#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k45 h ARG 2 N 0.00 0.00 -7.08 1.45 2.43 -1.98 -3.45 114.38 105.75 3k45 h ARG 2 Ca 0.00 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.63 3k45 h ARG 2 Cb 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 29.97 29.68 3k45 h ARG 2 CO 0.00 0.27 0.52 -2.14 -1.51 0.00 0.00 179.97 177.11 3k45 s PRO 3 N -2.13 2.98 -0.35 0.20 0.02 -1.26 -4.85 135.00 129.60 3k45 s PRO 3 Ca -0.15 2.00 -0.05 0.00 0.02 0.00 0.00 61.00 62.81 3k45 s PRO 3 Cb 0.02 -2.04 0.06 0.00 0.02 0.00 0.00 34.50 32.56 3k45 s PRO 3 CO 0.28 -1.24 0.12 -1.17 -0.33 0.00 0.00 177.00 174.66 3k45 s LEU 4 N -3.90 4.48 -0.43 -5.54 2.96 -0.44 -4.42 118.68 111.39 3k45 s LEU 4 Ca 0.76 -1.33 -0.21 0.00 -0.22 0.00 0.00 54.13 53.13 3k45 s LEU 4 Cb -0.35 -1.85 0.02 0.00 0.50 0.00 0.00 46.19 44.51 3k45 s LEU 4 CO 0.39 -0.37 0.66 0.20 -1.32 0.00 0.00 176.35 175.91 3k45 s ASN 5 N 1.54 6.35 0.05 3.68 0.01 -0.83 -1.77 114.94 123.98 3k45 s ASN 5 Ca -0.00 -0.22 -0.18 0.00 -0.71 0.00 0.00 52.86 51.74 3k45 s ASN 5 Cb -0.20 -2.33 -0.06 0.00 0.41 0.00 0.00 41.25 39.06 3k45 s ASN 5 CO 0.01 -0.77 0.53 0.00 -1.51 0.00 0.00 177.10 175.36 3k45 s ILE 7 N -1.08 1.21 0.11 0.00 2.07 -0.67 0.56 121.20 123.41 3k45 s ILE 7 Ca 0.28 -0.55 -0.16 0.00 -1.41 0.00 0.00 60.65 58.81 3k45 s ILE 7 Cb -0.19 -1.08 0.03 0.00 0.13 0.00 0.00 42.46 41.35 3k45 s ILE 7 CO 0.18 0.37 0.38 0.54 -1.91 0.00 0.00 174.94 174.50 3k45 s VAL 8 N 0.43 0.07 -0.09 4.00 0.11 -0.18 -4.60 120.40 120.14 3k45 s VAL 8 Ca -0.11 -0.61 0.04 0.00 -2.93 0.00 0.00 61.98 58.37 3k45 s VAL 8 Cb -0.14 -1.14 -0.01 0.00 -1.53 0.00 0.00 36.38 33.56 3k45 s VAL 8 CO 0.03 -0.34 -0.20 0.00 -3.33 0.00 0.00 175.10 171.27 3k45 s ALA 9 N -3.58 2.37 -0.02 1.54 0.00 -1.26 -0.69 121.76 120.11 3k45 s ALA 9 Ca 0.02 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.02 3k45 s ALA 9 Cb 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.25 3k45 s ALA 9 CO -0.10 0.36 -0.07 0.14 0.00 0.00 0.00 175.76 176.09 3k45 s VAL 10 N 0.00 0.59 0.92 0.00 -7.23 0.33 -4.65 120.40 110.37 3k45 s VAL 10 Ca -0.07 -0.26 -0.13 0.00 -1.81 0.00 0.00 61.98 59.71 3k45 s VAL 10 Cb -0.15 -0.54 0.15 0.00 0.56 0.00 0.00 36.38 36.40 3k45 s VAL 10 CO 0.05 0.19 1.17 -0.94 -0.31 0.00 0.00 175.10 175.27 3k45 s SER 11 N 0.20 3.44 0.56 4.85 1.04 -0.13 -0.68 113.70 122.98 3k45 s SER 11 Ca -0.03 0.79 0.25 0.00 0.48 0.00 0.00 55.95 57.44 3k45 s SER 11 Cb -0.07 -1.23 1.59 0.00 0.10 0.00 0.00 66.02 66.41 3k45 s SER 11 CO 0.00 -2.58 2.19 1.56 0.98 0.00 0.00 173.24 175.39 3k45 h GLN 12 N -1.52 0.00 -0.74 4.02 4.20 -0.85 0.12 115.11 120.34 3k45 h GLN 12 Ca -0.48 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.22 3k45 h GLN 12 Cb 1.