 2.20 0.43 0.14 119.74 127.72 2k5t s LYS 126 Ca -0.06 -1.33 -0.30 0.00 -0.36 0.00 0.00 55.97 53.92 2k5t s LYS 126 Cb -0.11 -1.55 -0.04 0.00 -1.51 0.00 0.00 37.83 34.62 2k5t s LYS 126 CO 0.02 -1.16 0.97 0.00 -0.36 0.00 0.00 175.35 174.82