#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 3.55 -0.31 0.03 1.02 -1.26 -4.97 119.74 117.80 2k5t s LYS 2 Ca 0.00 -1.23 -0.29 0.00 0.02 0.00 0.00 55.97 54.47 2k5t s LYS 2 Cb 0.00 -5.14 0.00 0.00 -0.52 0.00 0.00 37.83 32.17 2k5t s LYS 2 CO 0.00 -2.08 1.29 -1.17 -0.92 0.00 0.00 175.35 172.47 2k5t s LEU 3 N 4.40 3.86 -1.00 3.17 2.96 -1.26 -4.84 118.68 125.96 2k5t s LEU 3 Ca 0.41 1.15 -0.22 0.00 -0.22 0.00 0.00 54.13 55.26 2k5t s LEU 3 Cb -0.02 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.20 2k5t s LEU 3 CO -0.08 -1.10 1.36 -0.89 -1.32 0.00 0.00 176.35 174.33 2k5t s THR 4 N 4.40 4.16 -0.41 3.68 2.01 -1.14 -4.92 115.64 123.43 2k5t s THR 4 Ca 0.56 -1.02 -0.18 0.00 0.31 0.00 0.00 61.69 61.36 2k5t s THR 4 Cb -0.16 -4.98 0.02 0.00 0.01 0.00 0.00 72.50 67.39 2k5t s THR 4 CO 0.23 -1.81 0.47 -0.51 -0.69 0.00 0.00 174.62 172.31 2k5t s ILE 5 N 4.29 5.05 0.31 1.82 1.10 -1.26 -1.55 121.20 130.96 2k5t s ILE 5 Ca 0.42 -0.17 0.03 0.00 -0.51 0.00 0.00 60.65 60.42 2k5t s ILE 5 Cb -0.01 -4.04 -0.05 0.00 0.15 0.00 0.00 42.46 38.51 2k5t s ILE 5 CO -0.10 -0.40 0.08 0.27 -2.11 0.00 0.00 174.94 172.69 2k5t s ILE 6 N 2.25 0.90 -0.03 2.00 -4.36 -0.83 -4.91 121.20 116.22 2k5t s ILE 6 Ca 0.14 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.37 2k5t s ILE 6 Cb -0.16 -2.69 -0.05 0.00 1.25 0.00 0.00 42.46 40.80 2k5t s ILE 6 CO 0.14 0.00 0.43 0.00 0.24 0.00 0.00 174.94 175.75 2k5t s ARG 7 N -3.92 4.06 -1.38 0.37 1.70 -1.26 0.25 118.95 118.77 2k5t s ARG 7 Ca 0.36 0.43 -0.15 0.00 -0.47 0.00 0.00 55.73 55.90 2k5t s ARG 7 Cb 0.08 -3.28 0.02 0.00 -0.57 0.00 0.00 34.95 31.20 2k5t s ARG 7 CO 0.15 0.54 2.17 -0.11 -1.08 0.00 0.00 175.30 176.98 2k5t n LEU 8 N 2.32 6.47 -0.08 -1.89 7.94 -0.37 -4.69 117.00 126.70 2k5t n LEU 8 Ca -0.12 -4.00 -0.13 0.00 -1.11 0.00 0.00 56.01 50.65 2k5t n LEU 8 Cb 0.52 -1.61 -0.05 0.00 0.53 0.00 0.00 43.42 42.81 2k5t n LEU 8 CO 0.39 0.90 0.60 -0.08 -1.11 0.00 0.00 177.39 178.09 2k5t h GLU 9 N 6.29 0.59 -5.49 1.96 4.81 -1.94 -3.44 114.58 117.37 2k5t h GLU 9 Ca 0.55 -0.30 -0.65 0.00 -0.13 0.00 0.00 59.36 58.82 2k5t h GLU 9 Cb 0.66 0.01 -0.23 0.00 0.63 0.00 0.00 28.75 29.81 2k5t h GLU 9 CO 1.87 0.89 -0.71 0.15 -0.73 0.00 0.00 179.01 180.48 2k5t s LYS 10 N -4.40 3.36 -0.35 1.92 1.02 -1.26 -4.89 119.74 115.14 2k5t s LYS 10 Ca -0.13 -0.60 -0.13 0.00 0.02 0.00 0.00 55.97 55.13 2k5t s LYS 10 Cb 0.08 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.65 2k5t s LYS 10 CO 0.80 0.32 0.27 -0.06 -0.92 0.00 0.00 175.35 175.76 2k5t s PHE 11 N 0.11 3.23 0.31 3.18 0.08 -1.26 -5.03 117.98 118.60 2k5t s PHE 11 Ca -0.03 -0.21 0.07 0.00 0.12 0.00 0.00 56.93 56.88 2k5t s PHE 11 Cb -0.14 -2.53 -0.02 0.00 -0.57 0.00 0.00 43.02 39.76 2k5t s PHE 11 CO 0.04 -0.39 0.37 -1.54 -0.10 0.00 0.00 175.22 173.60 2k5t s SER 12 N 1.72 5.77 0.40 1.36 1.04 -1.26 -5.00 113.70 117.73 2k5t s SER 12 Ca 0.07 -0.25 0.14 0.00 0.48 0.00 0.00 55.95 56.39 2k5t s SER 12 Cb -0.17 -1.26 0.83 0.00 0.10 0.00 0.00 66.02 65.52 2k5t s SER 12 CO 0.11 -0.32 1.89 -0.78 0.98 0.00 0.00 173.24 175.12 2k5t h ASP 13 N 1.10 0.00 0.01 7.02 3.58 -1.99 -2.25 116.42 123.89 2k5t h ASP 13 Ca -0.47 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.98 2k5t h ASP 13 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2k5t h ASP 13 CO 0.56 0.30 -0.01 1.56 -2.88 0.00 0.00 179.24 178.78 2k5t h GLN 14 N 0.00 -0.02 -0.45 0.28 4.20 -2.00 -2.49 115.11 114.63 2k5t h GLN 14 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2k5t h GLN 14 Cb 0.54 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2k5t h GLN 14 CO 0.04 0.33 0.20 -0.44 -0.67 0.00 0.00 178.83 178.29 2k5t h ASP 15 N -0.37 0.57 -0.72 1.46 3.32 -1.93 -1.11 116.42 117.65 2k5t h ASP 15 Ca -0.00 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 2k5t h ASP 15 Cb 0.36 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 2k5t h ASP 15 CO 0.00 0.50 0.39 -0.09 -1.72 0.00 0.00 179.24 178.33 2k5t h ARG 16 N 0.64 1.02 -0.74 3.56 2.43 -1.31 0.32 114.38 120.30 2k5t h ARG 16 Ca 0.16 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2k5t h ARG 16 Cb 0.10 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 2k5t h ARG 16 CO -0.02 0.75 0.46 0.82 -1.51 0.00 0.00 179.97 180.48 2k5t h