#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5t s LYS 2 N 0.00 3.75 -0.37 0.03 1.02 -1.26 -5.08 119.74 117.84 2k5t s LYS 2 Ca 0.00 -0.47 -0.19 0.00 0.02 0.00 0.00 55.97 55.34 2k5t s LYS 2 Cb 0.00 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.27 2k5t s LYS 2 CO 0.00 0.20 0.54 -1.17 -0.92 0.00 0.00 175.35 174.00 2k5t s LEU 3 N 0.50 4.41 -0.71 3.17 2.96 -1.26 -4.78 118.68 122.97 2k5t s LEU 3 Ca -0.01 -0.12 -0.25 0.00 -0.22 0.00 0.00 54.13 53.53 2k5t s LEU 3 Cb -0.14 -2.61 0.04 0.00 0.50 0.00 0.00 46.19 43.99 2k5t s LEU 3 CO 0.02 -0.55 1.16 -0.89 -1.32 0.00 0.00 176.35 174.77 2k5t s THR 4 N 2.47 3.95 -0.15 3.68 2.01 -0.24 -4.88 115.64 122.47 2k5t s THR 4 Ca 0.19 0.13 -0.15 0.00 0.31 0.00 0.00 61.69 62.17 2k5t s THR 4 Cb -0.15 -4.83 -0.04 0.00 0.01 0.00 0.00 72.50 67.48 2k5t s THR 4 CO 0.14 -1.70 0.34 -0.63 -0.69 0.00 0.00 174.62 172.08 2k5t s ILE 5 N 5.11 5.27 0.10 1.82 1.01 -1.26 -0.35 121.20 132.91 2k5t s ILE 5 Ca 0.30 0.65 0.08 0.00 0.00 0.00 0.00 60.65 61.69 2k5t s ILE 5 Cb -0.11 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 2k5t s ILE 5 CO 0.13 0.37 -0.21 -0.63 0.00 0.00 0.00 174.94 174.60 2k5t s ILE 6 N 0.55 1.75 -0.01 2.92 1.01 -0.63 -4.94 121.20 121.85 2k5t s ILE 6 Ca 0.19 -1.55 -0.16 0.00 0.00 0.00 0.00 60.65 59.13 2k5t s ILE 6 Cb -0.14 -1.58 -0.06 0.00 0.01 0.00 0.00 42.46 40.70 2k5t s ILE 6 CO 0.06 -0.04 0.44 0.00 0.00 0.00 0.00 174.94 175.39 2k5t s ARG 7 N -1.89 4.02 -0.11 2.79 1.70 -1.26 -0.54 118.95 123.65 2k5t s ARG 7 Ca 0.07 0.46 -0.05 0.00 -0.47 0.00 0.00 55.73 55.74 2k5t s ARG 7 Cb -0.10 -3.25 -0.19 0.00 -0.57 0.00 0.00 34.95 30.84 2k5t s ARG 7 CO 0.04 0.61 2.80 1.28 -1.08 0.00 0.00 175.30 178.95 2k5t n LEU 8 N 2.07 4.15 0.07 -1.89 7.99 0.01 -3.96 117.00 125.44 2k5t n LEU 8 Ca -0.13 -2.59 0.03 0.00 -0.01 0.00 0.00 56.01 53.31 2k5t n LEU 8 Cb 0.52 -1.08 -0.04 0.00 -0.11 0.00 0.00 43.42 42.71 2k5t n LEU 8 CO 0.39 1.15 -0.05 -0.08 -1.51 0.00 0.00 177.39 177.29 2k5t h GLU 9 N 3.94 0.00 -4.50 3.23 4.81 -1.93 -3.43 114.58 116.71 2k5t h GLU 9 Ca 0.19 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.78 2k5t h GLU 9 Cb 1.05 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 30.05 2k5t h GLU 9 CO 0.41 0.27 -0.77 0.15 -0.73 0.00 0.00 179.01 178.34 2k5t s LYS 10 N -3.02 1.69 -0.35 1.92 1.02 -1.25 -5.05 119.74 114.70 2k5t s LYS 10 Ca -0.01 -1.26 -0.26 0.00 0.02 0.00 0.00 55.97 54.46 2k5t s LYS 10 Cb 0.08 -2.74 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 2k5t s LYS 10 CO 0.79 -0.69 0.93 -0.06 -0.92 0.00 0.00 175.35 175.41 2k5t s PHE 11 N 1.24 3.11 0.15 3.18 0.08 -1.26 -5.03 117.98 119.45 2k5t s PHE 11 Ca -0.02 0.87 0.00 0.00 0.12 0.00 0.00 56.93 57.89 2k5t s PHE 11 Cb -0.19 -3.58 -0.04 0.00 -0.57 0.00 0.00 43.02 38.63 2k5t s PHE 11 CO -0.08 -0.77 0.32 0.45 -0.10 0.00 0.00 175.22 175.04 2k5t s SER 12 N 1.79 6.38 0.01 1.36 0.15 -1.26 -5.03 113.70 117.10 2k5t s SER 12 Ca 0.39 0.32 -0.25 0.00 0.70 0.00 0.00 55.95 57.10 2k5t s SER 12 Cb -0.12 -1.97 -0.18 0.00 -1.71 0.00 0.00 66.02 62.03 2k5t s SER 12 CO 0.17 0.04 1.41 -0.78 1.20 0.00 0.00 173.24 175.28 2k5t h ASP 13 N 2.34 0.01 -0.49 5.45 3.58 -1.99 -1.34 116.42 123.99 2k5t h ASP 13 Ca -0.47 -0.35 -0.07 0.00 0.42 0.00 0.00 57.03 56.56 2k5t h ASP 13 Cb 1.18 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 2k5t h ASP 13 CO 0.70 0.36 0.05 1.56 -2.88 0.00 0.00 179.24 179.03 2k5t h GLN 14 N -0.33 0.89 -0.91 0.28 4.20 -1.99 -0.99 115.11 116.25 2k5t h GLN 14 Ca 0.00 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 2k5t h GLN 14 Cb 0.35 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 2k5t h GLN 14 CO 0.00 0.85 0.56 -0.44 -0.67 0.00 0.00 178.83 179.13 2k5t h ASP 15 N 0.83 1.08 0.44 1.46 5.19 -1.96 -1.45 116.42 122.01 2k5t h ASP 15 Ca 0.17 -0.06 -0.08 0.00 -0.62 0.00 0.00 57.03 56.44 2k5t h ASP 15 Cb 0.42 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 2k5t h ASP 15 CO 0.01 0.82 -0.39 -0.09 -3.12 0.00 0.00 179.24 176.48 2k5t h ARG 16 N 1.25 0.00 -0.44 3.56 1.12 -0.42 -2.22 114.38 117.23 2k5t h ARG 16 Ca 0.33 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 59.16 2k5t h ARG 16 Cb -0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.87 2k5t h