#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 2.49 -0.73 0.03 1.02 -1.26 -5.06 119.74 116.22 2k5t s LYS 2 Ca 0.00 -1.45 -0.26 0.00 0.02 0.00 0.00 55.97 54.28 2k5t s LYS 2 Cb 0.00 -2.27 0.04 0.00 -0.52 0.00 0.00 37.83 35.08 2k5t s LYS 2 CO 0.00 0.13 1.21 -1.17 -0.92 0.00 0.00 175.35 174.60 2k5t s LEU 3 N -3.88 3.46 -0.80 3.17 2.96 -1.26 -4.45 118.68 117.88 2k5t s LEU 3 Ca 0.38 -0.61 -0.24 0.00 -0.22 0.00 0.00 54.13 53.44 2k5t s LEU 3 Cb -0.04 -2.53 0.06 0.00 0.50 0.00 0.00 46.19 44.18 2k5t s LEU 3 CO 0.24 -1.74 1.22 -0.89 -1.32 0.00 0.00 176.35 173.86 2k5t s THR 4 N 5.32 4.03 -0.23 3.68 2.01 -0.79 -4.87 115.64 124.79 2k5t s THR 4 Ca 0.32 -0.26 -0.08 0.00 0.31 0.00 0.00 61.69 61.99 2k5t s THR 4 Cb -0.10 -4.88 -0.04 0.00 0.01 0.00 0.00 72.50 67.50 2k5t s THR 4 CO 0.13 -1.74 0.08 -0.51 -0.69 0.00 0.00 174.62 171.89 2k5t s ILE 5 N 4.81 4.61 0.40 1.82 2.07 -1.26 -1.11 121.20 132.54 2k5t s ILE 5 Ca 0.34 -0.08 0.04 0.00 -1.41 0.00 0.00 60.65 59.54 2k5t s ILE 5 Cb -0.08 -3.13 -0.03 0.00 0.13 0.00 0.00 42.46 39.35 2k5t s ILE 5 CO 0.06 0.37 0.14 0.27 -1.91 0.00 0.00 174.94 173.88 2k5t s ILE 6 N 1.14 0.53 0.10 2.00 -0.00 -0.76 -4.93 121.20 119.29 2k5t s ILE 6 Ca 0.05 -2.00 -0.08 0.00 -0.00 0.00 0.00 60.65 58.62 2k5t s ILE 6 Cb -0.14 -2.37 -0.06 0.00 -0.00 0.00 0.00 42.46 39.89 2k5t s ILE 6 CO 0.04 0.00 0.39 0.00 -0.00 0.00 0.00 174.94 175.36 2k5t s ARG 7 N -3.69 3.69 -0.72 0.37 1.70 -1.26 -0.09 118.95 118.95 2k5t s ARG 7 Ca 0.26 0.06 -0.26 0.00 -0.47 0.00 0.00 55.73 55.32 2k5t s ARG 7 Cb 0.03 -2.94 0.01 0.00 -0.57 0.00 0.00 34.95 31.48 2k5t s ARG 7 CO 0.16 0.52 1.53 -0.51 -1.08 0.00 0.00 175.30 175.92 2k5t s LEU 8 N -2.20 3.23 -0.06 -1.89 1.43 -0.10 -4.67 118.68 114.41 2k5t s LEU 8 Ca 0.36 -0.25 0.13 0.00 -1.03 0.00 0.00 54.13 53.34 2k5t s LEU 8 Cb -0.13 -2.55 -0.20 0.00 0.03 0.00 0.00 46.19 43.34 2k5t s LEU 8 CO 0.20 -2.05 0.21 -0.62 0.23 0.00 0.00 176.35 174.32 2k5t n GLU 9 N 9.26 0.98 -4.43 1.70 1.02 -1.26 -4.83 120.64 123.08 2k5t n GLU 9 Ca 0.13 -0.08 -0.29 0.00 -0.02 0.00 0.00 57.16 56.90 2k5t n GLU 9 Cb 0.50 -1.34 -0.17 0.00 -0.02 0.00 0.00 31.44 30.41 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 -2.73 2.25 -0.49 3.49 1.02 -1.26 -5.09 119.74 116.94 2k5t s LYS 10 Ca -0.06 -0.57 0.04 0.00 0.02 0.00 0.00 55.97 55.40 2k5t s LYS 10 Cb 0.07 -1.93 0.12 0.00 -0.52 0.00 0.00 37.83 35.58 2k5t s LYS 10 CO 0.58 -0.07 0.22 -0.06 -0.92 0.00 0.00 175.35 175.09 2k5t s PHE 11 N 1.02 3.29 0.82 3.18 0.08 -1.26 -5.01 117.98 120.09 2k5t s PHE 11 Ca -0.06 -3.14 -0.10 0.00 0.12 0.00 0.00 56.93 53.75 2k5t s PHE 11 Cb -0.15 -2.84 0.12 0.00 -0.57 0.00 0.00 43.02 39.58 2k5t s PHE 11 CO -0.02 -0.78 1.15 -1.12 -0.10 0.00 0.00 175.22 174.35 2k5t s SER 12 N -0.07 4.11 0.05 1.36 0.01 -1.26 -4.88 113.70 113.03 2k5t s SER 12 Ca 0.16 0.35 -0.26 0.00 1.31 0.00 0.00 55.95 57.51 2k5t s SER 12 Cb -0.25 -0.72 -0.17 0.00 0.21 0.00 0.00 66.02 65.09 2k5t s SER 12 CO -0.02 -2.08 1.55 -0.78 0.41 0.00 0.00 173.24 172.32 2k5t h ASP 13 N -1.04 -0.27 0.87 2.44 3.58 -1.99 -0.45 116.42 119.57 2k5t h ASP 13 Ca -0.44 -0.09 -0.07 0.00 0.42 0.00 0.00 57.03 56.85 2k5t h ASP 13 Cb 1.28 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.39 2k5t h ASP 13 CO 0.51 -0.08 -0.35 -0.61 -2.88 0.00 0.00 179.24 175.84 2k5t h GLN 14 N -0.44 0.00 -0.65 0.28 4.15 -1.98 -1.16 115.11 115.30 2k5t h GLN 14 Ca -0.03 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 2k5t h GLN 14 Cb 0.34 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 2k5t h GLN 14 CO 0.05 0.35 0.31 -0.44 -1.93 0.00 0.00 178.83 177.17 2k5t h ASP 15 N 0.00 0.86 -0.60 -0.69 3.32 -1.88 -0.72 116.42 116.71 2k5t h ASP 15 Ca -0.00 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.83 2k5t h ASP 15 Cb 0.88 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 2k5t h ASP 15 CO 0.05 0.76 0.09 -0.09 -1.72 0.00 0.00 179.24 178.32 2k5t h ARG 16 N 0.90 1.03 -0.81 3.56 2.43 -0.45 -2.72 114.38 118.32 2k5t h ARG 16 Ca 0.22 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2k5t h ARG 16 Cb 0.13 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 2k5t h ARG 16 CO -0.03 0.95 0.54 0.82 -1.51 0.00 0.00 179.97 180.74 2k5t h ILE 17 N 0.97 1.20 -0.50 1.20 2.04 -0.47 0.43 117.51 122.37 