ILE 17 N 1.02 1.20 -0.16 1.20 2.04 -0.75 -0.67 117.51 121.39 2k5t h ILE 17 Ca 0.26 -0.41 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 2k5t h ILE 17 Cb 0.04 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 2k5t h ILE 17 CO -0.04 0.20 -0.38 0.44 0.00 0.00 0.00 178.15 178.37 2k5t h ASP 18 N 1.00 0.36 -0.17 1.72 3.32 -0.92 -2.05 116.42 119.68 2k5t h ASP 18 Ca 0.27 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 2k5t h ASP 18 Cb -0.07 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2k5t h ASP 18 CO -0.05 0.72 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.03 2k5t h LEU 19 N 0.30 0.48 -1.30 1.55 3.38 -0.41 -1.82 115.31 117.49 2k5t h LEU 19 Ca 0.03 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2k5t h LEU 19 Cb 0.80 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2k5t h LEU 19 CO 0.06 0.61 -0.23 1.56 0.09 0.00 0.00 178.44 180.54 2k5t h GLN 20 N 0.47 0.00 -0.34 1.13 4.20 -0.47 0.38 115.11 120.48 2k5t h GLN 20 Ca 0.09 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 2k5t h GLN 20 Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2k5t h GLN 20 CO 0.02 0.23 -0.02 0.87 -0.67 0.00 0.00 178.83 179.26 2k5t h LYS 21 N 0.00 0.61 -0.01 1.46 1.57 -0.76 -2.58 116.57 116.86 2k5t h LYS 21 Ca -0.00 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.46 2k5t h LYS 21 Cb 0.66 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.93 2k5t h LYS 21 CO 0.03 0.74 -0.44 0.82 -0.57 0.00 0.00 179.45 180.03 2k5t h ILE 22 N 0.41 1.47 -2.51 1.86 2.04 -0.99 -3.39 117.51 116.39 2k5t h ILE 22 Ca 0.09 -1.98 -0.60 0.00 1.00 0.00 0.00 64.86 63.37 2k5t h ILE 22 Cb 0.48 2.61 -0.41 0.00 -0.74 0.00 0.00 36.82 38.76 2k5t h ILE 22 CO 0.02 0.56 -0.67 0.79 0.00 0.00 0.00 178.15 178.85 2k5t n TRP 23 N -4.34 2.69 0.20 1.37 8.01 0.13 -4.85 117.44 120.64 2k5t n TRP 23 Ca -0.10 -4.08 0.09 0.00 -1.31 0.00 0.00 57.50 52.11 2k5t n TRP 23 Cb 0.59 -0.49 0.18 0.00 -2.01 0.00 0.00 31.31 29.58 2k5t n TRP 23 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2k5t h PRO 24 N 4.71 0.00 -0.01 -0.99 0.13 -1.67 -3.17 132.00 131.00 2k5t h PRO 24 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2k5t h PRO 24 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2k5t h PRO 24 CO 0.71 0.17 -0.17 0.39 -0.23 0.00 0.00 178.00 178.88 2k5t n GLU 25 N -3.16 1.08 -3.45 0.86 1.02 -1.26 -4.87 120.64 110.86 2k5t n GLU 25 Ca 0.03 -0.62 -0.36 0.00 -0.02 0.00 0.00 57.16 56.19 2k5t n GLU 25 Cb 0.57 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.45 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 -2.35 3.67 0.05 -0.32 5.04 -1.20 -5.04 117.35 117.20 2k5t s TYR 26 Ca 0.29 1.00 -0.31 0.00 -2.44 0.00 0.00 57.07 55.61 2k5t s TYR 26 Cb 0.20 -2.31 -0.07 0.00 0.35 0.00 0.00 41.96 40.13 2k5t s TYR 26 CO 0.46 0.54 1.58 -1.12 -1.34 0.00 0.00 175.55 175.67 2k5t s SER 27 N -1.44 6.68 -0.62 4.32 0.01 -1.26 -4.90 113.70 116.49 2k5t s SER 27 Ca 0.31 2.37 -0.26 0.00 1.31 0.00 0.00 55.95 59.68 2k5t s SER 27 Cb -0.16 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.45 2k5t s SER 27 CO 0.17 -0.84 2.17 -2.16 0.41 0.00 0.00 173.24 173.00 2k5t s PRO 28 N 2.58 2.26 0.80 12.44 0.04 -1.26 -4.95 135.00 146.91 2k5t s PRO 28 Ca 0.71 0.83 -0.06 0.00 0.04 0.00 0.00 61.00 62.52 2k5t s PRO 28 Cb -0.37 -4.60 0.16 0.00 0.04 0.00 0.00 34.50 29.73 2k5t s PRO 28 CO 0.30 -3.26 1.11 -1.54 0.04 0.00 0.00 177.00 173.65 2k5t s SER 29 N 10.18 3.90 0.41 6.66 1.04 -1.26 -4.98 113.70 129.65 2k5t s SER 29 Ca 0.83 -0.20 0.19 0.00 0.48 0.00 0.00 55.95 57.25 2k5t s SER 29 Cb -0.14 -0.04 0.89 0.00 0.10 0.00 0.00 66.02 66.83 2k5t s SER 29 CO 0.19 -2.18 1.85 0.28 0.98 0.00 0.00 173.24 174.36 2k5t h SER 30 N -0.90 0.00 -3.55 7.02 0.02 -2.06 -3.48 113.55 110.59 2k5t h SER 30 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2k5t h SER 30 Cb 1.