ARG 16 CO -0.06 0.39 0.15 0.82 -3.11 0.00 0.00 179.97 178.15 2k5t h ILE 17 N 0.00 1.22 -0.59 1.20 1.08 -0.16 -0.85 117.51 119.41 2k5t h ILE 17 Ca -0.00 -0.71 -0.07 0.00 -0.39 0.00 0.00 64.86 63.69 2k5t h ILE 17 Cb 0.71 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 2k5t h ILE 17 CO 0.05 0.25 0.08 0.44 -0.69 0.00 0.00 178.15 178.29 2k5t h ASP 18 N 0.57 0.91 -0.81 1.72 3.32 -1.13 -0.49 116.42 120.51 2k5t h ASP 18 Ca 0.14 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 56.99 2k5t h ASP 18 Cb 0.25 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 2k5t h ASP 18 CO -0.01 0.92 0.53 -0.07 -1.72 0.00 0.00 179.24 178.90 2k5t h LEU 19 N 0.90 0.94 -0.34 1.55 3.38 -1.14 0.29 115.31 120.89 2k5t h LEU 19 Ca 0.18 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2k5t h LEU 19 Cb 0.41 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2k5t h LEU 19 CO 0.01 0.69 0.00 1.67 0.09 0.00 0.00 178.44 180.91 2k5t n GLN 20 N -4.50 0.17 0.04 1.13 7.27 -0.35 -1.04 117.38 120.10 2k5t n GLN 20 Ca 0.08 0.30 0.05 0.00 0.07 0.00 0.00 57.00 57.50 2k5t n GLN 20 Cb 0.02 -1.76 -0.07 0.00 2.41 0.00 0.00 30.24 30.84 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 -2.06 0.62 0.09 3.69 4.81 -0.24 -3.16 118.16 121.91 2k5t n LYS 21 Ca 0.04 0.12 -0.14 0.00 -0.87 0.00 0.00 58.31 57.45 2k5t n LYS 21 Cb 0.28 -1.76 -0.08 0.00 0.02 0.00 0.00 35.03 33.49 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 1.44 -3.29 3.15 2.04 0.19 -3.34 117.51 117.70 2k5t h ILE 22 Ca -0.11 -2.71 -0.69 0.00 1.00 0.00 0.00 64.86 62.34 2k5t h ILE 22 Cb 1.36 2.65 -0.36 0.00 -0.74 0.00 0.00 36.82 39.72 2k5t h ILE 22 CO 0.02 0.80 -0.18 0.26 0.00 0.00 0.00 178.15 179.05 2k5t s TRP 23 N -3.00 3.82 -1.13 1.37 0.51 -0.20 -4.95 118.94 115.37 2k5t s TRP 23 Ca -0.05 -3.07 0.10 0.00 -2.12 0.00 0.00 56.10 50.96 2k5t s TRP 23 Cb 0.08 -3.15 0.46 0.00 -0.81 0.00 0.00 33.47 30.05 2k5t s TRP 23 CO 0.87 -0.71 1.30 -0.35 -0.51 0.00 0.00 176.95 177.55 2k5t n PRO 24 N 2.32 0.04 -0.04 4.98 -0.04 -1.19 -1.10 135.00 139.98 2k5t n PRO 24 Ca 0.20 0.28 0.03 0.00 -0.04 0.00 0.00 63.50 63.98 2k5t n PRO 24 Cb 0.37 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.37 2k5t n PRO 24 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k5t n GLU 25 N -1.44 1.11 -3.92 0.54 1.02 -1.26 -4.98 120.64 111.72 2k5t n GLU 25 Ca 0.03 -1.23 -0.23 0.00 -0.02 0.00 0.00 57.16 55.71 2k5t n GLU 25 Cb 0.11 -1.12 -0.17 0.00 -0.02 0.00 0.00 31.44 30.24 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 -0.69 0.90 -0.34 -0.32 5.04 -0.26 -5.10 117.35 116.58 2k5t s TYR 26 Ca 0.09 -0.32 -0.28 0.00 -2.44 0.00 0.00 57.07 54.12 2k5t s TYR 26 Cb 0.05 -0.88 0.02 0.00 0.35 0.00 0.00 41.96 41.50 2k5t s TYR 26 CO 0.07 -0.34 1.01 -1.12 -1.34 0.00 0.00 175.55 173.84 2k5t s SER 27 N 1.63 6.83 -0.33 4.32 0.01 -1.26 -4.67 113.70 120.23 2k5t s SER 27 Ca 0.01 0.86 -0.32 0.00 1.31 0.00 0.00 55.95 57.81 2k5t s SER 27 Cb -0.13 -2.51 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 2k5t s SER 27 CO -0.04 -0.87 2.23 -2.65 0.41 0.00 0.00 173.24 172.32 2k5t n PRO 28 N 6.84 1.38 -0.00 12.44 -0.02 -1.26 -4.75 135.00 149.63 2k5t n PRO 28 Ca 0.10 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2k5t n PRO 28 Cb 0.48 -2.81 -0.01 0.00 -0.02 0.00 0.00 33.50 31.14 2k5t n PRO 28 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k5t n SER 29 N 11.04 4.69 0.00 2.55 2.88 -1.26 -4.58 113.62 128.94 2k5t n SER 29 Ca 0.37 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.96 2k5t n SER 29 Cb 0.33 0.84 0.30 0.00 -0.75 0.00 0.00 64.21 64.94 2k5t n SER 29 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k5t n SER 30 N -1.76 0.00 -4.56 -3.46 7.64 -1.26 -4.76 113.62 105.47 2k5t n SER 30 Ca -0.01 -1.01 -0.14 0.00 1.01 0.00 0.00 58.87 58.72 2k5t n SER 30 Cb 0.25 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.74 1.69 -3.64 -3.43 4.77 -1.26 -4.81 117.00 109.58 2k5t n LEU 31 Ca 0.08 -1.43 -0.10 0.00 -0.03 0.00 0.00 56.01 54.53 2k5t n LEU 31 Cb 0.04 -1.62 -0.07 0.00 -2.33 0.00 0.00 43.42 39.44 2k5t n LEU 31 CO 0.06 -2.56 0.43 -1.58 -1.33 0.00 0.00 177.39 172.41 2k5t s GLN 32 N 8.84 0.73 -0.00 3.23 0.74 -1.26 -5.15 119.66 126.79 2k5t s GLN 32 Ca 0.95 1.04 0.07 