2k5t h ILE 17 Ca 0.19 -0.37 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 2k5t h ILE 17 Cb 0.43 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2k5t h ILE 17 CO 0.01 0.20 -0.19 -0.78 0.00 0.00 0.00 178.15 177.40 2k5t h ASP 18 N 1.09 1.03 0.05 1.72 3.58 -1.06 -0.04 116.42 122.79 2k5t h ASP 18 Ca 0.30 -0.38 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 2k5t h ASP 18 Cb -0.11 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.65 2k5t h ASP 18 CO -0.07 1.18 -0.16 -0.07 -2.88 0.00 0.00 179.24 177.24 2k5t h LEU 19 N 0.87 0.21 -0.00 2.28 3.38 -1.12 -1.55 115.31 119.37 2k5t h LEU 19 Ca 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2k5t h LEU 19 Cb 0.77 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2k5t h LEU 19 CO 0.06 0.39 0.00 1.67 0.09 0.00 0.00 178.44 180.65 2k5t n GLN 20 N -4.25 0.01 0.05 1.13 7.27 0.15 -0.37 117.38 121.37 2k5t n GLN 20 Ca -0.01 0.03 -0.10 0.00 0.07 0.00 0.00 57.00 56.99 2k5t n GLN 20 Cb 0.29 -1.51 -0.13 0.00 2.41 0.00 0.00 30.24 31.30 2k5t n GLN 20 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2k5t h LYS 21 N 0.00 0.08 -0.09 3.69 1.57 -0.03 -2.97 116.57 118.82 2k5t h LYS 21 Ca 0.00 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 2k5t h LYS 21 Cb 0.48 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2k5t h LYS 21 CO 0.00 0.97 -0.24 0.82 -0.57 0.00 0.00 179.45 180.43 2k5t h ILE 22 N 0.02 1.41 -3.58 1.86 2.04 -0.91 -3.40 117.51 114.95 2k5t h ILE 22 Ca -0.11 -1.58 -0.67 0.00 1.00 0.00 0.00 64.86 63.51 2k5t h ILE 22 Cb 1.88 2.20 -0.39 0.00 -0.74 0.00 0.00 36.82 39.77 2k5t h ILE 22 CO 0.14 0.45 -0.64 0.26 0.00 0.00 0.00 178.15 178.36 2k5t s TRP 23 N -3.85 3.59 0.60 1.37 0.51 0.51 -4.98 118.94 116.68 2k5t s TRP 23 Ca -0.14 -2.89 0.30 0.00 -2.12 0.00 0.00 56.10 51.24 2k5t s TRP 23 Cb 0.04 -2.99 1.78 0.00 -0.81 0.00 0.00 33.47 31.49 2k5t s TRP 23 CO 0.76 -0.91 2.19 -1.35 -0.51 0.00 0.00 176.95 177.13 2k5t h PRO 24 N 7.45 0.00 -2.27 4.98 0.11 -1.74 -3.30 132.00 137.23 2k5t h PRO 24 Ca -0.06 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.54 2k5t h PRO 24 Cb 1.00 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.75 2k5t h PRO 24 CO 0.61 0.00 -0.83 -2.00 -0.21 0.00 0.00 178.00 175.56 2k5t s GLU 25 N -4.60 0.72 -0.12 1.05 2.12 -1.26 -4.99 118.70 111.61 2k5t s GLU 25 Ca -0.05 -1.46 0.01 0.00 0.36 0.00 0.00 54.97 53.83 2k5t s GLU 25 Cb 0.15 -1.12 0.02 0.00 0.26 0.00 0.00 34.13 33.43 2k5t s GLU 25 CO 0.53 -1.27 -0.14 -0.47 -0.54 0.00 0.00 175.26 173.37 2k5t s TYR 26 N 0.81 1.98 0.06 5.30 5.04 -1.24 -5.12 117.35 124.17 2k5t s TYR 26 Ca 0.23 -1.00 -0.20 0.00 -2.44 0.00 0.00 57.07 53.67 2k5t s TYR 26 Cb -0.11 -1.45 -0.06 0.00 0.35 0.00 0.00 41.96 40.68 2k5t s TYR 26 CO -0.07 -0.54 0.60 -1.12 -1.34 0.00 0.00 175.55 173.08 2k5t s SER 27 N 1.22 7.07 -0.67 4.32 0.01 -1.26 -4.97 113.70 119.42 2k5t s SER 27 Ca -0.02 1.27 -0.26 0.00 1.31 0.00 0.00 55.95 58.26 2k5t s SER 27 Cb -0.14 -2.37 -0.12 0.00 0.21 0.00 0.00 66.02 63.59 2k5t s SER 27 CO -0.05 0.22 2.45 -0.81 0.41 0.00 0.00 173.24 175.45 2k5t n PRO 28 N 1.98 0.71 -0.03 12.44 -0.04 -1.26 -4.71 135.00 144.10 2k5t n PRO 28 Ca -0.09 -0.20 -0.05 0.00 -0.04 0.00 0.00 63.50 63.12 2k5t n PRO 28 Cb 0.51 -3.08 -0.02 0.00 -0.04 0.00 0.00 33.50 30.87 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 15.19 1.51 -0.79 3.54 7.64 -1.26 -4.71 113.62 134.74 2k5t n SER 29 Ca 0.46 0.24 0.12 0.00 1.01 0.00 0.00 58.87 60.70 2k5t n SER 29 Cb 0.42 -0.55 0.21 0.00 -1.01 0.00 0.00 64.21 63.27 2k5t n SER 29 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2k5t n SER 30 N -3.97 2.51 0.32 6.43 3.41 -1.26 -4.18 113.62 116.88 2k5t n SER 30 Ca -0.08 -1.82 0.20 0.00 -0.26 0.00 0.00 58.87 56.92 2k5t n SER 30 Cb 0.28 0.03 1.04 0.00 -0.26 0.00 0.00 64.21 65.31 2k5t n SER 30 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2k5t h LEU 31 N 3.89 0.00 -8.41 1.04 3.38 -1.91 -3.35 115.31 109.95 2k5t h LEU 31 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 2k5t h LEU 31 Cb 0.85 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 2k5t h LEU 31 CO 0.00 0.01 1.22 -1.10 0.09 0.00 0.00 178.44 178.66 2k5t s GLN 32 N -4.12 2.84 0.22 1.13 -0.21 -1.26 -4.98 119.66 113.28 2k5t s GLN 32 Ca -0.04 0.18 -0.06 0.00 