#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 3.91 -0.52 0.03 2.20 -1.26 -4.84 119.74 119.25 2k5t s LYS 2 Ca 0.00 0.39 -0.28 0.00 -0.36 0.00 0.00 55.97 55.72 2k5t s LYS 2 Cb 0.00 -3.13 0.01 0.00 -1.51 0.00 0.00 37.83 33.21 2k5t s LYS 2 CO 0.00 0.63 1.42 -1.17 -0.36 0.00 0.00 175.35 175.86 2k5t s LEU 3 N -1.41 3.45 -0.40 5.43 2.96 -1.26 -2.48 118.68 124.97 2k5t s LEU 3 Ca 0.28 0.42 -0.17 0.00 -0.22 0.00 0.00 54.13 54.44 2k5t s LEU 3 Cb -0.16 -3.17 0.01 0.00 0.50 0.00 0.00 46.19 43.37 2k5t s LEU 3 CO 0.16 -1.65 0.43 -0.89 -1.32 0.00 0.00 176.35 173.08 2k5t s THR 4 N 5.93 5.10 -0.10 3.68 2.01 0.10 -4.89 115.64 127.48 2k5t s THR 4 Ca 0.55 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.36 2k5t s THR 4 Cb -0.11 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.41 2k5t s THR 4 CO 0.27 -0.34 -0.21 -0.51 -0.69 0.00 0.00 174.62 173.14 2k5t s ILE 5 N 2.13 1.85 0.23 1.82 2.07 -1.26 -0.51 121.20 127.53 2k5t s ILE 5 Ca 0.12 -0.89 0.01 0.00 -1.41 0.00 0.00 60.65 58.49 2k5t s ILE 5 Cb -0.17 -1.61 -0.05 0.00 0.13 0.00 0.00 42.46 40.76 2k5t s ILE 5 CO 0.13 0.51 0.06 0.27 -1.91 0.00 0.00 174.94 174.01 2k5t s ILE 6 N 0.48 0.61 -0.07 2.00 -0.00 -0.89 -4.93 121.20 118.40 2k5t s ILE 6 Ca -0.17 -2.00 -0.30 0.00 -0.00 0.00 0.00 60.65 58.19 2k5t s ILE 6 Cb -0.17 -2.47 -0.03 0.00 -0.00 0.00 0.00 42.46 39.78 2k5t s ILE 6 CO 0.07 -0.15 1.23 0.00 -0.00 0.00 0.00 174.94 176.08 2k5t s ARG 7 N -3.99 4.33 -1.22 0.37 1.70 -1.26 -0.65 118.95 118.22 2k5t s ARG 7 Ca 0.33 1.69 -0.13 0.00 -0.47 0.00 0.00 55.73 57.16 2k5t s ARG 7 Cb 0.07 -3.59 0.17 0.00 -0.57 0.00 0.00 34.95 31.03 2k5t s ARG 7 CO 0.11 -0.50 1.50 -0.11 -1.08 0.00 0.00 175.30 175.22 2k5t n LEU 8 N 5.45 5.45 0.05 -1.89 7.94 0.42 -4.67 117.00 129.75 2k5t n LEU 8 Ca 0.12 -4.51 -0.22 0.00 -1.11 0.00 0.00 56.01 50.28 2k5t n LEU 8 Cb 0.46 -1.59 -0.14 0.00 0.53 0.00 0.00 43.42 42.67 2k5t n LEU 8 CO 0.56 0.85 -0.58 -0.08 -1.11 0.00 0.00 177.39 177.02 2k5t h GLU 9 N 6.89 0.34 -5.00 1.96 4.81 -1.92 -3.44 114.58 118.22 2k5t h GLU 9 Ca 0.33 -0.59 -0.64 0.00 -0.13 0.00 0.00 59.36 58.33 2k5t h GLU 9 Cb 0.83 0.22 -0.19 0.00 0.63 0.00 0.00 28.75 30.24 2k5t h GLU 9 CO 1.30 1.28 -0.57 0.15 -0.73 0.00 0.00 179.01 180.44 2k5t s LYS 10 N -2.56 3.85 -0.36 1.92 1.02 -1.26 -4.96 119.74 117.39 2k5t s LYS 10 Ca -0.18 -0.38 -0.10 0.00 0.02 0.00 0.00 55.97 55.33 2k5t s LYS 10 Cb 0.05 -3.44 0.03 0.00 -0.52 0.00 0.00 37.83 33.95 2k5t s LYS 10 CO 0.82 -0.08 0.18 -0.06 -0.92 0.00 0.00 175.35 175.29 2k5t s PHE 11 N 1.40 3.24 0.78 3.18 0.40 -1.26 -5.06 117.98 120.67 2k5t s PHE 11 Ca 0.06 -1.06 -0.12 0.00 -0.60 0.00 0.00 56.93 55.22 2k5t s PHE 11 Cb -0.15 -2.40 0.07 0.00 0.51 0.00 0.00 43.02 41.05 2k5t s PHE 11 CO 0.06 -0.66 1.16 -1.12 0.70 0.00 0.00 175.22 175.35 2k5t s SER 12 N 1.52 4.70 0.14 1.36 0.01 -1.26 -4.90 113.70 115.26 2k5t s SER 12 Ca 0.01 0.83 -0.17 0.00 1.31 0.00 0.00 55.95 57.94 2k5t s SER 12 Cb -0.19 -1.39 -0.00 0.00 0.21 0.00 0.00 66.02 64.65 2k5t s SER 12 CO 0.06 -1.79 1.76 -0.78 0.41 0.00 0.00 173.24 172.91 2k5t h ASP 13 N -0.96 0.46 -0.11 2.44 1.82 -2.00 -1.56 116.42 116.51 2k5t h ASP 13 Ca -0.46 -0.06 -0.09 0.00 -0.39 0.00 0.00 57.03 56.03 2k5t h ASP 13 Cb 1.31 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.19 2k5t h ASP 13 CO 0.65 0.39 -0.20 1.56 -1.61 0.00 0.00 179.24 180.03 2k5t h GLN 14 N 0.49 0.52 -0.49 0.28 4.20 -1.99 -1.79 115.11 116.33 2k5t h GLN 14 Ca 0.13 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 2k5t h GLN 14 Cb 0.02 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2k5t h GLN 14 CO -0.02 0.69 0.19 -0.44 -0.67 0.00 0.00 178.83 178.58 2k5t h ASP 15 N 0.47 0.63 -0.19 1.46 5.19 -1.82 0.13 116.42 122.30 2k5t h ASP 15 Ca 0.08 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 2k5t h ASP 15 Cb 0.61 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 2k5t h ASP 15 CO 0.04 0.58 0.01 0.03 -3.12 0.00 0.00 179.24 176.78 2k5t h ARG 16 N 0.69 0.32 -0.40 3.56 3.08 -0.70 -2.79 114.38 118.15 2k5t h ARG 16 Ca 0.17 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.19 2k5t h ARG 16 Cb 0.15 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 2k5t h ARG 16 CO -0.02 0.52 0.04 0.82 -1.07 0.00 0.00 179.97 180.26 2k5t h ILE 17 N 0.08 0.75 0.32 2.04 2.04 -0.61 0.19 117.51 122.32 2k5t h ILE 17 Ca 0.05 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2k5t h ILE 17 Cb 0.37 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2k5t h ILE 17 CO 0.01 0.03 -0.42 0.44 0.00 0.00 0.00 178.15 178.21 2k5t h ASP 18 N 0.15 -1.17 -0.72 1.72 3.32 -0.97 0.45 116.42 119.21 2k5t h ASP 18 Ca 0.19 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 2k5t h ASP 18 Cb 0.25 0.41 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 2k5t h ASP 18 CO -0.29 -0.54 0.30 -0.07 -1.72 0.00 0.00 179.24 176.92 2k5t h LEU 19 N -0.79 0.98 -0.05 1.55 3.38 -1.24 0.03 115.31 119.16 2k5t h LEU 19 Ca -0.02 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2k5t h LEU 19 Cb 0.73 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2k5t h LEU 19 CO -0.12 0.88 0.00 1.67 0.09 0.00 0.00 178.44 180.95 2k5t n GLN 20 N -4.37 0.03 -0.05 1.13 7.27 0.63 -1.67 117.38 120.35 2k5t n GLN 20 Ca 0.06 0.19 0.00 0.00 0.07 0.00 0.00 57.00 57.32 2k5t n GLN 20 Cb 0.17 -1.54 -0.16 0.00 2.41 0.00 0.00 30.24 31.12 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 -1.59 0.67 -0.13 3.69 4.81 0.13 -4.23 118.16 121.51 2k5t n LYS 21 Ca 0.05 -0.09 -0.10 0.00 -0.87 0.00 0.00 58.31 57.30 2k5t n LYS 21 Cb 0.24 -1.53 -0.01 0.00 0.02 0.00 0.00 35.03 33.74 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 1.24 -3.46 3.15 2.04 -0.22 -3.39 117.51 116.87 2k5t h ILE 22 Ca -0.27 -0.84 -0.61 0.00 1.00 0.00 0.00 64.86 64.14 2k5t h ILE 22 Cb 1.63 1.03 -0.11 0.00 -0.74 0.00 0.00 36.82 38.63 2k5t h ILE 22 CO 0.02 0.29 0.31 0.26 0.00 0.00 0.00 178.15 179.02 2k5t s TRP 23 N -5.22 3.21 0.23 1.37 0.51 -0.67 -4.97 118.94 113.41 2k5t s TRP 23 Ca -0.13 0.75 -0.07 0.00 -2.12 0.00 0.00 56.10 54.54 2k5t s TRP 23 Cb 0.10 -3.12 0.39 0.00 -0.81 0.00 0.00 33.47 30.02 2k5t s TRP 23 CO 0.77 -0.52 1.71 -1.35 -0.51 0.00 0.00 176.95 177.06 2k5t h PRO 24 N 8.11 0.33 -2.04 4.98 0.11 -1.82 -3.36 132.00 138.32 2k5t h PRO 24 Ca -0.25 -0.02 -0.37 0.00 0.11 0.00 0.00 66.00 65.47 2k5t h PRO 24 Cb 1.10 -0.07 -0.32 0.00 0.11 0.00 0.00 31.00 31.82 2k5t h PRO 24 CO 0.85 0.22 -0.69 -2.00 -0.21 0.00 0.00 178.00 176.17 2k5t s GLU 25 N -6.06 0.56 -0.20 1.05 2.12 -1.26 -4.98 118.70 109.93 2k5t s GLU 25 Ca -0.13 -0.73 -0.15 0.00 0.36 0.00 0.00 54.97 54.32 2k5t s GLU 25 Cb 0.19 -0.75 0.06 0.00 0.26 0.00 0.00 34.13 33.89 2k5t s GLU 25 CO 0.75 -1.16 0.51 -0.47 -0.54 0.00 0.00 175.26 174.35 2k5t s TYR 26 N 1.61 -0.64 0.09 5.30 5.04 -1.26 -5.16 117.35 122.33 2k5t s TYR 26 Ca 0.15 1.46 -0.05 0.00 -2.44 0.00 0.00 57.07 56.19 2k5t s TYR 26 Cb -0.15 0.27 -0.05 0.00 0.35 0.00 0.00 41.96 42.38 2k5t s TYR 26 CO -0.10 -0.33 0.33 -1.54 -1.34 0.00 0.00 175.55 172.58 2k5t s SER 27 N 0.77 6.50 -0.60 4.32 1.04 -1.26 -4.89 113.70 119.58 2k5t s SER 27 Ca -0.04 0.57 -0.27 0.00 0.48 0.00 0.00 55.95 56.69 2k5t s SER 27 Cb -0.05 -2.09 -0.10 0.00 0.10 0.00 0.00 66.02 63.88 2k5t s SER 27 CO -0.06 0.13 2.48 -2.65 0.98 0.00 0.00 173.24 174.12 2k5t n PRO 28 N 0.49 0.82 0.04 4.02 -0.02 -1.26 -4.59 135.00 134.50 2k5t n PRO 28 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2k5t n PRO 28 Cb 0.52 -3.02 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 2k5t n PRO 28 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2k5t n SER 29 N 14.71 0.12 0.00 2.55 7.64 -1.26 -4.80 113.62 132.59 2k5t n SER 29 Ca 0.43 0.12 0.08 0.00 1.01 0.00 0.00 58.87 60.51 2k5t n SER 29 Cb 0.43 0.03 0.49 0.00 -1.01 0.00 0.00 64.21 64.15 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 -2.97 0.00 -0.12 6.43 3.41 -1.26 -3.67 113.62 115.44 2k5t n SER 30 Ca 0.00 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 2k5t n SER 30 Cb 0.14 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 2k5t n SER 30 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2k5t n LEU 31 N -0.76 0.27 -4.59 1.04 4.77 -1.26 -4.74 117.00 111.73 2k5t n LEU 31 Ca 0.12 -0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 2k5t n LEU 31 Cb 0.06 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 2k5t n LEU 31 CO 0.09 0.06 1.30 -1.58 -1.33 0.00 0.00 177.39 175.94 2k5t s GLN 32 N -1.83 3.39 -0.13 3.23 2.00 -1.24 -4.99 119.66 120.09 2k5t s GLN 32 Ca 0.01 0.80 -0.05 0.00 -2.00 0.00 0.00 55.36 54.13 2k5t s GLN 32 Cb 0.01 -4.10 -0.04 0.00 0.80 0.00 0.00 33.01 29.68 2k5t s GLN 32 CO 0.01 -1.80 0.05 0.14 -0.50 0.00 0.00 175.29 173.19 2k5t s VAL 33 N 6.05 4.73 0.00 1.34 -7.23 -1.26 -4.83 120.40 119.20 2k5t s VAL 33 Ca 0.61 -0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.70 2k5t s VAL 33 Cb -0.13 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.75 2k5t s VAL 33 CO 0.29 0.56 0.00 0.47 -0.31 0.00 0.00 175.10 176.11 2k5t n ASP 34 N 2.60 0.00 0.20 4.85 8.00 0.92 -5.00 116.55 128.11 2k5t n ASP 34 Ca -0.18 -0.17 0.12 0.00 0.71 0.00 0.00 54.79 55.26 2k5t n ASP 34 Cb 0.53 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.78 2k5t n ASP 34 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2k5t h ASP 35 N 0.00 0.00 0.00 -2.24 2.03 -1.98 -3.39 116.42 110.84 2k5t h ASP 35 Ca 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k5t h ASP 35 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k5t h ASP 35 CO 0.00 0.00 -0.15 0.59 -1.03 0.00 0.00 179.24 178.65 2k5t n ASN 36 N -3.01 0.34 -4.55 4.15 5.03 -1.26 -4.62 115.26 111.34 2k5t n ASN 36 Ca 0.03 0.16 -0.37 0.00 0.87 0.00 0.00 54.58 55.28 2k5t n ASN 36 Cb 0.53 -0.55 -0.03 0.00 -1.02 0.00 0.00 39.78 38.70 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 -1.30 1.87 -0.15 3.10 3.76 -1.26 0.24 115.29 121.55 2k5t s HIS 37 Ca -0.04 0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 55.33 2k5t s HIS 37 Cb 0.01 -4.23 -0.01 0.00 1.11 0.00 0.00 32.58 29.45 2k5t s HIS 37 CO 0.06 -2.13 -0.11 1.03 -0.85 0.00 0.00 174.74 172.75 2k5t s ARG 38 N 6.63 3.39 -0.28 1.40 0.52 0.58 -0.06 118.95 131.13 2k5t s ARG 38 Ca 0.60 -0.67 -0.10 0.00 -0.52 0.00 0.00 55.73 55.04 2k5t s ARG 38 Cb -0.10 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.61 2k5t s ARG 38 CO 0.13 0.12 0.16 0.42 0.02 0.00 0.00 175.30 176.15 2k5t s ILE 39 N 0.61 5.00 -0.16 1.52 1.01 -1.26 -0.63 121.20 127.29 2k5t s ILE 39 Ca -0.06 0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.50 2k5t s ILE 39 Cb -0.15 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 2k5t s ILE 39 CO 0.03 0.24 0.18 -0.31 0.00 0.00 0.00 174.94 175.08 2k5t s TYR 40 N 1.71 3.50 -0.31 3.97 2.02 0.08 -0.44 117.35 127.87 2k5t s TYR 40 Ca 0.07 0.49 -0.07 0.00 -0.37 0.00 0.00 57.07 57.18 2k5t s TYR 40 Cb -0.16 -2.14 0.02 0.00 -0.40 0.00 0.00 41.96 39.28 2k5t s TYR 40 CO 0.09 0.43 0.10 0.00 -1.57 0.00 0.00 175.55 174.60 2k5t s ALA 41 N -0.12 3.09 -0.40 3.71 0.00 0.17 -2.17 121.76 126.04 2k5t s ALA 41 Ca 0.13 -1.54 -0.16 0.00 0.00 0.00 0.00 51.96 50.39 2k5t s ALA 41 Cb -0.12 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.79 2k5t s ALA 41 CO 0.02 -1.06 0.36 0.00 0.00 0.00 0.00 175.76 175.08 2k5t s ALA 42 N 1.49 3.46 -0.13 0.00 0.00 -0.09 -2.09 121.76 124.41 2k5t s ALA 42 Ca 0.02 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.38 2k5t s ALA 42 Cb -0.18 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 2k5t s ALA 42 CO 0.03 -1.45 -0.02 -0.98 0.00 0.00 0.00 175.76 173.35 2k5t s ARG 43 N 1.90 3.40 -0.74 0.00 1.70 0.34 0.17 118.95 125.71 2k5t s ARG 43 Ca 0.09 -0.47 -0.16 0.00 -0.47 0.00 0.00 55.73 54.71 2k5t s ARG 43 Cb -0.18 -2.88 0.16 0.00 -0.57 0.00 0.00 34.95 31.49 2k5t s ARG 43 CO 0.12 0.43 0.76 0.12 -1.08 0.00 0.00 175.30 175.65 2k5t s PHE 44 N -0.15 3.39 0.00 5.89 5.36 -0.04 0.01 117.98 132.44 2k5t s PHE 44 Ca 0.04 -1.53 0.00 0.00 -0.96 0.00 0.00 56.93 54.48 2k5t s PHE 44 Cb -0.13 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 38.62 2k5t s PHE 44 CO 0.02 -1.14 0.00 -1.71 -1.46 0.00 0.00 175.22 170.93 2k5t n ASN 45 N 5.16 0.00 0.02 6.13 5.15 -1.03 -3.89 115.26 126.79 2k5t n ASN 45 Ca 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 2k5t n ASN 45 Cb 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 2k5t n ASN 45 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2k5t n GLU 46 N 0.00 0.00 -3.93 1.20 1.02 -1.26 -5.01 120.64 112.66 2k5t n GLU 46 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 2k5t n GLU 46 Cb 0.00 -0.06 -0.03 0.00 -0.02 0.00 0.00 31.44 31.32 2k5t n GLU 46 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2k5t