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 2k5t h SER 30 CO 0.38 0.31 -0.38 0.18 -1.14 0.00 0.00 176.83 176.19 2k5t n LEU 31 N -3.74 -3.32 -4.09 5.07 4.77 -1.26 -5.09 117.00 109.34 2k5t n LEU 31 Ca -0.01 0.78 -0.22 0.00 -0.03 0.00 0.00 56.01 56.54 2k5t n LEU 31 Cb 0.41 -1.68 -0.15 0.00 -2.33 0.00 0.00 43.42 39.67 2k5t n LEU 31 CO 0.36 -1.02 -0.47 -1.10 -1.33 0.00 0.00 177.39 173.83 2k5t s GLN 32 N -1.29 1.06 0.15 3.23 -0.21 -1.26 -5.05 119.66 116.28 2k5t s GLN 32 Ca -0.04 -0.47 0.08 0.00 0.02 0.00 0.00 55.36 54.96 2k5t s GLN 32 Cb 0.00 -1.03 -0.04 0.00 1.00 0.00 0.00 33.01 32.95 2k5t s GLN 32 CO 0.10 0.28 -0.18 0.14 -2.12 0.00 0.00 175.29 173.51 2k5t s VAL 33 N -0.30 1.72 0.00 1.09 -7.23 -1.25 -4.69 120.40 109.74 2k5t s VAL 33 Ca 0.05 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 2k5t s VAL 33 Cb -0.05 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.15 2k5t s VAL 33 CO -0.00 -0.29 0.00 -0.67 -0.31 0.00 0.00 175.10 173.83 2k5t n ASP 34 N 0.47 0.00 -3.71 4.85 2.03 0.82 -4.80 116.55 116.21 2k5t n ASP 34 Ca -0.15 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.75 2k5t n ASP 34 Cb 0.56 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.96 2k5t n ASP 34 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2k5t n ASP 35 N 0.73 4.57 0.00 1.67 -0.08 -1.26 -4.46 116.55 117.72 2k5t n ASP 35 Ca 0.00 -2.87 0.00 0.00 -1.51 0.00 0.00 54.79 50.41 2k5t n ASP 35 Cb 0.00 -1.62 0.00 0.00 2.34 0.00 0.00 41.12 41.84 2k5t n ASP 35 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2k5t n ASN 36 N 5.43 0.00 -4.43 1.67 4.13 -1.26 -4.89 115.26 115.91 2k5t n ASN 36 Ca 0.53 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 56.37 2k5t n ASN 36 Cb 0.37 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.50 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 -0.16 3.24 -0.26 3.10 3.76 -1.26 0.26 115.29 123.96 2k5t s HIS 37 Ca 0.00 -0.70 -0.06 0.00 -0.15 0.00 0.00 55.06 54.15 2k5t s HIS 37 Cb 0.00 -2.53 -0.00 0.00 1.11 0.00 0.00 32.58 31.16 2k5t s HIS 37 CO 0.00 -0.60 0.04 1.03 -0.85 0.00 0.00 174.74 174.36 2k5t s ARG 38 N 1.64 3.26 -0.40 1.40 0.52 0.02 -0.13 118.95 125.26 2k5t s ARG 38 Ca 0.04 -0.73 -0.16 0.00 -0.52 0.00 0.00 55.73 54.37 2k5t s ARG 38 Cb -0.19 -3.25 0.02 0.00 0.52 0.00 0.00 34.95 32.05 2k5t s ARG 38 CO 0.09 -0.33 0.35 0.42 0.02 0.00 0.00 175.30 175.85 2k5t s ILE 39 N 1.51 5.20 -0.06 1.52 1.01 -1.26 -0.63 121.20 128.49 2k5t s ILE 39 Ca 0.04 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 2k5t s ILE 39 Cb -0.16 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 2k5t s ILE 39 CO 0.01 -0.32 0.24 -0.31 0.00 0.00 0.00 174.94 174.56 2k5t s TYR 40 N 1.86 3.63 -0.21 3.97 2.02 0.60 -1.24 117.35 127.99 2k5t s TYR 40 Ca 0.08 0.66 0.01 0.00 -0.37 0.00 0.00 57.07 57.45 2k5t s TYR 40 Cb -0.18 -2.04 0.05 0.00 -0.40 0.00 0.00 41.96 39.38 2k5t s TYR 40 CO 0.11 0.68 -0.09 0.00 -1.57 0.00 0.00 175.55 174.69 2k5t s ALA 41 N -1.11 1.99 -0.59 3.71 0.00 0.14 -1.30 121.76 124.59 2k5t s ALA 41 Ca 0.20 -1.23 -0.20 0.00 0.00 0.00 0.00 51.96 50.73 2k5t s ALA 41 Cb -0.14 -1.31 0.08 0.00 0.00 0.00 0.00 23.12 21.76 2k5t s ALA 41 CO 0.10 -0.89 0.78 0.00 0.00 0.00 0.00 175.76 175.75 2k5t s ALA 42 N 1.40 3.30 -0.28 0.00 0.00 0.26 -1.96 121.76 124.48 2k5t s ALA 42 Ca -0.02 -1.95 -0.10 0.00 0.00 0.00 0.00 51.96 49.89 2k5t s ALA 42 Cb -0.17 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 2k5t s ALA 42 CO -0.08 -2.41 0.15 -0.98 0.00 0.00 0.00 175.76 172.45 2k5t s ARG 43 N 3.16 3.72 -0.14 0.00 1.70 -0.60 -1.52 118.95 125.27 2k5t s ARG 43 Ca 0.17 -0.46 -0.12 0.00 -0.47 0.00 0.00 55.73 54.85 2k5t s ARG 43 Cb -0.20 -3.56 -0.05 0.00 -0.57 0.00 0.00 34.95 30.57 2k5t s ARG 43 CO 0.09 -0.25 0.24 0.12 -1.08 0.00 0.00 175.30 174.43 2k5t s PHE 44 N 1.69 3.51 -1.61 5.89 5.36 -0.16 -2.87 117.98 129.80 2k5t s PHE 44 Ca 0.06 0.57 0.00 0.00 -0.96 0.00 0.00 56.93 56.61 2k5t s PHE 44 Cb -0.16 -2.21 0.00 0.00 -0.34 0.00 0.00 43.02 40.31 2k5t s PHE 44 CO 0.08 0.41 0.00 -1.71 -1.46 0.00 0.00 175.22 172.54 2k5t n ASN 45 N 3.01 -4.90 -1.13 6.13 5.15 -1.26 -2.11 115.26 120.15 2k5t n ASN 45 Ca -0.15 0.26 -0.14 0.00 -0.60 0.00 0.00 54.58 53.95 2k5t n ASN 45 Cb 0.53 -3.89 -0.06 0.00 -0.53 0.00 0.00 39.78 35.83 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 -2.54 -1.00 -4.66 1.20 1.02 -1.24 -5.00 120.64 108.42 2k5t n GLU 46 Ca -0.17 0.98 -0.24 0.00 -0.02 0.00 0.00 57.16 57.71 2k5t n GLU 46 Cb 0.57 -5.09 -0.14 0.00 -0.02 0.00 0.00 31.44 26.75 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 -3.31 1.29 0.16 3.49 0.52 -0.90 -5.00 118.95 115.20 2k5t s ARG 47 Ca 0.00 -0.74 -0.34 