0.02 0.00 0.00 55.36 55.46 2k5t s GLN 32 Cb 0.12 -4.43 -0.06 0.00 1.00 0.00 0.00 33.01 29.64 2k5t s GLN 32 CO 0.47 -2.58 0.49 0.14 -2.12 0.00 0.00 175.29 171.68 2k5t s VAL 33 N 7.92 5.04 0.27 1.09 -7.23 -1.26 -4.92 120.40 121.32 2k5t s VAL 33 Ca 0.56 0.19 -0.11 0.00 -1.81 0.00 0.00 61.98 60.81 2k5t s VAL 33 Cb -0.10 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.19 2k5t s VAL 33 CO 0.16 -0.10 0.49 -0.62 -0.31 0.00 0.00 175.10 174.71 2k5t s ASP 34 N -2.62 0.08 0.40 4.85 2.15 0.13 -4.94 116.67 116.71 2k5t s ASP 34 Ca 0.44 -1.04 0.15 0.00 0.43 0.00 0.00 52.55 52.53 2k5t s ASP 34 Cb -0.11 0.61 0.84 0.00 -0.30 0.00 0.00 42.92 43.96 2k5t s ASP 34 CO 0.25 -1.20 1.87 -0.78 -0.17 0.00 0.00 175.17 175.14 2k5t h ASP 35 N 2.22 0.00 0.37 -0.34 3.58 -2.01 -2.92 116.42 117.32 2k5t h ASP 35 Ca -0.27 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 56.87 2k5t h ASP 35 Cb 1.25 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.26 2k5t h ASP 35 CO 0.36 0.32 -1.80 0.59 -2.88 0.00 0.00 179.24 175.83 2k5t n ASN 36 N -4.03 1.29 -4.24 2.28 4.13 -1.26 -4.72 115.26 108.70 2k5t n ASN 36 Ca -0.02 0.35 -0.43 0.00 1.68 0.00 0.00 54.58 56.17 2k5t n ASN 36 Cb 0.37 -0.33 -0.07 0.00 -1.54 0.00 0.00 39.78 38.21 2k5t n ASN 36 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 2k5t s HIS 37 N -2.59 3.38 -0.05 3.10 3.76 -1.10 -0.95 115.29 120.85 2k5t s HIS 37 Ca -0.10 -1.72 0.04 0.00 -0.15 0.00 0.00 55.06 53.13 2k5t s HIS 37 Cb 0.08 -3.60 -0.02 0.00 1.11 0.00 0.00 32.58 30.14 2k5t s HIS 37 CO 0.81 -1.00 -0.15 1.03 -0.85 0.00 0.00 174.74 174.58 2k5t s ARG 38 N 1.36 2.51 -0.21 1.40 0.52 -0.27 0.18 118.95 124.43 2k5t s ARG 38 Ca 0.06 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.56 2k5t s ARG 38 Cb -0.27 -2.36 0.03 0.00 0.52 0.00 0.00 34.95 32.87 2k5t s ARG 38 CO 0.00 0.60 -0.16 0.42 0.02 0.00 0.00 175.30 176.18 2k5t s ILE 39 N -0.67 2.18 -0.20 1.52 1.01 -1.26 -1.00 121.20 122.79 2k5t s ILE 39 Ca 0.10 -1.15 -0.10 0.00 0.00 0.00 0.00 60.65 59.49 2k5t s ILE 39 Cb -0.11 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 2k5t s ILE 39 CO 0.01 0.34 0.15 -0.31 0.00 0.00 0.00 174.94 175.12 2k5t s TYR 40 N 1.24 3.41 -0.18 3.97 1.51 -0.80 -0.92 117.35 125.58 2k5t s TYR 40 Ca 0.00 0.35 0.00 0.00 -1.01 0.00 0.00 57.07 56.42 2k5t s TYR 40 Cb -0.15 -2.18 0.01 0.00 -0.11 0.00 0.00 41.96 39.52 2k5t s TYR 40 CO -0.10 0.27 -0.17 0.00 -1.11 0.00 0.00 175.55 174.45 2k5t s ALA 41 N 0.41 2.43 -0.49 3.71 0.00 0.87 -2.04 121.76 126.64 2k5t s ALA 41 Ca 0.09 -1.19 -0.20 0.00 0.00 0.00 0.00 51.96 50.65 2k5t s ALA 41 Cb -0.11 -1.27 0.04 0.00 0.00 0.00 0.00 23.12 21.78 2k5t s ALA 41 CO -0.01 -0.32 0.68 0.00 0.00 0.00 0.00 175.76 176.11 2k5t s ALA 42 N 1.26 3.33 -0.14 0.00 0.00 0.74 -1.83 121.76 125.13 2k5t s ALA 42 Ca 0.04 -1.48 -0.13 0.00 0.00 0.00 0.00 51.96 50.39 2k5t s ALA 42 Cb -0.14 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 2k5t s ALA 42 CO -0.09 -2.00 0.28 -0.98 0.00 0.00 0.00 175.76 172.97 2k5t s ARG 43 N 2.92 4.11 -0.48 0.00 1.70 -0.26 -1.48 118.95 125.46 2k5t s ARG 43 Ca 0.20 0.09 -0.15 0.00 -0.47 0.00 0.00 55.73 55.40 2k5t s ARG 43 Cb -0.16 -3.37 0.08 0.00 -0.57 0.00 0.00 34.95 30.93 2k5t s ARG 43 CO 0.16 0.37 0.39 0.12 -1.08 0.00 0.00 175.30 175.26 2k5t s PHE 44 N 0.07 3.26 0.00 5.89 5.36 0.05 -1.89 117.98 130.73 2k5t s PHE 44 Ca 0.17 -1.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.05 2k5t s PHE 44 Cb -0.13 -3.24 0.00 0.00 -0.34 0.00 0.00 43.02 39.30 2k5t s PHE 44 CO 0.05 -0.84 0.00 -1.71 -1.46 0.00 0.00 175.22 171.25 2k5t n ASN 45 N 5.16 0.00 0.10 6.13 5.15 -1.26 -3.58 115.26 126.96 2k5t n ASN 45 Ca -0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 2k5t n ASN 45 Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 2k5t n ASN 45 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2k5t n GLU 46 N 0.00 0.00 -2.90 1.20 0.28 -1.26 -5.06 120.64 112.90 2k5t n GLU 46 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.79 2k5t n GLU 46 Cb 0.00 -0.09 0.02 0.00 1.43 0.00 0.00 31.44 32.80 2k5t n GLU 46 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2k5t s ARG 47 N -2.00 2.84 -0.50 3.44 0.52 -1.24 -4.90 118.95 117.11 2k5t s ARG 47 Ca 0.00 -0.73 -0.21 0.00 -0.52 0.00 0.00 55.73 54.26 2k5t