0.00 0.05 0.00 0.00 55.36 57.47 2k5t s GLN 32 Cb -0.16 0.26 -0.02 0.00 1.10 0.00 0.00 33.01 34.19 2k5t s GLN 32 CO 0.11 -0.12 -0.21 0.14 -0.55 0.00 0.00 175.29 174.66 2k5t s VAL 33 N 0.95 1.70 0.44 1.34 -7.23 -1.26 -4.96 120.40 111.39 2k5t s VAL 33 Ca -0.04 -1.00 0.06 0.00 -1.81 0.00 0.00 61.98 59.19 2k5t s VAL 33 Cb -0.05 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 2k5t s VAL 33 CO -0.09 0.41 0.11 -1.81 -0.31 0.00 0.00 175.10 173.41 2k5t s ASP 34 N -0.68 4.21 0.42 4.85 1.01 0.13 -4.96 116.67 121.64 2k5t s ASP 34 Ca 0.08 -1.31 0.17 0.00 0.71 0.00 0.00 52.55 52.21 2k5t s ASP 34 Cb -0.08 -0.16 0.92 0.00 1.01 0.00 0.00 42.92 44.61 2k5t s ASP 34 CO -0.00 -0.63 1.89 -0.78 0.21 0.00 0.00 175.17 175.86 2k5t h ASP 35 N 1.46 0.00 -0.02 0.27 3.58 -1.99 -2.68 116.42 117.04 2k5t h ASP 35 Ca -0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.02 2k5t h ASP 35 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2k5t h ASP 35 CO 0.73 0.29 -0.06 0.59 -2.88 0.00 0.00 179.24 177.91 2k5t n ASN 36 N -3.92 2.71 -3.41 2.28 5.03 -1.26 -4.62 115.26 112.07 2k5t n ASN 36 Ca -0.02 -1.88 -0.22 0.00 0.87 0.00 0.00 54.58 53.33 2k5t n ASN 36 Cb 0.36 0.06 -0.10 0.00 -1.02 0.00 0.00 39.78 39.08 2k5t n ASN 36 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2k5t s HIS 37 N -2.06 0.10 0.15 3.10 3.76 -1.01 0.15 115.29 119.48 2k5t s HIS 37 Ca 0.28 -1.09 0.06 0.00 -0.15 0.00 0.00 55.06 54.17 2k5t s HIS 37 Cb 0.20 -0.62 -0.04 0.00 1.11 0.00 0.00 32.58 33.23 2k5t s HIS 37 CO 0.34 -0.91 0.04 1.03 -0.85 0.00 0.00 174.74 174.39 2k5t s ARG 38 N 1.39 2.56 -0.17 1.40 0.52 0.10 0.19 118.95 124.94 2k5t s ARG 38 Ca 0.16 -0.99 0.01 0.00 -0.52 0.00 0.00 55.73 54.39 2k5t s ARG 38 Cb -0.18 -2.47 0.03 0.00 0.52 0.00 0.00 34.95 32.85 2k5t s ARG 38 CO -0.05 0.48 -0.15 0.42 0.02 0.00 0.00 175.30 176.02 2k5t s ILE 39 N -1.65 1.77 -0.20 1.52 1.01 -1.26 -0.05 121.20 122.34 2k5t s ILE 39 Ca 0.28 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 2k5t s ILE 39 Cb -0.10 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 2k5t s ILE 39 CO 0.20 0.41 0.06 -0.31 0.00 0.00 0.00 174.94 175.29 2k5t s TYR 40 N 1.39 3.19 -0.16 3.97 2.02 -0.35 -0.81 117.35 126.60 2k5t s TYR 40 Ca 0.03 -0.07 -0.04 0.00 -0.37 0.00 0.00 57.07 56.62 2k5t s TYR 40 Cb -0.14 -2.12 -0.03 0.00 -0.40 0.00 0.00 41.96 39.28 2k5t s TYR 40 CO -0.11 0.01 -0.02 0.00 -1.57 0.00 0.00 175.55 173.86 2k5t s ALA 41 N 0.71 3.06 -0.55 3.71 0.00 0.30 -1.67 121.76 127.32 2k5t s ALA 41 Ca 0.03 -0.82 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 2k5t s ALA 41 Cb -0.13 -1.62 0.06 0.00 0.00 0.00 0.00 23.12 21.43 2k5t s ALA 41 CO 0.02 0.19 0.75 0.00 0.00 0.00 0.00 175.76 176.72 2k5t s ALA 42 N 0.39 3.31 -0.29 0.00 0.00 0.73 -1.61 121.76 124.29 2k5t s ALA 42 Ca -0.03 -1.73 -0.11 0.00 0.00 0.00 0.00 51.96 50.09 2k5t s ALA 42 Cb -0.14 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 2k5t s ALA 42 CO 0.02 -2.24 0.18 0.50 0.00 0.00 0.00 175.76 174.22 2k5t s ARG 43 N 3.09 3.75 -0.25 0.00 3.52 0.53 0.11 118.95 129.70 2k5t s ARG 43 Ca 0.18 -0.45 0.02 0.00 -0.13 0.00 0.00 55.73 55.36 2k5t s ARG 43 Cb -0.18 -3.62 0.06 0.00 -1.56 0.00 0.00 34.95 29.64 2k5t s ARG 43 CO 0.12 -0.26 -0.08 0.12 -0.81 0.00 0.00 175.30 174.40 2k5t s PHE 44 N 1.71 2.82 0.00 5.12 5.36 -0.23 -1.08 117.98 131.68 2k5t s PHE 44 Ca 0.06 -2.04 0.00 0.00 -0.96 0.00 0.00 56.93 54.00 2k5t s PHE 44 Cb -0.16 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.76 2k5t s PHE 44 CO 0.09 -0.83 0.00 -1.71 -1.46 0.00 0.00 175.22 171.32 2k5t n ASN 45 N 4.55 0.00 -0.03 6.13 2.85 -1.26 -3.83 115.26 123.68 2k5t n ASN 45 Ca -0.13 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.32 2k5t n ASN 45 Cb 0.43 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.44 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 0.16 0.00 1.20 2.13 -1.26 -5.11 120.64 117.76 2k5t n GLU 46 Ca 0.00 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.05 2k5t n GLU 46 Cb 0.00 -0.95 0.00 0.00 0.27 0.00 0.00 31.44 30.76 2k5t n GLU 46 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2k5t n ARG 47 N -3.07 0.00 -2.58 5.31 1.74 -1.25 -5.12 116.66 111.69 2k5t n ARG 47 Ca -0.03 