s ARG 47 N -1.22 2.95 0.16 3.49 0.52 -1.25 -4.97 118.95 118.63 2k5t s ARG 47 Ca 0.00 -1.09 -0.32 0.00 -0.52 0.00 0.00 55.73 53.81 2k5t s ARG 47 Cb 0.00 -2.61 -0.11 0.00 0.52 0.00 0.00 34.95 32.75 2k5t s ARG 47 CO 0.00 0.27 1.79 1.28 0.02 0.00 0.00 175.30 178.66 2k5t n LEU 48 N -1.32 4.05 -0.02 2.53 4.77 -1.26 -0.87 117.00 124.88 2k5t n LEU 48 Ca -0.05 1.02 -0.02 0.00 -0.03 0.00 0.00 56.01 56.93 2k5t n LEU 48 Cb 0.58 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 2k5t n LEU 48 CO 0.43 0.19 -0.63 -0.11 -1.33 0.00 0.00 177.39 175.94 2k5t n LEU 49 N 4.90 0.00 -3.94 2.23 7.94 0.13 -4.84 117.00 123.41 2k5t n LEU 49 Ca 0.17 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.92 2k5t n LEU 49 Cb 0.36 0.10 -0.14 0.00 0.53 0.00 0.00 43.42 44.27 2k5t n LEU 49 CO 0.65 0.10 -0.40 0.00 -1.11 0.00 0.00 177.39 176.63 2k5t s ALA 50 N -2.11 0.37 -0.18 1.96 0.00 -0.19 0.28 121.76 121.89 2k5t s ALA 50 Ca -0.02 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.76 2k5t s ALA 50 Cb 0.01 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.07 2k5t s ALA 50 CO 0.17 0.09 -0.11 0.00 0.00 0.00 0.00 175.76 175.90 2k5t s ALA 51 N -0.08 1.92 -0.07 0.00 0.00 -0.83 -0.91 121.76 121.79 2k5t s ALA 51 Ca 0.01 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 50.94 2k5t s ALA 51 Cb -0.02 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.92 2k5t s ALA 51 CO -0.00 -0.65 -0.18 0.54 0.00 0.00 0.00 175.76 175.46 2k5t s VAL 52 N 1.44 1.58 -0.25 0.00 0.11 -0.92 -2.40 120.40 119.96 2k5t s VAL 52 Ca 0.01 -0.76 -0.07 0.00 -2.93 0.00 0.00 61.98 58.24 2k5t s VAL 52 Cb -0.15 -1.39 -0.02 0.00 -1.53 0.00 0.00 36.38 33.30 2k5t s VAL 52 CO -0.09 0.45 0.05 -0.13 -3.33 0.00 0.00 175.10 172.05 2k5t s ARG 53 N 0.38 3.49 -0.07 1.54 0.52 0.42 -0.75 118.95 124.49 2k5t s ARG 53 Ca -0.13 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 2k5t s ARG 53 Cb -0.16 -3.27 0.01 0.00 0.52 0.00 0.00 34.95 32.06 2k5t s ARG 53 CO 0.05 -0.24 -0.12 0.54 0.02 0.00 0.00 175.30 175.55 2k5t s VAL 54 N 1.57 1.16 -0.58 3.52 0.11 0.20 -0.58 120.40 125.78 2k5t s VAL 54 Ca 0.06 -0.48 -0.19 0.00 -2.93 0.00 0.00 61.98 58.44 2k5t s VAL 54 Cb -0.15 -1.07 0.09 0.00 -1.53 0.00 0.00 36.38 33.72 2k5t s VAL 54 CO 0.02 0.36 0.71 -0.89 -3.33 0.00 0.00 175.10 171.98 2k5t s THR 55 N 0.79 4.79 -1.05 5.04 2.01 0.20 -0.31 115.64 127.11 2k5t s THR 55 Ca -0.12 -0.86 -0.18 0.00 0.31 0.00 0.00 61.69 60.83 2k5t s THR 55 Cb -0.15 -4.48 0.12 0.00 0.01 0.00 0.00 72.50 68.00 2k5t s THR 55 CO 0.02 -1.11 1.32 -0.76 -0.69 0.00 0.00 174.62 173.40 2k5t s LEU 56 N 2.79 4.68 -0.49 4.42 1.43 0.14 -1.57 118.68 130.07 2k5t s LEU 56 Ca 0.13 -2.23 -0.18 0.00 -1.03 0.00 0.00 54.13 50.82 2k5t s LEU 56 Cb -0.23 -2.45 0.06 0.00 0.03 0.00 0.00 46.19 43.60 2k5t s LEU 56 CO 0.07 -1.07 0.55 -0.55 0.23 0.00 0.00 176.35 175.59 2k5t s SER 57 N 3.71 6.20 1.44 2.29 0.15 -0.23 -4.24 113.70 123.03 2k5t s SER 57 Ca 0.40 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 56.05 2k5t s SER 57 Cb -0.03 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2k5t s SER 57 CO -0.05 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.20 2k5t n GLY 58 N 5.17 2.11 0.45 9.45 0.00 -1.26 -1.82 105.19 119.29 2k5t n GLY 58 Ca -0.08 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 0.87 -4.41 2.61 -2.24 -1.26 -4.98 114.28 104.87 2k5t n THR 59 Ca 0.00 -0.93 -0.35 0.00 -2.27 0.00 0.00 64.05 60.50 2k5t n THR 59 Cb 0.00 0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.96 3.09 -0.25 -0.78 8.01 -0.76 -4.46 118.70 122.60 2k5t s GLU 60 Ca 0.16 -0.45 -0.01 0.00 0.01 0.00 0.00 54.97 54.69 2k5t s GLU 60 Cb 0.09 -2.79 0.03 0.00 -4.31 0.00 0.00 34.13 27.15 2k5t s GLU 60 CO 0.11 0.60 -0.08 0.20 0.01 0.00 0.00 175.26 176.11 2k5t s GLY 61 N -0.62 1.62 -0.15 -1.39 0.00 -1.24 -1.07 107.32 104.47 2k5t s GLY 61 Ca 0.10 -1.52 -0.02 0.00 0.00 0.00 0.00 44.72 43.27 2k5t s GLY 61 CO 0.02 0.53 -0.08 0.00 0.00 0.00 0.00 173.10 173.58 2k5t s ALA 62 N 1.27 2.83 -0.46 3.20 0.00 -0.61 -0.61 121.76 127.38 2k5t s ALA 62 Ca -0.02 -0.88 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 2k5t s ALA 62 Cb -0.17 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.55 