s ARG 47 Cb 0.00 -2.58 0.05 0.00 0.52 0.00 0.00 34.95 32.94 2k5t s ARG 47 CO 0.00 -0.41 0.73 -0.51 0.02 0.00 0.00 175.30 175.12 2k5t s LEU 48 N -4.58 4.60 0.07 2.53 1.43 -1.26 -0.77 118.68 120.70 2k5t s LEU 48 Ca 0.52 -0.61 0.23 0.00 -1.03 0.00 0.00 54.13 53.25 2k5t s LEU 48 Cb -0.10 -2.63 0.09 0.00 0.03 0.00 0.00 46.19 43.57 2k5t s LEU 48 CO 0.37 -0.97 1.06 0.18 0.23 0.00 0.00 176.35 177.22 2k5t n LEU 49 N 6.59 0.62 -3.79 1.79 4.32 -0.55 -4.84 117.00 121.15 2k5t n LEU 49 Ca -0.03 0.05 -0.19 0.00 -0.02 0.00 0.00 56.01 55.82 2k5t n LEU 49 Cb 0.47 -0.11 -0.17 0.00 -1.62 0.00 0.00 43.42 41.99 2k5t n LEU 49 CO 0.57 0.01 -0.37 0.00 -1.22 0.00 0.00 177.39 176.37 2k5t s ALA 50 N -3.21 0.43 -0.08 -1.18 0.00 -1.00 -0.30 121.76 116.42 2k5t s ALA 50 Ca 0.03 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.10 2k5t s ALA 50 Cb 0.14 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.79 2k5t s ALA 50 CO 0.79 -0.22 -0.19 0.00 0.00 0.00 0.00 175.76 176.14 2k5t s ALA 51 N 1.41 1.79 -0.03 0.00 0.00 -0.41 -0.18 121.76 124.34 2k5t s ALA 51 Ca -0.04 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2k5t s ALA 51 Cb -0.13 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.30 2k5t s ALA 51 CO -0.03 0.22 -0.05 0.54 0.00 0.00 0.00 175.76 176.45 2k5t s VAL 52 N 0.45 0.47 -0.15 0.00 0.11 -0.87 -1.17 120.40 119.24 2k5t s VAL 52 Ca -0.17 -0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 58.64 2k5t s VAL 52 Cb -0.17 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 2k5t s VAL 52 CO 0.07 0.18 0.16 -0.13 -3.33 0.00 0.00 175.10 172.04 2k5t s ARG 53 N 0.48 3.86 -0.03 1.54 0.52 -1.07 -1.90 118.95 122.35 2k5t s ARG 53 Ca -0.06 -0.13 -0.01 0.00 -0.52 0.00 0.00 55.73 55.01 2k5t s ARG 53 Cb -0.09 -3.31 0.03 0.00 0.52 0.00 0.00 34.95 32.09 2k5t s ARG 53 CO -0.00 0.52 0.04 0.54 0.02 0.00 0.00 175.30 176.42 2k5t s VAL 54 N -0.29 -0.07 -0.29 3.52 0.11 -0.17 -1.21 120.40 122.01 2k5t s VAL 54 Ca 0.12 0.28 -0.06 0.00 -2.93 0.00 0.00 61.98 59.39 2k5t s VAL 54 Cb -0.12 -0.11 0.01 0.00 -1.53 0.00 0.00 36.38 34.63 2k5t s VAL 54 CO 0.02 0.12 0.06 -0.89 -3.33 0.00 0.00 175.10 171.08 2k5t s THR 55 N 1.43 3.87 -0.53 5.04 2.01 0.12 -1.12 115.64 126.46 2k5t s THR 55 Ca -0.04 -0.69 -0.25 0.00 0.31 0.00 0.00 61.69 61.01 2k5t s THR 55 Cb -0.13 -2.98 0.04 0.00 0.01 0.00 0.00 72.50 69.44 2k5t s THR 55 CO -0.03 0.11 0.95 -0.76 -0.69 0.00 0.00 174.62 174.20 2k5t s LEU 56 N 1.49 4.04 -0.53 4.42 1.43 -0.12 -0.38 118.68 129.02 2k5t s LEU 56 Ca 0.03 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 2k5t s LEU 56 Cb -0.17 -2.93 0.21 0.00 0.03 0.00 0.00 46.19 43.34 2k5t s LEU 56 CO 0.02 -1.20 2.33 -0.24 0.23 0.00 0.00 176.35 177.49 2k5t n SER 57 N 7.46 6.87 0.00 2.29 2.88 0.17 -4.81 113.62 128.48 2k5t n SER 57 Ca 0.03 -3.38 0.00 0.00 -1.33 0.00 0.00 58.87 54.19 2k5t n SER 57 Cb 0.48 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 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 0.19 1.55 0.14 0.46 0.00 -1.26 -3.57 105.19 102.70 2k5t n GLY 58 Ca 0.47 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2k5t n GLY 58 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k5t h THR 59 N 0.00 0.00 -3.64 2.61 1.35 -1.93 -3.43 112.91 107.87 2k5t h THR 59 Ca 0.00 -0.74 -0.66 0.00 -0.55 0.00 0.00 66.41 64.46 2k5t h THR 59 Cb 0.00 1.59 -0.23 0.00 -1.73 0.00 0.00 68.15 67.78 2k5t h THR 59 CO 0.00 0.00 -0.61 -0.70 -0.25 0.00 0.00 175.52 173.96 2k5t s GLU 60 N -3.19 3.52 -0.35 4.72 2.12 -1.23 -0.85 118.70 123.44 2k5t s GLU 60 Ca 0.07 -0.57 -0.13 0.00 0.36 0.00 0.00 54.97 54.70 2k5t s GLU 60 Cb 0.09 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 2k5t s GLU 60 CO 0.67 -0.27 0.24 0.20 -0.54 0.00 0.00 175.26 175.57 2k5t s GLY 61 N 1.60 1.96 -0.48 -1.50 0.00 0.10 0.44 107.32 109.44 2k5t s GLY 61 Ca 0.06 -1.47 -0.16 0.00 0.00 0.00 0.00 44.72 43.15 2k5t s GLY 61 CO 0.04 0.80 0.42 0.00 0.00 0.00 0.00 173.10 174.36 2k5t s ALA 62 N 1.69 3.54 -0.40 3.20 0.00 0.48 -0.20 121.76 130.09 2k5t s ALA 62 Ca 0.05 -2.08 -0.18 0.00 0.00 0.00 0.00 51.96 49.75 2k5t s ALA 62 Cb -0.18 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.85 2k5t s ALA 62 CO 0.10 -1.77 0.48 -0.51 0.00 0.00 0.00 175.76 174.06 2k5t s LEU 63 N 1.75 4.61 -0.04 0.00 