0.00 -0.52 0.00 0.00 55.73 54.13 2k5t s ARG 47 Cb 0.00 -1.30 -0.14 0.00 0.52 0.00 0.00 34.95 34.03 2k5t s ARG 47 CO 0.00 0.34 1.54 1.28 0.02 0.00 0.00 175.30 178.48 2k5t n LEU 48 N 2.25 2.93 0.00 2.53 4.77 -1.26 -0.98 117.00 127.23 2k5t n LEU 48 Ca -0.16 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 2k5t n LEU 48 Cb 0.54 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 2k5t n LEU 48 CO 0.23 -0.39 -0.36 -0.11 -1.33 0.00 0.00 177.39 175.43 2k5t n LEU 49 N 3.21 2.02 -4.06 2.23 7.94 -0.63 -4.79 117.00 122.92 2k5t n LEU 49 Ca 0.17 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.89 2k5t n LEU 49 Cb 0.28 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.09 2k5t n LEU 49 CO 0.63 0.33 -0.43 0.00 -1.11 0.00 0.00 177.39 176.81 2k5t s ALA 50 N -1.74 0.80 -0.03 1.96 0.00 -0.57 -0.19 121.76 121.99 2k5t s ALA 50 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.38 2k5t s ALA 50 Cb 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.01 2k5t s ALA 50 CO 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 175.76 175.86 2k5t s ALA 51 N -0.65 0.58 -0.04 0.00 0.00 -0.58 -0.57 121.76 120.49 2k5t s ALA 51 Ca -0.00 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.91 2k5t s ALA 51 Cb -0.06 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.74 2k5t s ALA 51 CO 0.00 0.02 -0.09 0.54 0.00 0.00 0.00 175.76 176.23 2k5t s VAL 52 N 0.66 0.84 -0.21 0.00 0.11 -0.42 -2.16 120.40 119.21 2k5t s VAL 52 Ca -0.08 -0.34 -0.04 0.00 -2.93 0.00 0.00 61.98 58.59 2k5t s VAL 52 Cb -0.12 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 2k5t s VAL 52 CO -0.00 0.28 -0.03 -0.13 -3.33 0.00 0.00 175.10 171.88 2k5t s ARG 53 N 0.52 3.44 -0.24 1.54 0.52 0.11 -0.29 118.95 124.55 2k5t s ARG 53 Ca -0.09 -0.60 -0.05 0.00 -0.52 0.00 0.00 55.73 54.47 2k5t s ARG 53 Cb -0.12 -3.01 -0.01 0.00 0.52 0.00 0.00 34.95 32.32 2k5t s ARG 53 CO 0.01 -0.13 0.01 0.54 0.02 0.00 0.00 175.30 175.75 2k5t s VAL 54 N 1.31 3.74 -0.71 3.52 0.11 0.20 -2.02 120.40 126.54 2k5t s VAL 54 Ca 0.04 -0.40 -0.17 0.00 -2.93 0.00 0.00 61.98 58.51 2k5t s VAL 54 Cb -0.14 -2.74 0.14 0.00 -1.53 0.00 0.00 36.38 32.10 2k5t s VAL 54 CO -0.01 0.36 0.78 -0.89 -3.33 0.00 0.00 175.10 172.02 2k5t s THR 55 N 1.53 5.04 -0.13 5.04 2.01 0.14 -0.80 115.64 128.47 2k5t s THR 55 Ca 0.06 -1.53 -0.29 0.00 0.31 0.00 0.00 61.69 60.23 2k5t s THR 55 Cb -0.15 -4.53 -0.01 0.00 0.01 0.00 0.00 72.50 67.83 2k5t s THR 55 CO -0.00 -1.15 1.00 -0.76 -0.69 0.00 0.00 174.62 173.01 2k5t s LEU 56 N 1.94 4.21 -0.79 4.42 1.43 0.14 0.18 118.68 130.21 2k5t s LEU 56 Ca 0.16 1.47 -0.02 0.00 -1.03 0.00 0.00 54.13 54.71 2k5t s LEU 56 Cb -0.17 -3.53 0.31 0.00 0.03 0.00 0.00 46.19 42.83 2k5t s LEU 56 CO -0.01 -0.48 2.14 -0.24 0.23 0.00 0.00 176.35 177.99 2k5t n SER 57 N 5.27 7.38 0.00 2.29 2.88 0.12 -4.56 113.62 127.00 2k5t n SER 57 Ca 0.09 -3.74 0.00 0.00 -1.33 0.00 0.00 58.87 53.89 2k5t n SER 57 Cb 0.48 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 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 -0.32 1.04 0.09 0.46 0.00 -1.26 -4.32 105.19 100.88 2k5t n GLY 58 Ca 0.53 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 2k5t n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k5t n THR 59 N 0.00 1.46 -4.38 2.61 -2.24 -1.26 -4.93 114.28 105.54 2k5t n THR 59 Ca 0.00 -0.81 -0.28 0.00 -2.27 0.00 0.00 64.05 60.69 2k5t n THR 59 Cb 0.00 -0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 67.35 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 -2.59 1.52 0.37 -0.78 2.02 -1.26 -4.41 118.70 113.57 2k5t s GLU 60 Ca -0.07 -1.37 -0.05 0.00 0.02 0.00 0.00 54.97 53.50 2k5t s GLU 60 Cb 0.07 -1.93 0.02 0.00 0.10 0.00 0.00 34.13 32.40 2k5t s GLU 60 CO 0.83 0.44 0.58 0.41 0.02 0.00 0.00 175.26 177.54 2k5t n GLY 61 N 0.68 1.78 3.05 -1.39 0.00 -1.04 0.13 105.19 108.40 2k5t n GLY 61 Ca -0.16 -1.52 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 2k5t n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5t s ALA 62 N -2.61 1.14 -0.38 4.61 0.00 0.13 -2.07 121.76 122.58 2k5t s ALA 62 Ca 0.26 -0.47 -0.19 0.00 0.00 0.00 0.00 51.96 51.56 2k5t s ALA 62 Cb -0.02 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.70 2k5t s ALA 62 CO 0.19 0.19 0.53 -1.17 0.00 0.00 