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.62 2k5t n ARG 47 Cb 0.12 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.54 2k5t n ARG 47 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2k5t s LEU 48 N 0.00 4.20 -0.11 0.55 1.43 -1.26 -1.07 118.68 122.42 2k5t s LEU 48 Ca 0.00 1.58 0.20 0.00 -1.03 0.00 0.00 54.13 54.88 2k5t s LEU 48 Cb 0.00 -3.55 -0.28 0.00 0.03 0.00 0.00 46.19 42.39 2k5t s LEU 48 CO 0.00 -0.59 0.29 -0.11 0.23 0.00 0.00 176.35 176.16 2k5t n LEU 49 N 5.69 0.04 -3.79 1.79 7.94 0.29 -4.91 117.00 124.06 2k5t n LEU 49 Ca 0.11 0.02 -0.10 0.00 -1.11 0.00 0.00 56.01 54.93 2k5t n LEU 49 Cb 0.47 0.26 -0.05 0.00 0.53 0.00 0.00 43.42 44.62 2k5t n LEU 49 CO 0.53 0.26 0.15 0.00 -1.11 0.00 0.00 177.39 177.22 2k5t s ALA 50 N -2.97 -0.63 -0.06 1.96 0.00 -1.05 -1.88 121.76 117.13 2k5t s ALA 50 Ca -0.09 -0.40 -0.09 0.00 0.00 0.00 0.00 51.96 51.39 2k5t s ALA 50 Cb 0.10 0.80 0.02 0.00 0.00 0.00 0.00 23.12 24.04 2k5t s ALA 50 CO 0.86 -0.71 0.22 0.00 0.00 0.00 0.00 175.76 176.13 2k5t s ALA 51 N -3.89 -0.53 -0.09 0.00 0.00 -0.83 -0.19 121.76 116.23 2k5t s ALA 51 Ca 0.10 0.42 -0.09 0.00 0.00 0.00 0.00 51.96 52.39 2k5t s ALA 51 Cb 0.01 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.95 2k5t s ALA 51 CO -0.04 -0.15 0.25 0.54 0.00 0.00 0.00 175.76 176.36 2k5t s VAL 52 N -0.39 0.00 -0.11 0.00 0.11 -0.67 -2.29 120.40 117.04 2k5t s VAL 52 Ca -0.05 -0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 58.91 2k5t s VAL 52 Cb -0.03 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2k5t s VAL 52 CO 0.01 -0.02 0.10 -0.13 -3.33 0.00 0.00 175.10 171.74 2k5t s ARG 53 N 0.06 3.32 -0.10 1.54 0.52 -0.73 -1.21 118.95 122.36 2k5t s ARG 53 Ca -0.01 -0.20 -0.00 0.00 -0.52 0.00 0.00 55.73 55.00 2k5t s ARG 53 Cb -0.02 -3.09 0.02 0.00 0.52 0.00 0.00 34.95 32.38 2k5t s ARG 53 CO 0.00 0.76 -0.07 0.54 0.02 0.00 0.00 175.30 176.55 2k5t s VAL 54 N -0.99 0.93 0.05 3.52 0.11 0.93 -0.50 120.40 124.44 2k5t s VAL 54 Ca 0.15 -0.25 -0.17 0.00 -2.93 0.00 0.00 61.98 58.78 2k5t s VAL 54 Cb -0.12 -0.94 -0.06 0.00 -1.53 0.00 0.00 36.38 33.73 2k5t s VAL 54 CO 0.04 0.34 0.49 -0.89 -3.33 0.00 0.00 175.10 171.75 2k5t s THR 55 N 1.52 4.89 0.00 5.04 2.01 0.15 0.01 115.64 129.27 2k5t s THR 55 Ca 0.01 0.99 0.05 0.00 0.31 0.00 0.00 61.69 63.06 2k5t s THR 55 Cb -0.13 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 2k5t s THR 55 CO -0.05 0.54 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.48 2k5t s LEU 56 N -1.18 2.07 -0.40 4.42 1.43 0.12 0.40 118.68 125.54 2k5t s LEU 56 Ca 0.27 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 2k5t s LEU 56 Cb -0.18 -0.85 0.16 0.00 0.03 0.00 0.00 46.19 45.36 2k5t s LEU 56 CO 0.16 0.18 0.37 -0.44 0.23 0.00 0.00 176.35 176.85 2k5t s SER 57 N -0.61 1.34 1.59 2.29 0.01 0.14 -4.49 113.70 113.97 2k5t s SER 57 Ca 0.06 -2.38 0.00 0.00 1.31 0.00 0.00 55.95 54.94 2k5t s SER 57 Cb -0.07 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.24 2k5t s SER 57 CO -0.00 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2k5t n GLY 58 N 3.43 1.49 0.98 3.44 0.00 -1.26 -1.42 105.19 111.85 2k5t n GLY 58 Ca 0.20 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.47 2k5t n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k5t n THR 59 N 0.00 0.27 -4.22 2.61 -2.24 -1.26 -4.76 114.28 104.68 2k5t n THR 59 Ca 0.00 -0.59 -0.29 0.00 -2.27 0.00 0.00 64.05 60.90 2k5t n THR 59 Cb 0.00 1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 69.18 2k5t n THR 59 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2k5t s GLU 60 N -1.73 2.22 0.06 -0.78 2.02 -0.51 -0.38 118.70 119.60 2k5t s GLU 60 Ca 0.35 -1.05 -0.06 0.00 0.02 0.00 0.00 54.97 54.23 2k5t s GLU 60 Cb 0.21 -2.32 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 2k5t s GLU 60 CO 0.31 0.49 0.10 0.20 0.02 0.00 0.00 175.26 176.38 2k5t s GLY 61 N -2.44 0.22 -0.07 -1.39 0.00 0.03 0.24 107.32 103.91 2k5t s GLY 61 Ca 0.23 -0.75 -0.00 0.00 0.00 0.00 0.00 44.72 44.20 2k5t s GLY 61 CO 0.15 -0.90 -0.02 0.00 0.00 0.00 0.00 173.10 172.33 2k5t s ALA 62 N -3.45 0.77 -0.29 3.20 0.00 0.16 0.28 121.76 122.43 2k5t s ALA 62 Ca 0.02 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.66 2k5t s ALA 62 Cb 0.04 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 