1.02 0.15 0.12 118.68 126.29 2k5t s LEU 63 Ca 0.05 -0.39 0.06 0.00 0.02 0.00 0.00 54.13 53.87 2k5t s LEU 63 Cb -0.24 -2.49 -0.02 0.00 0.02 0.00 0.00 46.19 43.46 2k5t s LEU 63 CO 0.07 -0.56 -0.22 -0.62 0.02 0.00 0.00 176.35 175.04 2k5t s ASP 64 N 1.82 3.35 -0.17 2.29 2.15 -0.35 -0.22 116.67 125.55 2k5t s ASP 64 Ca 0.16 -0.40 -0.01 0.00 0.43 0.00 0.00 52.55 52.72 2k5t s ASP 64 Cb -0.16 -0.66 0.00 0.00 -0.30 0.00 0.00 42.92 41.81 2k5t s ASP 64 CO 0.14 0.30 0.02 -1.20 -0.17 0.00 0.00 175.17 174.26 2k5t n SER 65 N 2.59 -5.02 -4.31 -0.34 7.64 -1.26 -3.36 113.62 109.56 2k5t n SER 65 Ca -0.17 0.84 -0.38 0.00 1.01 0.00 0.00 58.87 60.17 2k5t n SER 65 Cb 0.52 -3.53 -0.12 0.00 -1.01 0.00 0.00 64.21 60.06 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 -0.89 4.36 -0.28 -3.43 2.96 -1.26 -2.60 118.68 117.53 2k5t s LEU 66 Ca -0.02 -1.05 0.01 0.00 -0.22 0.00 0.00 54.13 52.85 2k5t s LEU 66 Cb 0.00 -1.91 0.08 0.00 0.50 0.00 0.00 46.19 44.86 2k5t s LEU 66 CO 0.46 -0.32 0.03 -0.13 -1.32 0.00 0.00 176.35 175.06 2k5t s ARG 67 N 1.45 1.21 -0.03 1.98 0.52 -0.32 -5.00 118.95 118.76 2k5t s ARG 67 Ca -0.00 -1.16 -0.03 0.00 -0.52 0.00 0.00 55.73 54.02 2k5t s ARG 67 Cb -0.19 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 2k5t s ARG 67 CO 0.04 -0.80 0.15 0.08 0.02 0.00 0.00 175.30 174.79 2k5t s VAL 68 N 1.40 5.30 0.78 3.52 1.01 -1.26 -1.29 120.40 129.86 2k5t s VAL 68 Ca 0.03 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 2k5t s VAL 68 Cb -0.18 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 32.83 2k5t s VAL 68 CO -0.13 0.39 1.20 -0.13 0.00 0.00 0.00 175.10 176.43 2k5t s ARG 69 N -1.70 1.86 0.31 2.72 0.52 0.59 -4.85 118.95 118.39 2k5t s ARG 69 Ca 0.24 1.71 0.07 0.00 -0.52 0.00 0.00 55.73 57.23 2k5t s ARG 69 Cb -0.12 -1.80 0.80 0.00 0.52 0.00 0.00 34.95 34.35 2k5t s ARG 69 CO 0.15 -2.04 1.72 1.49 0.02 0.00 0.00 175.30 176.64 2k5t h GLU 70 N -0.70 0.52 0.00 3.54 4.22 -1.98 -0.06 114.58 120.12 2k5t h GLU 70 Ca -0.46 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.94 2k5t h GLU 70 Cb 1.29 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2k5t h GLU 70 CO 0.48 0.34 0.00 0.28 -2.18 0.00 0.00 179.01 177.93 2k5t n VAL 71 N -4.93 0.71 -1.87 0.32 0.31 -1.26 -4.16 118.33 107.45 2k5t n VAL 71 Ca 0.25 0.05 -0.40 0.00 -0.01 0.00 0.00 64.34 64.23 2k5t n VAL 71 Cb 0.69 -0.92 -0.01 0.00 -0.91 0.00 0.00 33.84 32.69 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 -2.12 5.00 -4.93 2.52 -1.04 -0.04 -4.88 114.28 108.79 2k5t n THR 72 Ca 0.04 -3.96 -0.33 0.00 -2.04 0.00 0.00 64.05 57.76 2k5t n THR 72 Cb 0.29 -2.20 -0.15 0.00 -1.82 0.00 0.00 70.33 66.45 2k5t n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k5t s ARG 73 N -0.37 3.24 -1.25 -2.82 1.70 -1.26 -4.73 118.95 113.46 2k5t s ARG 73 Ca 0.57 -0.75 -0.06 0.00 -0.47 0.00 0.00 55.73 55.02 2k5t s ARG 73 Cb 0.18 -2.51 -0.01 0.00 -0.57 0.00 0.00 34.95 32.04 2k5t s ARG 73 CO -0.08 0.22 0.71 0.54 -1.08 0.00 0.00 175.30 175.61 2k5t n ARG 74 N 3.47 -3.48 -0.17 3.89 1.74 -1.26 -4.90 116.66 115.94 2k5t n ARG 74 Ca -0.18 0.58 0.01 0.00 -0.77 0.00 0.00 57.85 57.48 2k5t n ARG 74 Cb 0.53 -4.89 0.01 0.00 -1.02 0.00 0.00 32.46 27.09 2k5t n ARG 74 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2k5t n ARG 75 N -4.16 0.46 0.00 5.56 0.63 -1.26 -5.02 116.66 112.87 2k5t n ARG 75 Ca -0.23 -0.96 0.00 0.00 -0.92 0.00 0.00 57.85 55.75 2k5t n ARG 75 Cb 0.65 -0.64 0.00 0.00 0.45 0.00 0.00 32.46 32.92 2k5t n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k5t n GLY 76 N -0.18 1.80 0.32 5.14 0.00 -1.26 -4.80 105.19 106.22 2k5t n GLY 76 Ca 0.01 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 0.62 -0.55 1.61 2.07 -1.95 -1.41 116.25 116.64 2k5t h VAL 77 Ca 0.00 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.37 2k5t h VAL 77 Cb 0.00 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 29.72 2k5t h VAL 77 CO 0.00 0.11 0.29 1.23 0.02 0.00 0.00 177.57 179.22 2k5t h GLY 78 N 0.58 0.77 0.72 2.17 0.00 -1.88 0.20 103.07 105.63 2k5t h GLY 78 Ca 0.54 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 2k5t h GLY 78 CO -0.43 0.14 0.00 -1.61 0.00 0.00 0.00 176.54 174.64 2k5t h GLN 79 N 0.56 0.01 -0.83 4.80 4.15 -1.69 -2.79 115.11 119.33 2k5t h GLN 79 Ca 0.24 -0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.76 2k5t h GLN 79 Cb 0.13 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.74 2k5t h GLN 79 CO -0.15 0.29 0.46 -0.92 -1.93 0.00 0.00 178.83 176.58 2k5t h TYR 80 N -0.27 0.82 0.07 3.99 5.03 -1.17 -1.76 116.97 123.68 2k5t h TYR 80 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2k5t h TYR 80 Cb 0.29 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.31 2k5t h TYR 80 CO 0.02 0.30 -0.12 1.25 -1.32 0.00 0.00 178.16 178.29 2k5t h LEU 81 N 0.74 -0.36 -0.65 2.82 5.85 -0.43 -1.76 115.31 121.52 2k5t h LEU 81 Ca 0.41 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 59.11 2k5t h LEU 81 Cb 0.44 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2k5t h LEU 81 CO -0.28 -0.14 0.20 -0.07 -0.34 0.00 0.00 178.44 177.81 2k5t h LEU 82 N -0.21 0.96 -1.13 2.25 -0.00 -1.39 -2.64 115.31 113.16 2k5t h LEU 82 Ca -0.01 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.88 57.64 2k5t h LEU 82 Cb 0.19 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.57 2k5t h LEU 82 CO -0.05 0.92 0.34 -0.33 -0.00 0.00 0.00 178.44 179.32 2k5t h GLU 83 N 0.95 0.95 -0.06 1.13 5.08 -1.32 -1.24 114.58 120.06 2k5t h GLU 83 Ca 0.21 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 2k5t h GLU 83 Cb 0.30 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2k5t h GLU 83 CO -0.01 0.72 -0.53 1.49 -1.00 0.00 0.00 179.01 179.69 2k5t h GLU 84 N 0.95 0.18 -0.42 2.33 4.81 -1.05 -1.30 114.58 120.08 2k5t h GLU 84 Ca 0.24 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2k5t h GLU 84 Cb 0.08 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2k5t h GLU 84 CO -0.03 0.67 0.23 0.28 -0.73 0.00 0.00 179.01 179.42 2k5t h VAL 85 N 0.14 1.15 0.00 0.32 2.07 -0.97 0.23 116.25 119.19 2k5t h VAL 85 Ca 0.00 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2k5t h VAL 85 Cb 0.98 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2k5t h VAL 85 CO 0.08 0.16 0.00 -0.07 0.02 0.00 0.00 177.57 177.76 2k5t h LEU 86 N 0.54 0.00 0.21 2.57 4.07 -0.91 0.28 115.31 122.08 2k5t h LEU 86 Ca 0.15 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.80 2k5t h LEU 86 Cb 0.05 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.82 2k5t h LEU 86 CO -0.02 0.00 -1.39 0.03 -1.08 0.00 0.00 178.44 175.98 2k5t h ARG 87 N 0.00 0.45 0.00 1.13 3.08 -0.40 -3.37 114.38 115.27 2k5t h ARG 87 Ca 0.00 -0.78 -0.21 0.00 0.07 0.00 0.00 59.98 59.06 2k5t h ARG 87 Cb 0.34 0.29 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 2k5t h ARG 87 CO 0.00 1.37 -1.02 -0.91 -1.07 0.00 0.00 179.97 178.34 2k5t h ASN 88 N 0.01 0.00 -3.41 7.04 2.35 -0.42 -3.42 115.58 117.72 2k5t h ASN 88 Ca -0.25 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 54.90 2k5t h ASN 88 Cb 2.03 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 40.30 2k5t h ASN 88 CO 0.22 1.00 0.43 0.20 -1.65 0.00 0.00 177.43 177.63 2k5t s ASN 89 N -6.68 6.70 0.00 5.81 0.02 0.04 -4.98 114.94 115.84 2k5t s ASN 89 Ca 0.01 0.72 0.00 0.00 -1.02 0.00 0.00 52.86 52.57 2k5t s ASN 89 Cb 0.10 -2.42 0.00 0.00 0.02 0.00 0.00 41.25 38.95 2k5t s ASN 89 CO 0.82 -0.62 0.00 -0.81 0.02 0.00 0.00 177.10 176.51 2k5t n PRO 90 N 6.23 0.00 -1.18 -0.60 -0.05 -1.26 -4.52 135.00 133.62 2k5t n PRO 90 Ca 0.04 0.26 -0.23 0.00 -0.05 0.00 0.00 63.50 63.53 2k5t n PRO 90 Cb 0.48 -0.73 -0.11 0.00 -0.05 0.00 0.00 33.50 33.09 2k5t n PRO 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2k5t n GLY 91 N 2.13 3.60 3.00 0.55 0.00 -1.26 -4.77 105.19 108.44 2k5t n GLY 91 Ca 0.00 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 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 0.96 1.65 -0.08 1.61 1.01 -1.26 -4.44 120.40 119.85 2k5t s VAL 92 Ca 0.67 -0.98 0.15 0.00 0.00 0.00 0.00 61.98 61.81 2k5t s VAL 92 Cb 0.28 -1.70 -0.22 0.00 0.00 0.00 0.00 36.38 34.74 2k5t s VAL 92 CO -0.04 0.20 0.22 -1.54 0.00 0.00 0.00 175.10 173.94 2k5t n SER 93 N 4.69 1.39 -4.11 3.32 3.41 -0.36 -4.86 113.62 117.11 2k5t n SER 93 Ca -0.15 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.12 2k5t n SER 93 Cb 0.47 1.35 -0.14 0.00 -0.26 0.00 0.00 64.21 65.63 2k5t n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k5t s TRP 95 N 1.13 3.13 -0.19 0.00 0.52 -0.34 0.01 118.94 123.19 2k5t s TRP 95 Ca -0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 56.10 56.07 2k5t s TRP 95 Cb -0.20 -3.10 -0.01 0.00 -1.15 0.00 0.00 33.47 29.00 2k5t s TRP 95 CO -0.04 -0.71 -0.05 -0.46 0.02 0.00 0.00 176.95 175.71 2k5t s TRP 96 N 2.54 2.95 -0.21 -1.98 -0.11 0.72 0.25 118.94 123.10 2k5t s TRP 96 Ca 0.19 -0.73 0.01 0.00 1.22 0.00 0.00 56.10 56.80 2k5t s TRP 96 Cb -0.15 -2.03 0.03 0.00 -1.50 0.00 0.00 33.47 29.81 2k5t s TRP 96 CO 0.16 -0.37 -0.15 -1.64 -4.62 0.00 0.00 176.95 170.32 2k5t s MET 97 N 1.05 2.82 0.07 5.86 -1.94 0.38 0.34 119.30 127.87 2k5t s MET 97 Ca 0.01 -0.96 -0.06 0.00 -1.71 0.00 0.00 55.69 52.97 2k5t s MET 97 Cb -0.15 -2.72 -0.05 0.00 2.01 0.00 0.00 34.83 33.93 2k5t s MET 97 CO -0.00 -0.32 0.33 0.00 -0.01 0.00 0.00 175.02 175.02 2k5t s ALA 98 N 1.26 3.81 -1.15 3.03 0.00 0.70 0.32 121.76 129.73 2k5t s ALA 98 Ca 0.01 -0.54 0.17 0.00 0.00 0.00 0.00 51.96 51.61 2k5t s ALA 98 Cb -0.15 -2.12 0.70 0.00 0.00 0.00 0.00 23.12 21.55 2k5t s ALA 98 CO -0.10 0.65 1.60 -0.40 0.00 0.00 0.00 175.76 177.51 2k5t n ASP 99 N 0.69 4.62 0.26 0.00 5.75 -1.26 -4.03 116.55 122.58 2k5t n ASP 99 Ca -0.07 -2.44 -0.16 0.00 -0.01 0.00 0.00 54.79 52.11 2k5t n ASP 99 Cb 0.52 -0.57 -0.08 0.00 -1.03 0.00 0.00 41.12 39.96 2k5t n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k5t h ALA 100 N 4.10 -0.73 -0.90 2.12 0.00 -1.94 -2.70 119.26 119.22 2k5t h ALA 100 Ca 0.00 -0.13 -0.66 0.00 0.00 0.00 0.00 54.91 54.12 2k5t h ALA 100 Cb 1.42 0.40 -0.26 0.00 0.00 0.00 0.00 17.79 19.35 2k5t h ALA 100 CO 0.23 -0.93 0.85 0.41 0.00 0.00 0.00 179.25 179.82 2k5t n GLY 101 N -1.43 5.41 2.66 0.00 0.00 -1.26 -4.81 105.19 105.75 2k5t n GLY 101 Ca -0.11 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.42 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 -4.40 0.45 0.14 1.61 1.01 -1.02 -4.22 120.40 113.98 2k5t s VAL 102 Ca 0.56 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 2k5t s VAL 102 Cb 0.44 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 2k5t s VAL 102 CO -0.18 -0.61 1.54 -0.33 0.00 0.00 0.00 175.10 175.51 2k5t h GLU 103 N 8.24 0.84 -2.78 2.72 3.07 -1.87 -3.26 114.58 121.54 2k5t h GLU 103 Ca -0.16 -0.33 -0.69 0.00 -0.50 0.00 0.00 59.36 57.68 2k5t h GLU 103 Cb 1.03 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.85 2k5t h GLU 103 CO 0.43 0.97 3.02 -0.25 -1.40 0.00 0.00 179.01 181.78 2k5t n ASP 104 N -4.27 8.31 -0.29 1.42 8.00 -1.26 -4.64 116.55 123.82 2k5t n ASP 104 Ca -0.01 -2.84 -0.05 0.00 0.71 0.00 0.00 54.79 52.59 2k5t n ASP 104 Cb 0.39 -1.46 0.08 0.00 -0.02 0.00 0.00 41.12 40.11 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 4.72 1.18 0.42 -1.24 2.43 -1.93 -2.37 114.38 117.59 2k5t h ARG 105 Ca 0.77 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.71 2k5t h ARG 105 Cb 0.33 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2k5t h ARG 105 CO 1.59 0.95 -0.20 0.78 -1.51 0.00 0.00 179.97 181.58 2k5t h GLY 106 N 1.16 -0.59 0.91 2.80 0.00 -1.92 0.29 103.07 105.73 2k5t h GLY 106 Ca 0.27 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.84 2k5t h GLY 106 CO -0.02 -0.21 0.43 -2.08 0.00 0.00 0.00 176.54 174.65 2k5t h VAL 107 N -0.60 1.12 0.00 4.60 2.07 -1.95 -1.82 116.25 119.66 2k5t h VAL 107 Ca -0.06 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 2k5t h VAL 107 Cb 0.45 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2k5t h VAL 107 CO 0.09 0.16 -0.28 -0.03 0.02 0.00 0.00 177.57 177.53 2k5t h MET 108 N 0.86 0.00 0.24 1.57 1.85 -1.15 -0.91 114.93 117.38 2k5t h MET 108 Ca 0.26 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.34 2k5t h MET 108 Cb -0.02 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.01 2k5t h MET 108 CO -0.09 0.28 -0.11 1.15 -0.40 0.00 0.00 176.91 177.74 2k5t h THR 109 N 0.00 0.80 -0.50 -0.77 2.02 0.44 0.20 112.91 115.11 2k5t h THR 109 Ca -0.00 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 2k5t h THR 109 Cb 0.62 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 2k5t h THR 109 CO 0.04 0.05 0.09 0.00 0.37 0.00 0.00 175.52 176.06 2k5t h ALA 110 N 0.31 1.22 0.79 6.16 0.00 -1.24 -0.56 119.26 125.93 2k5t h ALA 110 Ca -0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2k5t h ALA 110 Cb 0.33 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k5t h ALA 