0.00 175.76 175.50 2k5t s LEU 63 N 0.16 4.48 -0.20 0.00 0.20 0.16 0.26 118.68 123.74 2k5t s LEU 63 Ca -0.04 -0.22 -0.16 0.00 0.69 0.00 0.00 54.13 54.40 2k5t s LEU 63 Cb -0.10 -2.58 -0.08 0.00 -0.43 0.00 0.00 46.19 43.00 2k5t s LEU 63 CO 0.01 -0.57 -0.27 -0.90 -0.29 0.00 0.00 176.35 174.33 2k5t n ASP 64 N 5.84 1.91 -4.27 3.68 5.75 -0.86 -1.53 116.55 127.09 2k5t n ASP 64 Ca -0.04 0.40 -0.39 0.00 -0.01 0.00 0.00 54.79 54.74 2k5t n ASP 64 Cb 0.48 -0.80 -0.11 0.00 -1.03 0.00 0.00 41.12 39.66 2k5t n ASP 64 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2k5t s SER 65 N -6.32 5.53 -0.25 -1.12 0.01 -1.21 -4.78 113.70 105.56 2k5t s SER 65 Ca -0.28 -1.41 0.01 0.00 1.31 0.00 0.00 55.95 55.58 2k5t s SER 65 Cb 0.06 -1.95 0.06 0.00 0.21 0.00 0.00 66.02 64.41 2k5t s SER 65 CO 0.42 -0.47 -0.05 -0.22 0.41 0.00 0.00 173.24 173.32 2k5t s LEU 66 N 1.41 2.84 -0.01 2.44 2.96 -1.26 0.07 118.68 127.12 2k5t s LEU 66 Ca 0.02 -1.29 0.00 0.00 -0.22 0.00 0.00 54.13 52.65 2k5t s LEU 66 Cb -0.22 -1.26 0.01 0.00 0.50 0.00 0.00 46.19 45.22 2k5t s LEU 66 CO 0.02 -0.24 -0.00 -0.60 -1.32 0.00 0.00 176.35 174.20 2k5t s ARG 67 N 1.32 0.12 0.13 1.98 3.52 -0.92 -5.05 118.95 120.05 2k5t s ARG 67 Ca -0.05 0.01 0.07 0.00 -0.13 0.00 0.00 55.73 55.62 2k5t s ARG 67 Cb -0.19 -0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 32.97 2k5t s ARG 67 CO -0.07 -0.03 -0.03 0.08 -0.81 0.00 0.00 175.30 174.45 2k5t s VAL 68 N 0.31 3.71 0.65 7.11 1.01 -1.26 -1.53 120.40 130.40 2k5t s VAL 68 Ca -0.03 -1.26 -0.18 0.00 0.00 0.00 0.00 61.98 60.52 2k5t s VAL 68 Cb -0.05 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 2k5t s VAL 68 CO -0.01 0.02 1.13 -1.14 0.00 0.00 0.00 175.10 175.10 2k5t n ARG 69 N 0.30 0.92 -0.32 2.72 0.63 0.74 -4.79 116.66 116.85 2k5t n ARG 69 Ca -0.11 0.37 0.14 0.00 -0.92 0.00 0.00 57.85 57.33 2k5t n ARG 69 Cb 0.53 -2.36 0.37 0.00 0.45 0.00 0.00 32.46 31.46 2k5t n ARG 69 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2k5t h GLU 70 N 0.34 0.66 0.00 -0.14 4.81 -1.97 0.64 114.58 118.92 2k5t h GLU 70 Ca -0.50 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2k5t h GLU 70 Cb 1.35 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 2k5t h GLU 70 CO 0.51 0.43 -0.03 -0.24 -0.73 0.00 0.00 179.01 178.96 2k5t h VAL 71 N 0.68 0.10 -0.27 0.32 3.04 -1.98 -2.77 116.25 115.37 2k5t h VAL 71 Ca 0.54 -0.39 -0.09 0.00 -1.01 0.00 0.00 66.70 65.75 2k5t h VAL 71 Cb 0.96 1.35 -0.05 0.00 -2.01 0.00 0.00 31.29 31.53 2k5t h VAL 71 CO -0.31 0.03 -0.05 0.41 -1.01 0.00 0.00 177.57 176.64 2k5t n THR 72 N -3.18 2.38 -0.30 3.17 -1.04 0.21 -4.75 114.28 110.77 2k5t n THR 72 Ca -0.01 -2.38 0.00 0.00 -2.04 0.00 0.00 64.05 59.63 2k5t n THR 72 Cb 0.23 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 2k5t n THR 72 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2k5t n ARG 73 N -0.92 0.91 0.00 -2.82 1.74 -1.05 -3.03 116.66 111.49 2k5t n ARG 73 Ca 0.27 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 2k5t n ARG 73 Cb 0.93 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 2k5t n ARG 73 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2k5t n ARG 74 N 1.43 0.00 -3.27 5.56 0.63 -1.26 -5.11 116.66 114.64 2k5t n ARG 74 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 2k5t n ARG 74 Cb 0.46 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.29 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 0.00 0.44 0.00 -0.14 1.74 -1.17 -5.03 116.66 112.50 2k5t n ARG 75 Ca 0.00 -3.13 0.00 0.00 -0.77 0.00 0.00 57.85 53.95 2k5t n ARG 75 Cb 0.00 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 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 2.17 1.61 0.33 -0.13 0.00 -1.26 -4.67 105.19 103.24 2k5t n GLY 76 Ca 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.14 -0.92 1.61 2.07 -1.96 -0.45 116.25 116.75 2k5t h VAL 77 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2k5t h VAL 77 Cb 0.00 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 29.83 2k5t h VAL 77 CO 0.00 0.00 0.56 1.23 0.02 0.00 0.00 177.57 179.38 2k5t h GLY 78 N -0.05 1.46 0.57 2.17 0.00 -1.88 0.22 103.07 105.56 2k5t h GLY 78 Ca 0.34 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2k5t h GLY 78 CO -0.83 0.16 -0.09 -1.61 0.00 0.00 