2k5t s ALA 62 CO -0.09 -0.30 0.47 -0.51 0.00 0.00 0.00 175.76 175.33 2k5t s LEU 63 N 1.57 4.15 -0.04 0.00 1.43 0.14 0.32 118.68 126.24 2k5t s LEU 63 Ca -0.01 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 2k5t s LEU 63 Cb -0.13 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.53 2k5t s LEU 63 CO -0.04 -0.32 -0.12 -0.62 0.23 0.00 0.00 176.35 175.48 2k5t s ASP 64 N 1.65 1.61 -0.13 2.29 -1.08 0.35 -2.05 116.67 119.31 2k5t s ASP 64 Ca 0.18 -0.26 -0.09 0.00 -0.52 0.00 0.00 52.55 51.86 2k5t s ASP 64 Cb -0.16 -0.56 0.03 0.00 -1.46 0.00 0.00 42.92 40.78 2k5t s ASP 64 CO 0.11 0.07 0.18 -1.20 0.52 0.00 0.00 175.17 174.85 2k5t n SER 65 N 3.47 -1.22 -3.86 -0.34 7.64 -1.26 -1.77 113.62 116.28 2k5t n SER 65 Ca -0.20 1.05 -0.25 0.00 1.01 0.00 0.00 58.87 60.49 2k5t n SER 65 Cb 0.53 -4.24 -0.17 0.00 -1.01 0.00 0.00 64.21 59.32 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 -0.50 0.98 -0.07 -3.43 2.96 -1.26 -2.40 118.68 114.96 2k5t s LEU 66 Ca -0.21 -0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 53.47 2k5t s LEU 66 Cb 0.01 -0.65 0.04 0.00 0.50 0.00 0.00 46.19 46.09 2k5t s LEU 66 CO 0.56 -0.14 0.16 -0.60 -1.32 0.00 0.00 176.35 175.01 2k5t s ARG 67 N 1.69 0.12 0.33 1.98 3.52 -0.97 -5.04 118.95 120.57 2k5t s ARG 67 Ca 0.03 0.37 0.08 0.00 -0.13 0.00 0.00 55.73 56.08 2k5t s ARG 67 Cb -0.13 -0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.09 2k5t s ARG 67 CO -0.06 -0.15 0.17 0.08 -0.81 0.00 0.00 175.30 174.54 2k5t s VAL 68 N 1.03 3.29 0.25 7.11 1.01 -1.26 -1.96 120.40 129.87 2k5t s VAL 68 Ca -0.08 -1.61 -0.31 0.00 0.00 0.00 0.00 61.98 59.98 2k5t s VAL 68 Cb -0.10 -3.05 -0.13 0.00 0.00 0.00 0.00 36.38 33.10 2k5t s VAL 68 CO -0.05 -0.21 1.39 0.54 0.00 0.00 0.00 175.10 176.76 2k5t n ARG 69 N -1.18 2.02 0.27 2.72 3.00 -0.79 -4.86 116.66 117.84 2k5t n ARG 69 Ca -0.03 0.72 0.12 0.00 -0.01 0.00 0.00 57.85 58.64 2k5t n ARG 69 Cb 0.60 -2.36 0.74 0.00 0.00 0.00 0.00 32.46 31.44 2k5t n ARG 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2k5t h GLU 70 N 4.02 0.00 0.00 5.56 5.08 -1.98 0.45 114.58 127.71 2k5t h GLU 70 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2k5t h GLU 70 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2k5t h GLU 70 CO 0.74 0.08 0.00 1.55 -1.00 0.00 0.00 179.01 180.38 2k5t n VAL 71 N -3.94 0.63 -2.23 3.13 3.14 -1.26 -4.30 118.33 113.51 2k5t n VAL 71 Ca -0.02 -0.17 -0.41 0.00 -2.96 0.00 0.00 64.34 60.78 2k5t n VAL 71 Cb 0.17 -0.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 2k5t n VAL 71 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2k5t n THR 72 N -2.24 5.01 -3.54 1.55 -1.04 0.15 -4.83 114.28 109.34 2k5t n THR 72 Ca 0.05 -4.60 -0.41 0.00 -2.04 0.00 0.00 64.05 57.05 2k5t n THR 72 Cb 0.38 -2.13 -0.07 0.00 -1.82 0.00 0.00 70.33 66.70 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 -1.00 2.95 0.00 -2.82 0.52 -1.26 -4.81 118.95 112.53 2k5t s ARG 73 Ca 0.46 -2.40 0.00 0.00 -0.52 0.00 0.00 55.73 53.27 2k5t s ARG 73 Cb 0.14 -4.03 0.00 0.00 0.52 0.00 0.00 34.95 31.59 2k5t s ARG 73 CO -0.05 -1.22 0.01 -2.13 0.02 0.00 0.00 175.30 171.93 2k5t n ARG 74 N 3.87 2.73 -2.17 3.54 0.63 -1.26 -5.09 116.66 118.91 2k5t n ARG 74 Ca 0.08 -0.01 -0.01 0.00 -0.92 0.00 0.00 57.85 56.99 2k5t n ARG 74 Cb 0.42 -0.24 0.00 0.00 0.45 0.00 0.00 32.46 33.09 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 -0.39 -1.82 0.00 -0.14 1.74 -1.26 -4.89 116.66 109.90 2k5t n ARG 75 Ca 0.00 1.70 0.00 0.00 -0.77 0.00 0.00 57.85 58.78 2k5t n ARG 75 Cb 0.01 -3.46 0.00 0.00 -1.02 0.00 0.00 32.46 27.99 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 0.26 3.51 0.30 -0.13 0.00 -1.26 -5.01 105.19 102.86 2k5t n GLY 76 Ca 0.01 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 0.37 -0.70 1.61 2.07 -1.92 0.69 116.25 118.37 2k5t h VAL 77 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2k5t h VAL 77 Cb 0.00 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2k5t h VAL 77 CO 0.00 0.00 0.27 1.23 0.02 0.00 0.00 177.57 179.09 2k5t h GLY 78 N -0.41 1.11 0.89 2.17 0.00 -1.95 -0.30 103.07 104.57 2k5t h GLY 78 Ca 0.07 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 2k5t h GLY 78 CO -0.26 0.56 -0.10 -1.61 