110 CO 0.05 0.53 -0.38 0.35 0.00 0.00 0.00 179.25 179.81 2k5t h PHE 111 N 0.74 -0.98 -0.17 0.00 3.57 -0.95 -2.17 116.94 116.99 2k5t h PHE 111 Ca 0.16 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 2k5t h PHE 111 Cb 0.33 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2k5t h PHE 111 CO 0.02 -0.61 -0.29 0.52 -2.23 0.00 0.00 178.31 175.72 2k5t h MET 112 N -1.07 0.32 -0.59 1.11 2.86 -0.48 -2.11 114.93 114.97 2k5t h MET 112 Ca -0.11 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.36 2k5t h MET 112 Cb 0.81 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 2k5t h MET 112 CO 0.18 0.59 0.16 0.37 1.06 0.00 0.00 176.91 179.27 2k5t h GLN 113 N 0.28 0.90 -0.02 1.72 4.15 -1.09 0.18 115.11 121.24 2k5t h GLN 113 Ca 0.04 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 59.22 2k5t h GLN 113 Cb 0.66 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 2k5t h GLN 113 CO 0.05 0.80 -0.27 0.00 -1.93 0.00 0.00 178.83 177.47 2k5t h ALA 114 N 1.30 1.50 -0.04 3.38 0.00 -0.74 -0.16 119.26 124.52 2k5t h ALA 114 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k5t h ALA 114 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2k5t h ALA 114 CO -0.00 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.89 2k5t n LEU 115 N -4.20 0.66 0.00 0.00 4.32 -0.52 -4.90 117.00 112.37 2k5t n LEU 115 Ca -0.02 -0.25 0.00 0.00 -0.02 0.00 0.00 56.01 55.72 2k5t n LEU 115 Cb 0.33 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 2k5t n LEU 115 CO 0.38 0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.29 2k5t n GLY 116 N 1.00 0.86 3.77 -0.72 0.00 -0.07 -5.06 105.19 104.97 2k5t n GLY 116 Ca 0.18 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.00 3.60 0.14 1.61 0.40 0.53 -4.82 117.98 117.44 2k5t s PHE 117 Ca 0.00 0.90 -0.14 0.00 -0.60 0.00 0.00 56.93 57.10 2k5t s PHE 117 Cb 0.00 -2.43 -0.07 0.00 0.51 0.00 0.00 43.02 41.03 2k5t s PHE 117 CO 0.00 0.37 0.53 0.99 0.70 0.00 0.00 175.22 177.81 2k5t s THR 118 N -0.08 4.88 -0.30 0.64 2.01 -0.40 -3.97 115.64 118.43 2k5t s THR 118 Ca 0.24 0.78 -0.14 0.00 0.31 0.00 0.00 61.69 62.88 2k5t s THR 118 Cb -0.16 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 2k5t s THR 118 CO 0.11 0.24 0.32 0.42 -0.69 0.00 0.00 174.62 175.02 2k5t s THR 119 N -1.47 5.21 0.00 -0.82 -4.23 -1.26 -0.63 115.64 112.44 2k5t s THR 119 Ca 0.38 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 2k5t s THR 119 Cb -0.15 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 69.99 2k5t s THR 119 CO 0.19 0.09 0.00 0.00 -0.54 0.00 0.00 174.62 174.36 2k5t n GLN 120 N 5.27 0.00 -3.66 3.99 6.02 -1.07 -5.00 117.38 122.93 2k5t n GLN 120 Ca -0.10 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.82 2k5t n GLN 120 Cb 0.51 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.68 2k5t n GLN 120 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2k5t s GLN 121 N 0.38 0.45 0.00 -1.09 0.74 -1.26 -4.83 119.66 114.04 2k5t s GLN 121 Ca 0.00 1.10 0.00 0.00 0.05 0.00 0.00 55.36 56.51 2k5t s GLN 121 Cb 0.00 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.46 2k5t s GLN 121 CO 0.00 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 174.94 2k5t n GLY 122 N 5.02 0.70 0.00 2.59 0.00 -1.26 -4.91 105.19 107.33 2k5t n GLY 122 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.58 0.47 3.87 -0.02 0.00 -1.26 -4.31 105.19 101.35 2k5t n GLY 123 Ca 0.00 -1.98 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.11 3.39 -0.03 1.61 0.51 0.15 -2.60 118.94 120.86 2k5t s TRP 124 Ca 0.00 0.17 0.02 0.00 -2.12 0.00 0.00 56.10 54.17 2k5t s TRP 124 Cb 0.00 -1.69 0.01 0.00 -0.81 0.00 0.00 33.47 30.98 2k5t s TRP 124 CO 0.00 0.56 -0.06 -2.00 -0.51 0.00 0.00 176.95 174.93 2k5t s GLU 125 N -2.56 0.76 -0.35 4.98 2.12 0.19 -0.47 118.70 123.38 2k5t s GLU 125 Ca 0.33 -0.20 -0.00 0.00 0.36 0.00 0.00 54.97 55.45 2k5t s GLU 125 Cb -0.12 -0.74 0.13 0.00 0.26 0.00 0.00 34.13 33.65 2k5t s GLU 125 CO 0.26 0.05 0.19 0.21 -0.54 0.00 0.00 175.26 175.42 2k5t s LYS 126 N 0.36 0.64 -0.07 4.30 2.20 0.14 -1.27 119.74 126.04 2k5t s LYS 126 Ca -0.05 -1.27 -0.03 0.00 -0.36 0.00 0.00 55.97 54.26 2k5t s LYS 126 Cb -0.09 -1.55 -0.04 0.00 -1.51 0.00 0.00 37.83 34.64 2k5t s LYS 126 CO 0.00 -1.14 0.10 0.00 -0.36 0.00 0.00 175.35 173.95