0.00 176.54 174.17 2k5t h GLN 79 N 0.91 -0.23 -0.93 4.80 4.15 -1.48 -2.75 115.11 119.58 2k5t h GLN 79 Ca 0.44 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.92 2k5t h GLN 79 Cb 0.40 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 2k5t h GLN 79 CO -0.25 0.15 0.60 -0.92 -1.93 0.00 0.00 178.83 176.48 2k5t h TYR 80 N -0.67 1.12 0.24 3.99 5.03 -1.22 -2.80 116.97 122.66 2k5t h TYR 80 Ca -0.02 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.32 2k5t h TYR 80 Cb 0.48 -0.37 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 2k5t h TYR 80 CO 0.05 0.62 -0.28 1.25 -1.32 0.00 0.00 178.16 178.48 2k5t h LEU 81 N 1.14 -0.77 -0.71 2.82 5.85 -0.52 -0.15 115.31 122.97 2k5t h LEU 81 Ca 0.38 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 59.15 2k5t h LEU 81 Cb 0.06 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2k5t h LEU 81 CO -0.14 -0.39 0.34 -0.07 -0.34 0.00 0.00 178.44 177.84 2k5t h LEU 82 N -0.57 0.93 -1.01 2.25 3.38 -1.36 0.95 115.31 119.88 2k5t h LEU 82 Ca 0.00 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2k5t h LEU 82 Cb 0.54 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2k5t h LEU 82 CO -0.09 0.80 0.25 -0.33 0.09 0.00 0.00 178.44 179.16 2k5t h GLU 83 N 0.99 0.96 -0.41 1.13 5.08 -1.27 -1.84 114.58 119.22 2k5t h GLU 83 Ca 0.24 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 2k5t h GLU 83 Cb 0.11 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2k5t h GLU 83 CO -0.03 0.79 -0.30 1.49 -1.00 0.00 0.00 179.01 179.96 2k5t h GLU 84 N 0.94 0.90 -0.46 2.33 4.57 -0.26 -2.11 114.58 120.49 2k5t h GLU 84 Ca 0.22 -0.42 0.03 0.00 -1.18 0.00 0.00 59.36 58.00 2k5t h GLU 84 Cb 0.20 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 2k5t h GLU 84 CO -0.02 1.07 0.26 0.28 -1.18 0.00 0.00 179.01 179.42 2k5t h VAL 85 N 0.76 1.02 0.00 0.32 2.07 -0.35 0.23 116.25 120.29 2k5t h VAL 85 Ca 0.08 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 2k5t h VAL 85 Cb 0.87 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2k5t h VAL 85 CO 0.08 0.09 -0.15 -0.07 0.02 0.00 0.00 177.57 177.54 2k5t h LEU 86 N 0.51 0.00 -0.21 2.57 4.07 -1.26 -1.39 115.31 119.60 2k5t h LEU 86 Ca 0.19 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.94 2k5t h LEU 86 Cb 0.04 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 2k5t h LEU 86 CO -0.10 0.15 -0.93 0.03 -1.08 0.00 0.00 178.44 176.52 2k5t h ARG 87 N 0.00 0.21 -0.01 1.13 3.08 -0.51 -3.29 114.38 114.99 2k5t h ARG 87 Ca -0.00 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 2k5t h ARG 87 Cb 0.53 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 2k5t h ARG 87 CO 0.02 1.00 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.99 2k5t h ASN 88 N 0.11 0.03 -3.87 7.04 -0.26 0.33 -3.39 115.58 115.56 2k5t h ASN 88 Ca -0.05 -0.55 -0.65 0.00 -0.56 0.00 0.00 56.30 54.49 2k5t h ASN 88 Cb 1.58 -0.01 -0.40 0.00 -1.06 0.00 0.00 38.32 38.43 2k5t h ASN 88 CO 0.14 0.57 -0.53 0.20 -1.06 0.00 0.00 177.43 176.75 2k5t s ASN 89 N -5.79 4.73 0.75 5.81 -0.87 -0.61 -5.09 114.94 113.86 2k5t s ASN 89 Ca -0.16 -3.32 -0.08 0.00 -1.57 0.00 0.00 52.86 47.72 2k5t s ASN 89 Cb 0.01 -1.69 0.08 0.00 -0.02 0.00 0.00 41.25 39.63 2k5t s ASN 89 CO 0.68 -0.20 1.08 -2.16 -2.57 0.00 0.00 177.10 173.93 2k5t s PRO 90 N -0.72 2.03 0.00 -0.60 0.05 -1.24 -4.40 135.00 130.12 2k5t s PRO 90 Ca 0.20 -0.18 0.00 0.00 0.05 0.00 0.00 61.00 61.07 2k5t s PRO 90 Cb -0.17 -2.09 0.00 0.00 0.05 0.00 0.00 34.50 32.29 2k5t s PRO 90 CO -0.07 -1.41 0.00 0.41 0.05 0.00 0.00 177.00 175.98 2k5t n GLY 91 N -3.08 1.82 3.65 0.56 0.00 -1.26 -5.03 105.19 101.85 2k5t n GLY 91 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.44 4.47 -0.04 1.61 1.01 -1.26 -4.92 120.40 118.83 2k5t s VAL 92 Ca 0.00 1.74 -0.12 0.00 0.00 0.00 0.00 61.98 63.60 2k5t s VAL 92 Cb 0.00 -4.23 -0.32 0.00 0.00 0.00 0.00 36.38 31.83 2k5t s VAL 92 CO 0.00 -0.28 0.72 0.77 0.00 0.00 0.00 175.10 176.31 2k5t h SER 93 N 8.03 0.65 -3.15 3.32 4.64 -1.79 -3.36 113.55 121.89 2k5t h SER 93 Ca -0.22 -0.93 -0.75 0.00 -0.47 0.00 0.00 61.79 59.41 2k5t h SER 93 Cb 1.08 -0.21 -0.26 0.00 -0.31 0.00 0.00 62.40 62.70 2k5t h SER 93 CO 1.00 1.77 -0.27 0.00 -0.87 0.00 0.00 176.83 178.45 2k5t s TRP 95 N 1.53 3.23 -0.19 0.00 