0.00 0.00 0.00 176.54 175.13 2k5t h GLN 79 N 1.01 -0.28 -0.32 4.80 4.15 -1.75 -2.76 115.11 119.96 2k5t h GLN 79 Ca 0.23 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.64 2k5t h GLN 79 Cb 0.21 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 2k5t h GLN 79 CO -0.02 -0.10 0.08 -0.92 -1.93 0.00 0.00 178.83 175.94 2k5t h TYR 80 N -0.41 0.46 0.26 3.99 3.20 0.51 -0.30 116.97 124.68 2k5t h TYR 80 Ca -0.03 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.82 2k5t h TYR 80 Cb 0.31 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 2k5t h TYR 80 CO -0.03 0.41 -0.41 1.25 -1.64 0.00 0.00 178.16 177.74 2k5t h LEU 81 N 0.46 -1.17 -0.59 2.82 5.85 -0.88 0.31 115.31 122.10 2k5t h LEU 81 Ca 0.11 0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 2k5t h LEU 81 Cb 0.18 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2k5t h LEU 81 CO -0.00 -0.52 0.10 -0.07 -0.34 0.00 0.00 178.44 177.61 2k5t h LEU 82 N -0.74 0.93 -0.53 2.25 3.38 -1.19 -1.80 115.31 117.61 2k5t h LEU 82 Ca -0.01 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.79 2k5t h LEU 82 Cb 0.71 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 2k5t h LEU 82 CO -0.16 0.95 0.17 -0.33 0.09 0.00 0.00 178.44 179.16 2k5t h GLU 83 N 0.87 0.33 -0.43 1.13 4.39 -0.80 0.20 114.58 120.27 2k5t h GLU 83 Ca 0.18 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 2k5t h GLU 83 Cb 0.41 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2k5t h GLU 83 CO 0.01 0.22 -0.09 1.49 -1.16 0.00 0.00 179.01 179.48 2k5t h GLU 84 N 0.34 0.74 -0.22 2.33 4.57 -0.10 -1.34 114.58 120.90 2k5t h GLU 84 Ca 0.26 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2k5t h GLU 84 Cb 0.31 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2k5t h GLU 84 CO -0.28 0.81 0.00 0.28 -1.18 0.00 0.00 179.01 178.64 2k5t h VAL 85 N 0.68 1.25 0.00 0.32 2.07 -0.45 -0.90 116.25 119.22 2k5t h VAL 85 Ca 0.12 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 2k5t h VAL 85 Cb 0.55 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2k5t h VAL 85 CO 0.03 0.27 -0.08 -0.07 0.02 0.00 0.00 177.57 177.74 2k5t h LEU 86 N 0.16 0.00 0.00 2.57 4.07 -0.40 0.20 115.31 121.91 2k5t h LEU 86 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2k5t h LEU 86 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 2k5t h LEU 86 CO 0.01 0.08 -0.73 0.03 -1.08 0.00 0.00 178.44 176.76 2k5t h ARG 87 N 0.00 0.00 0.17 1.13 3.08 -1.01 -3.17 114.38 114.58 2k5t h ARG 87 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 2k5t h ARG 87 Cb 0.35 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.42 2k5t h ARG 87 CO 0.01 0.00 -1.23 -0.97 -1.07 0.00 0.00 179.97 176.71 2k5t h ASN 88 N 0.00 0.58 -2.86 7.04 -0.73 0.35 -3.40 115.58 116.56 2k5t h ASN 88 Ca 0.00 -0.92 -0.63 0.00 1.87 0.00 0.00 56.30 56.62 2k5t h ASN 88 Cb 0.79 -0.19 -0.41 0.00 0.27 0.00 0.00 38.32 38.78 2k5t h ASN 88 CO 0.00 1.58 -0.47 0.59 -0.37 0.00 0.00 177.43 178.76 2k5t n ASN 89 N -3.91 3.51 0.09 1.15 5.03 -0.11 -4.89 115.26 116.12 2k5t n ASN 89 Ca -0.18 -3.28 0.13 0.00 0.87 0.00 0.00 54.58 52.12 2k5t n ASN 89 Cb 0.95 -0.79 0.45 0.00 -1.02 0.00 0.00 39.78 39.37 2k5t n ASN 89 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2k5t n PRO 90 N 1.67 0.21 0.28 3.52 -0.02 -1.20 -3.18 135.00 136.28 2k5t n PRO 90 Ca 0.23 0.20 0.17 0.00 -2.02 0.00 0.00 63.50 62.08 2k5t n PRO 90 Cb 0.37 -1.76 0.78 0.00 -0.02 0.00 0.00 33.50 32.87 2k5t n PRO 90 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2k5t h GLY 91 N 4.38 0.00 -6.99 -1.23 0.00 -1.90 -3.40 103.07 93.93 2k5t h GLY 91 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 2k5t h GLY 91 CO 0.00 0.00 1.09 0.14 0.00 0.00 0.00 176.54 177.77 2k5t s VAL 92 N -3.82 3.83 -0.86 4.60 1.01 -1.19 -4.66 120.40 119.30 2k5t s VAL 92 Ca -0.01 0.76 0.24 0.00 0.00 0.00 0.00 61.98 62.97 2k5t s VAL 92 Cb 0.10 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 2k5t s VAL 92 CO 0.53 -1.05 1.31 -1.20 0.00 0.00 0.00 175.10 174.69 2k5t n SER 93 N 9.34 0.58 -3.72 3.32 7.64 0.49 -4.63 113.62 126.64 2k5t n SER 93 Ca 0.14 -0.20 -0.30 0.00 1.01 0.00 0.00 58.87 59.52 2k5t n SER 93 Cb 0.49 0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 63.91 2k5t