2k5t s ALA 62 CO -0.05 0.16 0.60 -0.51 0.00 0.00 0.00 175.76 175.96 2k5t s LEU 63 N 0.47 4.72 0.14 0.00 1.02 0.15 0.60 118.68 125.79 2k5t s LEU 63 Ca -0.06 -0.59 0.10 0.00 0.02 0.00 0.00 54.13 53.60 2k5t s LEU 63 Cb -0.15 -2.57 -0.13 0.00 0.02 0.00 0.00 46.19 43.36 2k5t s LEU 63 CO 0.04 -0.78 1.24 0.44 0.02 0.00 0.00 176.35 177.30 2k5t h ASP 64 N 8.89 0.00 -3.04 2.29 5.19 -1.16 -0.53 116.42 128.06 2k5t h ASP 64 Ca -0.26 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.05 2k5t h ASP 64 Cb 1.10 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 40.35 2k5t h ASP 64 CO 0.90 0.84 -0.29 -0.44 -3.12 0.00 0.00 179.24 177.14 2k5t s SER 65 N -6.53 -0.50 -0.21 6.45 0.01 -1.01 -3.92 113.70 107.98 2k5t s SER 65 Ca 0.01 0.97 -0.01 0.00 1.31 0.00 0.00 55.95 58.22 2k5t s SER 65 Cb 0.09 0.96 0.06 0.00 0.21 0.00 0.00 66.02 67.34 2k5t s SER 65 CO 0.80 -0.21 0.01 -0.22 0.41 0.00 0.00 173.24 174.03 2k5t s LEU 66 N 1.69 1.72 -0.20 2.44 2.96 -1.26 -0.43 118.68 125.60 2k5t s LEU 66 Ca -0.08 -0.98 -0.04 0.00 -0.22 0.00 0.00 54.13 52.81 2k5t s LEU 66 Cb -0.09 -0.81 0.08 0.00 0.50 0.00 0.00 46.19 45.87 2k5t s LEU 66 CO -0.13 -0.28 0.18 -0.60 -1.32 0.00 0.00 176.35 174.19 2k5t s ARG 67 N 1.68 0.15 0.24 1.98 3.52 -1.01 -5.06 118.95 120.46 2k5t s ARG 67 Ca -0.02 0.07 0.02 0.00 -0.13 0.00 0.00 55.73 55.67 2k5t s ARG 67 Cb -0.18 -1.41 -0.03 0.00 -1.56 0.00 0.00 34.95 31.77 2k5t s ARG 67 CO -0.08 -0.68 0.41 0.08 -0.81 0.00 0.00 175.30 174.21 2k5t s VAL 68 N 2.26 5.21 0.54 7.11 1.01 -1.26 -1.97 120.40 133.29 2k5t s VAL 68 Ca 0.05 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.18 2k5t s VAL 68 Cb -0.16 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 2k5t s VAL 68 CO -0.12 -0.31 1.26 -1.14 0.00 0.00 0.00 175.10 174.78 2k5t n ARG 69 N -1.18 1.53 -0.25 2.72 0.63 0.14 -4.87 116.66 115.38 2k5t n ARG 69 Ca -0.06 0.57 0.18 0.00 -0.92 0.00 0.00 57.85 57.61 2k5t n ARG 69 Cb 0.55 -2.45 0.49 0.00 0.45 0.00 0.00 32.46 31.50 2k5t n ARG 69 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2k5t h GLU 70 N 1.30 0.44 0.00 -0.14 5.08 -1.97 0.08 114.58 119.37 2k5t h GLU 70 Ca -0.50 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2k5t h GLU 70 Cb 1.32 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2k5t h GLU 70 CO 0.56 0.29 0.00 0.28 -1.00 0.00 0.00 179.01 179.14 2k5t n VAL 71 N -4.54 0.00 -0.19 3.13 0.31 -1.26 -2.07 118.33 113.71 2k5t n VAL 71 Ca 0.20 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.62 2k5t n VAL 71 Cb 0.68 -0.21 0.25 0.00 -0.91 0.00 0.00 33.84 33.65 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 -0.60 0.89 -1.87 2.52 -1.04 0.01 -4.93 114.28 109.26 2k5t n THR 72 Ca 0.04 -0.95 -0.41 0.00 -2.04 0.00 0.00 64.05 60.69 2k5t n THR 72 Cb 0.02 0.60 -0.03 0.00 -1.82 0.00 0.00 70.33 69.10 2k5t n THR 72 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2k5t s ARG 73 N -1.07 3.04 -0.27 -2.82 3.52 -0.88 -4.03 118.95 116.44 2k5t s ARG 73 Ca 0.38 1.42 -0.02 0.00 -0.13 0.00 0.00 55.73 57.39 2k5t s ARG 73 Cb 0.20 -4.31 0.01 0.00 -1.56 0.00 0.00 34.95 29.29 2k5t s ARG 73 CO 0.27 -2.21 0.03 -2.13 -0.81 0.00 0.00 175.30 170.45 2k5t n ARG 74 N 8.68 -3.41 0.00 5.12 0.63 -1.26 -5.00 116.66 121.43 2k5t n ARG 74 Ca 0.26 2.73 0.00 0.00 -0.92 0.00 0.00 57.85 59.91 2k5t n ARG 74 Cb 0.48 -5.03 0.00 0.00 0.45 0.00 0.00 32.46 28.36 2k5t n ARG 74 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2k5t n ARG 75 N 0.78 0.00 0.00 -0.14 0.63 -1.26 -5.05 116.66 111.62 2k5t n ARG 75 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 2k5t n ARG 75 Cb 0.09 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.00 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 -1.31 1.41 0.30 5.14 0.00 -1.26 -4.99 105.19 104.48 2k5t n GLY 76 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2k5t n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k5t h VAL 77 N 0.00 0.92 -0.25 1.61 2.07 -1.97 -1.46 116.25 117.17 2k5t h VAL 77 Ca 0.00 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.27 2k5t h VAL 77 Cb 0.00 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 2k5t h VAL 77 CO 0.00 0.14 0.17 1.23 0.02 0.00 0.00 177.57 179.13 2k5t h GLY 78 N 