0.52 -0.57 -2.51 118.94 120.97 2k5t s TRP 95 Ca 0.04 -1.29 -0.13 0.00 0.02 0.00 0.00 56.10 54.73 2k5t s TRP 95 Cb -0.29 -3.92 -0.05 0.00 -1.15 0.00 0.00 33.47 28.07 2k5t s TRP 95 CO 0.02 -1.15 0.28 -0.46 0.02 0.00 0.00 176.95 175.65 2k5t s TRP 96 N 1.84 3.41 -0.36 -1.98 -0.11 -0.88 0.11 118.94 120.98 2k5t s TRP 96 Ca 0.11 0.51 -0.09 0.00 1.22 0.00 0.00 56.10 57.85 2k5t s TRP 96 Cb -0.23 -2.35 0.04 0.00 -1.50 0.00 0.00 33.47 29.43 2k5t s TRP 96 CO 0.01 0.16 0.16 -1.64 -4.62 0.00 0.00 176.95 171.03 2k5t s MET 97 N 0.73 2.70 0.50 5.86 -1.94 0.93 0.40 119.30 128.47 2k5t s MET 97 Ca 0.15 -1.17 -0.20 0.00 -1.71 0.00 0.00 55.69 52.75 2k5t s MET 97 Cb -0.13 -3.61 -0.08 0.00 2.01 0.00 0.00 34.83 33.03 2k5t s MET 97 CO 0.04 -0.71 1.07 0.00 -0.01 0.00 0.00 175.02 175.41 2k5t s ALA 98 N 1.47 2.83 0.02 3.03 0.00 -0.58 -1.30 121.76 127.22 2k5t s ALA 98 Ca 0.00 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.47 2k5t s ALA 98 Cb -0.20 -3.29 -0.23 0.00 0.00 0.00 0.00 23.12 19.40 2k5t s ALA 98 CO 0.04 -0.46 1.13 0.22 0.00 0.00 0.00 175.76 176.69 2k5t h ASP 99 N 1.51 0.60 0.00 0.00 1.82 -1.89 -3.46 116.42 115.00 2k5t h ASP 99 Ca -0.50 -0.74 0.00 0.00 -0.39 0.00 0.00 57.03 55.40 2k5t h ASP 99 Cb 1.23 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.06 2k5t h ASP 99 CO 0.59 1.26 0.00 0.00 -1.61 0.00 0.00 179.24 179.48 2k5t n ALA 100 N -2.59 0.00 -0.86 -0.78 0.00 -1.26 -0.82 120.51 114.20 2k5t n ALA 100 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k5t n ALA 100 Cb 0.70 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.44 0.49 3.61 0.00 0.00 -1.26 -4.99 105.19 103.48 2k5t n GLY 101 Ca 0.00 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 2k5t n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5t s VAL 102 N -2.00 3.50 -2.00 1.61 1.01 0.00 -4.84 120.40 117.68 2k5t s VAL 102 Ca 0.00 0.53 0.28 0.00 0.00 0.00 0.00 61.98 62.79 2k5t s VAL 102 Cb 0.00 -3.60 0.79 0.00 0.00 0.00 0.00 36.38 33.57 2k5t s VAL 102 CO 0.00 -0.33 2.06 -0.62 0.00 0.00 0.00 175.10 176.21 2k5t n GLU 103 N 8.17 0.99 -0.91 2.72 1.02 -1.26 -2.11 120.64 129.26 2k5t n GLU 103 Ca 0.22 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.39 2k5t n GLU 103 Cb 0.46 -1.44 0.37 0.00 -0.02 0.00 0.00 31.44 30.81 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 -0.94 5.34 0.24 1.62 8.00 -1.26 -4.62 116.55 124.94 2k5t n ASP 104 Ca 0.21 -3.04 0.14 0.00 0.71 0.00 0.00 54.79 52.81 2k5t n ASP 104 Cb 0.10 -0.70 0.79 0.00 -0.02 0.00 0.00 41.12 41.29 2k5t n ASP 104 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2k5t h ARG 105 N 3.44 0.00 0.27 -1.24 0.11 -1.82 -0.49 114.38 114.65 2k5t h ARG 105 Ca 0.08 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.15 2k5t h ARG 105 Cb 2.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.14 2k5t h ARG 105 CO 0.55 0.00 -0.13 0.78 0.10 0.00 0.00 179.97 181.27 2k5t h GLY 106 N 0.00 -0.38 1.30 0.08 0.00 -1.87 0.31 103.07 102.50 2k5t h GLY 106 Ca 0.04 0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 2k5t h GLY 106 CO -0.00 -0.14 0.22 -2.08 0.00 0.00 0.00 176.54 174.54 2k5t h VAL 107 N -0.48 1.22 -0.42 4.60 2.07 -1.73 -2.38 116.25 119.13 2k5t h VAL 107 Ca -0.04 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 2k5t h VAL 107 Cb 0.36 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2k5t h VAL 107 CO 0.06 0.28 -0.03 0.24 0.02 0.00 0.00 177.57 178.15 2k5t h MET 108 N 0.87 0.70 -0.38 1.57 2.07 -0.87 -1.17 114.93 117.73 2k5t h MET 108 Ca 0.20 -0.19 -0.03 0.00 -2.07 0.00 0.00 59.70 57.62 2k5t h MET 108 Cb 0.21 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 29.84 2k5t h MET 108 CO -0.01 0.73 0.12 1.15 1.07 0.00 0.00 176.91 179.97 2k5t h THR 109 N 0.65 1.21 -0.78 2.22 2.02 0.12 0.42 112.91 118.78 2k5t h THR 109 Ca 0.13 -0.68 0.01 0.00 0.77 0.00 0.00 66.41 66.64 2k5t h THR 109 Cb 0.44 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 2k5t h THR 109 CO 0.02 0.24 0.51 0.00 0.37 0.00 0.00 175.52 176.66 2k5t h ALA 110 N 0.97 0.98 -0.16 6.16 0.00 -1.27 -1.21 119.26 124.74 2k5t h ALA 110 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k5t h ALA 110 Cb 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2k5t h ALA 110 CO -0.00 0.40 0.08 0.35 0.00 0.00 0.00 