n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k5t s TRP 95 N 1.09 2.99 -0.16 0.00 0.52 0.07 -0.79 118.94 122.65 2k5t s TRP 95 Ca 0.13 -0.23 -0.12 0.00 0.02 0.00 0.00 56.10 55.90 2k5t s TRP 95 Cb -0.20 -3.60 -0.05 0.00 -1.15 0.00 0.00 33.47 28.47 2k5t s TRP 95 CO -0.13 -1.05 0.24 -0.46 0.02 0.00 0.00 176.95 175.57 2k5t s TRP 96 N 3.02 3.46 -0.11 -1.98 -0.11 0.14 0.32 118.94 123.69 2k5t s TRP 96 Ca 0.22 0.52 0.01 0.00 1.22 0.00 0.00 56.10 58.07 2k5t s TRP 96 Cb -0.16 -2.26 -0.02 0.00 -1.50 0.00 0.00 33.47 29.54 2k5t s TRP 96 CO 0.16 0.30 -0.14 -1.64 -4.62 0.00 0.00 176.95 171.01 2k5t s MET 97 N 0.30 3.20 0.34 5.86 -1.94 0.10 0.23 119.30 127.39 2k5t s MET 97 Ca 0.14 -0.70 0.07 0.00 -1.71 0.00 0.00 55.69 53.49 2k5t s MET 97 Cb -0.12 -2.56 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 2k5t s MET 97 CO 0.02 0.29 0.31 0.00 -0.01 0.00 0.00 175.02 175.63 2k5t s ALA 98 N 0.15 3.88 -0.91 3.03 0.00 -0.87 -1.53 121.76 125.52 2k5t s ALA 98 Ca -0.07 -1.66 -0.01 0.00 0.00 0.00 0.00 51.96 50.22 2k5t s ALA 98 Cb -0.15 -1.19 0.27 0.00 0.00 0.00 0.00 23.12 22.04 2k5t s ALA 98 CO 0.05 -0.01 1.05 -3.47 0.00 0.00 0.00 175.76 173.38 2k5t n ASP 99 N -1.40 4.99 -4.41 0.00 2.03 -1.26 -4.79 116.55 111.70 2k5t n ASP 99 Ca -0.01 -3.32 -0.39 0.00 0.52 0.00 0.00 54.79 51.59 2k5t n ASP 99 Cb 0.60 -1.05 -0.12 0.00 -0.72 0.00 0.00 41.12 39.84 2k5t n ASP 99 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5t s ALA 100 N -2.21 3.26 0.00 -1.67 0.00 -1.26 -4.47 121.76 115.41 2k5t s ALA 100 Ca 0.33 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2k5t s ALA 100 Cb 0.03 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2k5t s ALA 100 CO -0.01 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.09 2k5t n GLY 101 N 4.97 0.88 3.57 0.00 0.00 -1.26 -4.48 105.19 108.87 2k5t n GLY 101 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.59 5.30 -0.16 1.61 1.01 -1.26 -4.91 120.40 118.40 2k5t s VAL 102 Ca 0.00 0.03 0.22 0.00 0.00 0.00 0.00 61.98 62.22 2k5t s VAL 102 Cb 0.00 -3.60 -0.12 0.00 0.00 0.00 0.00 36.38 32.66 2k5t s VAL 102 CO 0.00 0.15 0.84 -0.62 0.00 0.00 0.00 175.10 175.47 2k5t n GLU 103 N 5.08 0.62 -0.84 2.72 1.02 -1.26 -4.24 120.64 123.74 2k5t n GLU 103 Ca -0.13 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 56.91 2k5t n GLU 103 Cb 0.51 -1.73 0.01 0.00 -0.02 0.00 0.00 31.44 30.21 2k5t n GLU 103 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k5t n ASP 104 N -2.57 6.13 -0.26 1.62 8.00 -1.26 -4.57 116.55 123.65 2k5t n ASP 104 Ca -0.02 -2.88 0.04 0.00 0.71 0.00 0.00 54.79 52.63 2k5t n ASP 104 Cb 0.59 -1.11 0.17 0.00 -0.02 0.00 0.00 41.12 40.75 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 1.54 0.53 -0.43 -1.24 2.43 -1.99 -0.03 114.38 115.19 2k5t h ARG 105 Ca 0.22 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 2k5t h ARG 105 Cb 0.95 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.34 2k5t h ARG 105 CO 0.55 0.35 0.21 0.78 -1.51 0.00 0.00 179.97 180.35 2k5t h GLY 106 N 0.55 0.58 0.91 2.80 0.00 -1.96 0.44 103.07 106.39 2k5t h GLY 106 Ca 0.40 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 2k5t h GLY 106 CO -0.34 0.10 0.08 -2.08 0.00 0.00 0.00 176.54 174.30 2k5t h VAL 107 N 0.42 1.22 0.00 4.60 2.07 -1.69 -2.62 116.25 120.26 2k5t h VAL 107 Ca 0.18 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 2k5t h VAL 107 Cb 0.10 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2k5t h VAL 107 CO -0.13 0.25 -0.32 -0.03 0.02 0.00 0.00 177.57 177.35 2k5t h MET 108 N 0.40 0.00 -0.42 1.57 1.85 -0.64 -1.97 114.93 115.72 2k5t h MET 108 Ca 0.11 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.19 2k5t h MET 108 Cb 0.30 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.31 2k5t h MET 108 CO 0.00 0.32 0.23 1.15 -0.40 0.00 0.00 176.91 178.21 2k5t h THR 109 N 0.00 1.16 -0.82 -0.77 2.02 0.21 0.17 112.91 114.87 2k5t h THR 109 Ca -0.00 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 2k5t h THR 109 Cb 0.60 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 2k5t h THR 109 CO 0.04 0.16 0.41 0.00 0.37 0.00 0.00 175.52 176.51 2k5t h ALA 110 N 1.08 1.18 -0.09 6.16 0.00 -1.08 0.66 119.26 127.17 2k5t h ALA 110 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k5t