0.79 0.26 0.95 2.17 0.00 -1.94 -0.16 103.07 105.13 2k5t h GLY 78 Ca 0.39 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 2k5t h GLY 78 CO -0.24 0.09 0.07 -1.61 0.00 0.00 0.00 176.54 174.85 2k5t h GLN 79 N 0.24 0.69 -0.30 4.80 4.15 -1.69 -2.74 115.11 120.26 2k5t h GLN 79 Ca 0.10 -0.19 -0.13 0.00 0.77 0.00 0.00 58.65 59.20 2k5t h GLN 79 Cb 0.10 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2k5t h GLN 79 CO -0.02 0.73 -0.35 -0.92 -1.93 0.00 0.00 178.83 176.34 2k5t h TYR 80 N 0.55 0.79 -0.12 3.99 5.03 -1.27 -2.65 116.97 123.29 2k5t h TYR 80 Ca 0.13 -0.21 0.04 0.00 2.58 0.00 0.00 58.73 61.26 2k5t h TYR 80 Cb 0.37 -0.17 -0.07 0.00 1.55 0.00 0.00 36.73 38.41 2k5t h TYR 80 CO 0.03 0.93 -0.49 1.25 -1.32 0.00 0.00 178.16 178.55 2k5t h LEU 81 N 0.56 -1.55 -1.23 2.82 5.85 -0.78 0.21 115.31 121.21 2k5t h LEU 81 Ca 0.06 0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 2k5t h LEU 81 Cb 0.86 0.61 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 2k5t h LEU 81 CO 0.07 -0.47 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.50 2k5t h LEU 82 N -0.55 0.35 0.29 2.25 -0.00 -1.51 -1.76 115.31 114.37 2k5t h LEU 82 Ca 0.05 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2k5t h LEU 82 Cb 0.67 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.22 2k5t h LEU 82 CO -0.42 0.52 -0.21 -0.33 -0.00 0.00 0.00 178.44 178.00 2k5t h GLU 83 N 0.34 -0.49 -0.50 1.13 5.08 -0.94 -2.03 114.58 117.18 2k5t h GLU 83 Ca 0.06 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2k5t h GLU 83 Cb 0.45 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2k5t h GLU 83 CO 0.03 -0.32 0.06 1.49 -1.00 0.00 0.00 179.01 179.27 2k5t h GLU 84 N -0.50 0.79 -0.08 2.33 4.57 -0.32 0.12 114.58 121.49 2k5t h GLU 84 Ca -0.02 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2k5t h GLU 84 Cb 0.44 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2k5t h GLU 84 CO -0.00 0.75 0.04 0.28 -1.18 0.00 0.00 179.01 178.90 2k5t h VAL 85 N 0.75 1.07 0.00 0.32 2.07 -1.23 0.12 116.25 119.35 2k5t h VAL 85 Ca 0.16 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2k5t h VAL 85 Cb 0.36 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2k5t h VAL 85 CO 0.01 0.06 0.00 0.18 0.02 0.00 0.00 177.57 177.84 2k5t n LEU 86 N -5.00 0.00 0.03 2.57 4.32 -0.77 -0.99 117.00 117.16 2k5t n LEU 86 Ca -0.06 0.23 -0.20 0.00 -0.02 0.00 0.00 56.01 55.96 2k5t n LEU 86 Cb 0.06 -0.23 -0.14 0.00 -1.62 0.00 0.00 43.42 41.49 2k5t n LEU 86 CO 0.34 -0.02 -0.63 0.03 -1.22 0.00 0.00 177.39 175.89 2k5t h ARG 87 N 0.00 0.29 -0.24 3.23 3.08 -0.30 -3.03 114.38 117.40 2k5t h ARG 87 Ca 0.00 -0.49 -0.17 0.00 0.07 0.00 0.00 59.98 59.39 2k5t h ARG 87 Cb 0.21 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2k5t h ARG 87 CO 0.00 1.18 -0.53 -0.97 -1.07 0.00 0.00 179.97 178.57 2k5t h ASN 88 N 0.08 0.79 -2.59 7.04 -1.24 -0.28 -3.34 115.58 116.04 2k5t h ASN 88 Ca -0.36 -0.42 -0.61 0.00 0.71 0.00 0.00 56.30 55.62 2k5t h ASN 88 Cb 2.05 -0.23 -0.42 0.00 0.73 0.00 0.00 38.32 40.46 2k5t h ASN 88 CO 0.13 1.17 -0.58 0.59 -1.29 0.00 0.00 177.43 177.45 2k5t n ASN 89 N -3.99 3.43 -0.26 1.15 5.03 -0.17 -4.91 115.26 115.55 2k5t n ASN 89 Ca -0.04 -3.34 0.14 0.00 0.87 0.00 0.00 54.58 52.21 2k5t n ASN 89 Cb 0.61 -0.71 0.51 0.00 -1.02 0.00 0.00 39.78 39.17 2k5t n ASN 89 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2k5t n PRO 90 N 1.34 1.01 -0.62 3.52 -0.04 -1.14 -4.00 135.00 135.06 2k5t n PRO 90 Ca 0.26 -0.51 0.05 0.00 -0.04 0.00 0.00 63.50 63.25 2k5t n PRO 90 Cb 0.38 -1.49 0.29 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 1.26 2.50 3.49 0.55 0.00 -1.26 -4.82 105.19 106.91 2k5t n GLY 91 Ca 0.15 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.20 4.18 -0.16 1.61 1.01 -1.26 -4.99 120.40 118.58 2k5t s VAL 92 Ca 0.39 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 2k5t s VAL 92 Cb 0.29 -2.90 -0.23 0.00 0.00 0.00 0.00 36.38 33.55 2k5t s VAL 92 CO 0.12 0.42 0.23 -1.20 0.00 0.00 0.00 175.10 174.67 2k5t n SER 93 N 4.19 2.04 -4.25 3.32 7.64 -1.26 -4.10 113.62 121.21 2k5t n SER 93 Ca -0.17 0.23 -0.43 0.00 1.01 0.00 0.00 58.87 59.51 2k5t n SER 93 Cb 0.52 -0.84 -0.06 0.00 -1.01 0.00 0.00 64.21 62.82 