179.25 180.08 2k5t h PHE 111 N 1.05 0.22 -0.22 0.00 3.57 -0.76 -1.03 116.94 119.77 2k5t h PHE 111 Ca 0.28 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.80 2k5t h PHE 111 Cb -0.12 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 2k5t h PHE 111 CO -0.02 0.23 0.05 0.52 -2.23 0.00 0.00 178.31 176.86 2k5t h MET 112 N 0.14 0.13 0.00 1.11 2.86 0.16 0.61 114.93 119.95 2k5t h MET 112 Ca 0.05 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2k5t h MET 112 Cb 0.09 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 2k5t h MET 112 CO -0.01 0.09 -0.11 1.96 1.06 0.00 0.00 176.91 179.90 2k5t h GLN 113 N 0.14 0.00 0.13 1.72 4.20 -1.17 0.30 115.11 120.42 2k5t h GLN 113 Ca 0.10 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.53 2k5t h GLN 113 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2k5t h GLN 113 CO -0.13 0.11 -1.28 0.00 -0.67 0.00 0.00 178.83 176.87 2k5t h ALA 114 N 1.89 0.12 0.15 3.87 0.00 -0.56 -3.37 119.26 121.36 2k5t h ALA 114 Ca -0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 2k5t h ALA 114 Cb 0.69 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2k5t h ALA 114 CO 0.01 1.00 -0.07 1.25 0.00 0.00 0.00 179.25 181.44 2k5t h LEU 115 N 0.07 -0.17 0.00 0.00 6.46 -0.56 -3.48 115.31 117.63 2k5t h LEU 115 Ca -0.15 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 2k5t h LEU 115 Cb 1.98 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.95 2k5t h LEU 115 CO 0.20 0.40 0.00 0.61 -0.62 0.00 0.00 178.44 179.03 2k5t n GLY 116 N 0.99 0.00 3.84 3.75 0.00 0.11 -5.10 105.19 108.77 2k5t n GLY 116 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 2k5t n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5t s PHE 117 N 0.00 2.77 -0.05 1.61 0.08 0.83 -4.93 117.98 118.28 2k5t s PHE 117 Ca 0.00 -0.42 0.05 0.00 0.12 0.00 0.00 56.93 56.68 2k5t s PHE 117 Cb 0.00 -1.95 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 2k5t s PHE 117 CO 0.00 0.07 -0.20 0.99 -0.10 0.00 0.00 175.22 175.98 2k5t s THR 118 N -2.42 2.53 -0.15 0.64 2.01 0.01 -4.12 115.64 114.13 2k5t s THR 118 Ca 0.44 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 61.41 2k5t s THR 118 Cb -0.03 -1.95 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 2k5t s THR 118 CO 0.26 0.58 0.23 -0.89 -0.69 0.00 0.00 174.62 174.11 2k5t s THR 119 N -0.43 5.34 0.08 -0.82 2.01 -1.26 0.24 115.64 120.79 2k5t s THR 119 Ca 0.05 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.47 2k5t s THR 119 Cb -0.12 -3.55 -0.00 0.00 0.01 0.00 0.00 72.50 68.84 2k5t s THR 119 CO 0.02 0.46 0.02 0.00 -0.69 0.00 0.00 174.62 174.42 2k5t n GLN 120 N 3.13 1.22 -2.83 4.92 6.02 -0.09 -4.95 117.38 124.80 2k5t n GLN 120 Ca -0.15 -0.60 -0.43 0.00 -0.01 0.00 0.00 57.00 55.81 2k5t n GLN 120 Cb 0.52 0.26 -0.04 0.00 1.02 0.00 0.00 30.24 32.01 2k5t n GLN 120 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2k5t s GLN 121 N -2.28 3.48 0.00 -1.09 -0.21 -1.26 -3.42 119.66 114.88 2k5t s GLN 121 Ca 0.02 0.05 0.00 0.00 0.02 0.00 0.00 55.36 55.45 2k5t s GLN 121 Cb 0.00 -3.96 0.00 0.00 1.00 0.00 0.00 33.01 30.05 2k5t s GLN 121 CO 0.02 -1.28 0.00 0.41 -2.12 0.00 0.00 175.29 172.31 2k5t n GLY 122 N 4.98 1.05 0.00 3.09 0.00 -1.26 -5.03 105.19 108.02 2k5t n GLY 122 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.22 -0.26 3.79 -0.02 0.00 -1.22 -4.46 105.19 101.80 2k5t n GLY 123 Ca 0.00 -1.68 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.85 2.99 -0.03 1.61 0.51 -0.42 -0.91 118.94 120.84 2k5t s TRP 124 Ca 0.00 -0.16 -0.27 0.00 -2.12 0.00 0.00 56.10 53.55 2k5t s TRP 124 Cb 0.00 -1.41 0.06 0.00 -0.81 0.00 0.00 33.47 31.31 2k5t s TRP 124 CO 0.00 0.50 0.59 -2.00 -0.51 0.00 0.00 176.95 175.53 2k5t s GLU 125 N -3.83 1.00 -0.12 4.98 2.12 0.14 -0.05 118.70 122.94 2k5t s GLU 125 Ca 0.34 0.10 -0.01 0.00 0.36 0.00 0.00 54.97 55.75 2k5t s GLU 125 Cb -0.07 0.46 0.04 0.00 0.26 0.00 0.00 34.13 34.82 2k5t s GLU 125 CO 0.24 -0.32 -0.01 0.21 -0.54 0.00 0.00 175.26 174.84 2k5t s LYS 126 N -1.44 0.88 -0.49 4.30 2.20 0.12 -0.81 119.74 124.50 2k5t s LYS 126 Ca -0.10 -0.14 -0.25 0.00 -0.36 0.00 0.00 55.97 55.11 2k5t s LYS 126 Cb -0.01 -1.45 0.03 0.00 -1.51 0.00 0.00 37.83 34.89 2k5t s LYS 126 CO 0.07 -0.38 0.95 0.00 -0.36 0.00 0.00 175.35 175.62