h ALA 110 Cb 0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2k5t h ALA 110 CO -0.02 0.64 0.06 0.35 0.00 0.00 0.00 179.25 180.27 2k5t h PHE 111 N 1.17 0.12 -0.30 0.00 3.57 -0.85 -0.32 116.94 120.32 2k5t h PHE 111 Ca 0.29 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.69 2k5t h PHE 111 Cb 0.09 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2k5t h PHE 111 CO 0.01 0.10 -0.20 0.52 -2.23 0.00 0.00 178.31 176.51 2k5t h MET 112 N 0.10 0.56 0.00 1.11 2.86 -0.31 -1.01 114.93 118.24 2k5t h MET 112 Ca 0.03 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 2k5t h MET 112 Cb 0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2k5t h MET 112 CO -0.01 0.73 -0.32 1.96 1.06 0.00 0.00 176.91 180.34 2k5t h GLN 113 N 0.50 0.00 0.03 1.72 4.20 -0.69 0.26 115.11 121.13 2k5t h GLN 113 Ca 0.08 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.52 2k5t h GLN 113 Cb 0.62 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.42 2k5t h GLN 113 CO 0.04 0.32 -1.07 0.00 -0.67 0.00 0.00 178.83 177.45 2k5t h ALA 114 N 1.68 0.15 -0.01 3.87 0.00 -0.40 -3.33 119.26 121.22 2k5t h ALA 114 Ca -0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 2k5t h ALA 114 Cb 0.81 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2k5t h ALA 114 CO 0.04 0.72 -0.02 1.25 0.00 0.00 0.00 179.25 181.24 2k5t h LEU 115 N 0.33 0.04 0.00 0.00 6.46 -0.97 -3.48 115.31 117.69 2k5t h LEU 115 Ca -0.13 -0.53 0.00 0.00 -0.12 0.00 0.00 57.88 57.09 2k5t h LEU 115 Cb 1.73 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.64 2k5t h LEU 115 CO 0.20 0.57 0.00 0.61 -0.62 0.00 0.00 178.44 179.20 2k5t n GLY 116 N 0.35 0.27 3.64 3.75 0.00 0.60 -5.10 105.19 108.70 2k5t n GLY 116 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.12 2.89 0.03 1.61 0.08 0.50 -4.91 117.98 118.07 2k5t s PHE 117 Ca 0.00 -0.07 -0.11 0.00 0.12 0.00 0.00 56.93 56.87 2k5t s PHE 117 Cb 0.00 -1.51 -0.05 0.00 -0.57 0.00 0.00 43.02 40.88 2k5t s PHE 117 CO 0.00 0.45 0.37 0.99 -0.10 0.00 0.00 175.22 176.93 2k5t s THR 118 N -1.24 5.13 -0.25 0.64 2.01 -0.14 -4.40 115.64 117.38 2k5t s THR 118 Ca 0.23 0.53 -0.13 0.00 0.31 0.00 0.00 61.69 62.63 2k5t s THR 118 Cb -0.11 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2k5t s THR 118 CO 0.15 0.41 0.28 0.42 -0.69 0.00 0.00 174.62 175.20 2k5t s THR 119 N -1.26 5.26 0.08 -0.82 -4.23 -1.26 -0.13 115.64 113.27 2k5t s THR 119 Ca 0.28 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 2k5t s THR 119 Cb -0.15 -3.62 -0.00 0.00 1.34 0.00 0.00 72.50 70.08 2k5t s THR 119 CO 0.15 0.25 0.00 0.00 -0.54 0.00 0.00 174.62 174.48 2k5t n GLN 120 N 4.81 1.80 -2.73 3.99 6.02 -0.45 -4.97 117.38 125.85 2k5t n GLN 120 Ca -0.11 -0.57 -0.42 0.00 -0.01 0.00 0.00 57.00 55.88 2k5t n GLN 120 Cb 0.51 0.15 -0.03 0.00 1.02 0.00 0.00 30.24 31.90 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 -2.28 3.41 0.00 -1.09 0.74 -1.26 -3.77 119.66 115.41 2k5t s GLN 121 Ca 0.00 -1.07 0.00 0.00 0.05 0.00 0.00 55.36 54.34 2k5t s GLN 121 Cb 0.00 -4.77 0.00 0.00 1.10 0.00 0.00 33.01 29.34 2k5t s GLN 121 CO 0.00 -1.99 0.00 0.41 -0.55 0.00 0.00 175.29 173.16 2k5t n GLY 122 N 5.88 3.94 0.00 2.59 0.00 -1.26 -5.08 105.19 111.26 2k5t n GLY 122 Ca 0.17 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 2.34 3.65 -0.02 0.00 -1.25 -4.58 105.19 105.33 2k5t n GLY 123 Ca 0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.51 3.05 -0.08 1.61 0.51 -0.58 -1.34 118.94 120.60 2k5t s TRP 124 Ca 0.00 0.09 0.05 0.00 -2.12 0.00 0.00 56.10 54.12 2k5t s TRP 124 Cb 0.00 -1.72 -0.00 0.00 -0.81 0.00 0.00 33.47 30.94 2k5t s TRP 124 CO 0.00 0.42 -0.24 -2.00 -0.51 0.00 0.00 176.95 174.62 2k5t s GLU 125 N -1.11 2.79 -0.61 4.98 2.12 0.81 0.03 118.70 127.71 2k5t s GLU 125 Ca 0.15 -0.88 0.04 0.00 0.36 0.00 0.00 54.97 54.64 2k5t s GLU 125 Cb -0.11 -2.22 0.15 0.00 0.26 0.00 0.00 34.13 32.21 2k5t s GLU 125 CO 0.05 0.27 0.38 0.21 -0.54 0.00 0.00 175.26 175.64 2k5t s LYS 126 N 0.11 2.26 -0.13 4.30 2.47 0.15 -0.97 119.74 127.93 2k5t s LYS 126 Ca -0.12 -2.93 -0.09 0.00 -1.56 0.00 0.00 55.97 51.27 2k5t s LYS 126 Cb -0.16 -3.42 -0.04 0.00 -1.46 0.00 0.00 37.83 32.75 2k5t s LYS 126 CO 0.06 -1.19 0.18 0.00 0.16 0.00 0.00 175.35 174.57