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 0.95 3.55 -0.07 0.00 0.52 -0.45 -3.63 118.94 119.82 2k5t s TRP 95 Ca 0.09 0.98 0.05 0.00 0.02 0.00 0.00 56.10 57.24 2k5t s TRP 95 Cb -0.23 -2.58 -0.01 0.00 -1.15 0.00 0.00 33.47 29.51 2k5t s TRP 95 CO -0.02 0.20 -0.24 -0.46 0.02 0.00 0.00 176.95 176.45 2k5t s TRP 96 N 0.48 2.40 -0.15 -1.98 -0.11 0.22 -0.63 118.94 119.17 2k5t s TRP 96 Ca 0.28 -0.81 0.02 0.00 1.22 0.00 0.00 56.10 56.81 2k5t s TRP 96 Cb -0.16 -1.59 0.01 0.00 -1.50 0.00 0.00 33.47 30.23 2k5t s TRP 96 CO 0.12 -0.28 -0.20 -1.64 -4.62 0.00 0.00 176.95 170.33 2k5t s MET 97 N 0.04 3.06 0.79 5.86 -1.94 0.14 0.35 119.30 127.59 2k5t s MET 97 Ca -0.09 -0.83 -0.09 0.00 -1.71 0.00 0.00 55.69 52.97 2k5t s MET 97 Cb -0.15 -2.49 0.11 0.00 2.01 0.00 0.00 34.83 34.31 2k5t s MET 97 CO 0.05 -0.02 1.11 0.00 -0.01 0.00 0.00 175.02 176.16 2k5t s ALA 98 N 0.84 2.95 0.39 3.03 0.00 -0.21 -1.49 121.76 127.27 2k5t s ALA 98 Ca -0.06 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 50.88 2k5t s ALA 98 Cb -0.15 -2.59 0.83 0.00 0.00 0.00 0.00 23.12 21.21 2k5t s ALA 98 CO -0.02 -1.67 1.98 -0.44 0.00 0.00 0.00 175.76 175.61 2k5t h ASP 99 N -0.91 0.56 -0.14 0.00 5.19 -1.86 -3.46 116.42 115.79 2k5t h ASP 99 Ca -0.43 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.92 2k5t h ASP 99 Cb 1.29 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 2k5t h ASP 99 CO 0.52 0.36 -0.05 0.00 -3.12 0.00 0.00 179.24 176.94 2k5t n ALA 100 N -2.47 -0.04 -1.02 3.45 0.00 -1.25 -0.53 120.51 118.64 2k5t n ALA 100 Ca 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.58 2k5t n ALA 100 Cb 0.24 -1.30 -0.00 0.00 0.00 0.00 0.00 19.45 18.39 2k5t n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5t n GLY 101 N 0.01 0.47 3.55 0.00 0.00 -1.26 -4.83 105.19 103.12 2k5t n GLY 101 Ca -0.03 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.93 3.85 -2.25 1.61 1.01 0.31 -4.80 120.40 118.20 2k5t s VAL 102 Ca 0.00 0.45 0.28 0.00 0.00 0.00 0.00 61.98 62.71 2k5t s VAL 102 Cb 0.00 -4.85 0.51 0.00 0.00 0.00 0.00 36.38 32.04 2k5t s VAL 102 CO 0.00 -1.69 1.75 -0.62 0.00 0.00 0.00 175.10 174.53 2k5t n GLU 103 N 8.99 1.38 -0.97 2.72 1.02 -1.26 -3.90 120.64 128.62 2k5t n GLU 103 Ca 0.04 -0.76 -0.15 0.00 -0.02 0.00 0.00 57.16 56.27 2k5t n GLU 103 Cb 0.49 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.39 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 -0.15 5.97 -0.31 1.62 9.92 -1.26 -4.66 116.55 127.68 2k5t n ASP 104 Ca 0.18 -2.84 0.02 0.00 -0.53 0.00 0.00 54.79 51.62 2k5t n ASP 104 Cb 0.33 -1.19 0.16 0.00 -0.64 0.00 0.00 41.12 39.78 2k5t n ASP 104 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2k5t h ARG 105 N 2.05 0.90 -0.15 -1.24 3.08 -1.99 -2.23 114.38 114.81 2k5t h ARG 105 Ca 0.23 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.28 2k5t h ARG 105 Cb 1.01 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.79 2k5t h ARG 105 CO 0.51 0.60 -0.28 0.78 -1.07 0.00 0.00 179.97 180.51 2k5t h GLY 106 N 0.93 -0.33 0.95 0.04 0.00 -1.94 0.40 103.07 103.11 2k5t h GLY 106 Ca 0.40 0.35 -0.07 0.00 0.00 0.00 0.00 47.33 48.00 2k5t h GLY 106 CO -0.20 -0.21 -0.04 -2.08 0.00 0.00 0.00 176.54 174.01 2k5t h VAL 107 N -0.34 1.27 -0.22 4.60 2.07 -1.88 -2.73 116.25 119.01 2k5t h VAL 107 Ca 0.10 -1.08 -0.14 0.00 0.82 0.00 0.00 66.70 66.41 2k5t h VAL 107 Cb 0.50 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2k5t h VAL 107 CO -0.34 0.36 -0.43 -0.03 0.02 0.00 0.00 177.57 177.15 2k5t h MET 108 N 0.52 0.54 -0.41 1.57 -1.53 -1.04 -0.94 114.93 113.65 2k5t h MET 108 Ca 0.10 -0.28 -0.09 0.00 -3.44 0.00 0.00 59.70 55.99 2k5t h MET 108 Cb 0.53 0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.57 2k5t h MET 108 CO 0.03 0.87 -0.13 1.15 0.14 0.00 0.00 176.91 178.97 2k5t h THR 109 N 0.44 1.26 -0.47 -0.77 2.02 -0.18 0.29 112.91 115.50 2k5t h THR 109 Ca 0.03 -1.18 -0.09 0.00 0.77 0.00 0.00 66.41 65.95 2k5t h THR 109 Cb 0.93 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 2k5t h THR 109 CO 0.08 0.40 -0.05 0.00 0.37 0.00 0.00 175.52 176.32 2k5t h ALA 110 N 1.18 1.02 -0.32 6.16 0.00 -1.22 -0.69 119.26 125.40 2k5t h ALA 110 Ca 0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k5t h ALA 110 Cb 0.60 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k5t h ALA 110 CO 0.04 0.60 0.18 0.35 0.00 0.00 0.00 179.25 180.42 2k5t h PHE 111 N 0.75 0.42 -0.64 0.00 3.57 -0.48 -2.13 116.94 118.43 2k5t h PHE 111 Ca 0.14 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.66 2k5t h PHE 111 Cb 0.53 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 2k5t h PHE 111 CO 0.03 0.32 0.40 0.52 -2.23 0.00 0.00 178.31 177.35 2k5t h MET 112 N 0.40 0.77 -0.34 1.11 2.86 -0.09 -2.08 114.93 117.56 2k5t h MET 112 Ca 0.11 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 2k5t h MET 112 Cb 0.03 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 2k5t h MET 112 CO -0.02 0.51 0.09 0.37 1.06 0.00 0.00 176.91 178.92 2k5t h GLN 113 N 0.79 0.49 -0.13 1.72 5.75 -0.92 -0.95 115.11 121.86 2k5t h GLN 113 Ca 0.26 -0.07 -0.18 0.00 -0.15 0.00 0.00 58.65 58.51 2k5t h GLN 113 Cb 0.01 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.47 2k5t h GLN 113 CO -0.10 0.44 -0.66 0.00 -2.65 0.00 0.00 178.83 175.86 2k5t h ALA 114 N 1.63 0.60 -0.32 3.38 0.00 -0.74 -3.00 119.26 120.80 2k5t h ALA 114 Ca 0.12 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2k5t h ALA 114 Cb 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2k5t h ALA 114 CO -0.01 0.72 0.00 1.28 0.00 0.00 0.00 179.25 181.25 2k5t n LEU 115 N -3.90 2.03 -2.12 0.00 4.32 -0.87 -4.94 117.00 111.51 2k5t n LEU 115 Ca -0.04 -0.96 -0.01 0.00 -0.02 0.00 0.00 56.01 54.98 2k5t n LEU 115 Cb 0.67 -0.21 0.01 0.00 -1.62 0.00 0.00 43.42 42.26 2k5t n LEU 115 CO 0.48 0.48 0.11 0.61 -1.22 0.00 0.00 177.39 177.85 2k5t n GLY 116 N 1.15 -0.52 3.46 -0.72 0.00 -0.72 -5.06 105.19 102.77 2k5t n GLY 116 Ca 0.14 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.03 2.44 -0.02 1.61 0.40 -0.44 -4.79 117.98 114.14 2k5t s PHE 117 Ca 0.03 -0.31 -0.18 0.00 -0.60 0.00 0.00 56.93 55.88 2k5t s PHE 117 Cb -0.00 -1.26 -0.05 0.00 0.51 0.00 0.00 43.02 42.21 2k5t s PHE 117 CO 0.29 0.42 0.49 0.99 0.70 0.00 0.00 175.22 178.11 2k5t s THR 118 N -1.32 5.01 -0.42 0.64 2.01 0.25 -4.69 115.64 117.12 2k5t s THR 118 Ca 0.19 1.01 -0.14 0.00 0.31 0.00 0.00 61.69 63.05 2k5t s THR 118 Cb -0.10 -3.81 0.04 0.00 0.01 0.00 0.00 72.50 68.64 2k5t s THR 118 CO 0.10 0.47 0.30 0.42 -0.69 0.00 0.00 174.62 175.22 2k5t s THR 119 N -0.40 5.06 0.33 -0.82 -4.23 -1.26 0.14 115.64 114.45 2k5t s THR 119 Ca 0.26 -0.84 0.02 0.00 -1.18 0.00 0.00 61.69 59.96 2k5t s THR 119 Cb -0.17 -3.88 -0.03 0.00 1.34 0.00 0.00 72.50 69.76 2k5t s THR 119 CO 0.14 -0.37 0.51 -1.10 -0.54 0.00 0.00 174.62 173.26 2k5t s GLN 120 N 1.63 3.43 -1.06 3.99 -1.52 0.10 -5.00 119.66 121.22 2k5t s GLN 120 Ca 0.04 -0.48 -0.22 0.00 -1.95 0.00 0.00 55.36 52.74 2k5t s GLN 120 Cb -0.20 -2.72 0.04 0.00 -0.22 0.00 0.00 33.01 29.91 2k5t s GLN 120 CO 0.08 0.18 1.56 -0.65 -0.25 0.00 0.00 175.29 176.21 2k5t s GLN 121 N -4.24 3.54 0.00 2.91 -0.21 -1.26 -2.71 119.66 117.69 2k5t s GLN 121 Ca 0.39 -1.20 0.00 0.00 0.02 0.00 0.00 55.36 54.57 2k5t s GLN 121 Cb -0.09 -5.36 0.00 0.00 1.00 0.00 0.00 33.01 28.55 2k5t s GLN 121 CO 0.34 -2.36 0.00 0.41 -2.12 0.00 0.00 175.29 171.56 2k5t n GLY 122 N 6.60 0.54 0.00 3.09 0.00 -1.26 -5.11 105.19 109.04 2k5t n GLY 122 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.20 3.50 -0.02 0.00 -1.10 -4.67 105.19 103.10 2k5t n GLY 123 Ca 0.00 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 2.55 0.16 1.61 0.51 -0.56 -0.72 118.94 120.50 2k5t s TRP 124 Ca 0.00 -0.26 0.08 0.00 -2.12 0.00 0.00 56.10 53.80 2k5t s TRP 124 Cb 0.00 -1.34 -0.04 0.00 -0.81 0.00 0.00 33.47 31.28 2k5t s TRP 124 CO 0.00 0.41 -0.16 -1.21 -0.51 0.00 0.00 176.95 175.48 2k5t s GLU 125 N -2.24 1.23 -0.06 4.98 2.02 0.12 0.23 118.70 124.98 2k5t s GLU 125 Ca 0.19 -1.42 -0.01 0.00 0.02 0.00 0.00 54.97 53.75 2k5t s GLU 125 Cb -0.10 -1.17 0.03 0.00 0.10 0.00 0.00 34.13 32.99 2k5t s GLU 125 CO 0.11 0.22 0.02 0.21 0.02 0.00 0.00 175.26 175.84 2k5t s LYS 126 N -3.00 0.33 -0.56 1.61 2.20 0.19 0.88 119.74 121.40 2k5t s LYS 126 Ca 0.16 0.20 -0.24 0.00 -0.36 0.00 0.00 55.97 55.73 2k5t s LYS 126 Cb -0.04 -0.75 0.04 0.00 -1.51 0.00 0.00 37.83 35.57 2k5t s LYS 126 CO 0.06 -0.29 0.95 0.00 -0.36 0.00 0.00 175.35 175.71