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 3k45 h GLN 12 CO 0.57 0.00 0.01 0.27 -0.67 0.00 0.00 178.83 179.01 3k45 n ASN 13 N -4.11 4.08 -1.01 1.46 6.94 -1.26 -4.89 115.26 116.47 3k45 n ASN 13 Ca -0.02 -2.62 -0.13 0.00 -0.02 0.00 0.00 54.58 51.79 3k45 n ASN 13 Cb 0.13 -0.63 -0.06 0.00 -2.36 0.00 0.00 39.78 36.87 3k45 n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3k45 n MET 14 N 0.38 -1.11 -2.37 -3.83 2.81 0.43 -4.97 117.12 108.46 3k45 n MET 14 Ca 0.19 0.94 -0.41 0.00 -1.81 0.00 0.00 57.70 56.61 3k45 n MET 14 Cb 0.88 -5.08 -0.04 0.00 -0.71 0.00 0.00 33.22 28.28 3k45 n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3k45 s GLY 15 N -2.72 2.90 0.00 3.03 0.00 -1.25 -1.04 107.32 108.23 3k45 s GLY 15 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 44.72 45.71 3k45 s GLY 15 CO 0.00 1.72 0.00 0.29 0.00 0.00 0.00 173.10 175.11 3k45 n ILE 16 N 1.62 0.00 -3.60 0.90 -5.35 -0.43 -0.96 119.36 111.54 3k45 n ILE 16 Ca 0.01 -0.25 -0.16 0.00 -0.27 0.00 0.00 62.75 62.08 3k45 n ILE 16 Cb 0.44 0.86 -0.07 0.00 -1.74 0.00 0.00 39.64 39.13 3k45 n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3k45 s GLY 17 N -0.77 -0.44 -0.14 3.28 0.00 -1.19 -4.45 107.32 103.62 3k45 s GLY 17 Ca 0.00 0.95 -0.05 0.00 0.00 0.00 0.00 44.72 45.62 3k45 s GLY 17 CO 0.00 0.64 0.29 1.25 0.00 0.00 0.00 173.10 175.28 3k45 s LYS 18 N -1.36 0.20 -1.39 2.90 2.47 0.22 0.46 119.74 123.24 3k45 s LYS 18 Ca -0.11 0.77 0.00 0.00 -1.56 0.00 0.00 55.97 55.07 3k45 s LYS 18 Cb -0.02 0.01 0.00 0.00 -1.46 0.00 0.00 37.83 36.37 3k45 s LYS 18 CO 0.07 -0.26 0.00 0.09 0.16 0.00 0.00 175.35 175.41 3k45 n ASN 19 N 5.15 -4.09 0.00 1.43 3.02 -1.26 -1.62 115.26 117.89 3k45 n ASN 19 Ca -0.10 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 3k45 n ASN 19 Cb 0.50 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 36.06 3k45 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k45 n GLY 20 N -0.55 0.35 0.00 7.41 0.00 -1.26 -5.04 105.19 106.10 3k45 n GLY 20 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3k45 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k45 n ASP 21 N 0.00 1.65 -4.83 1.61 2.03 -0.64 -4.94 116.55 111.43 3k45 n ASP 21 Ca 0.00 -0.97 -0.33 0.00 0.52 0.00 0.00 54.79 54.01 3k45 n ASP 21 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 3k45 n ASP 21 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3k45 s LEU 22 N 0.00 4.02 0.46 -2.67 1.43 -1.26 -0.61 118.68 120.06 3k45 s LEU 22 Ca 0.00 1.55 0.25 0.00 -1.03 0.00 0.00 54.13 54.90 3k45 s LEU 22 Cb 0.00 -4.32 1.08 0.00 0.03 0.00 0.00 46.19 42.99 3k45 s LEU 22 CO 0.00 -0.27 1.90 -0.65 0.23 0.00 0.00 176.35 177.56 3k45 h PRO 23 N 2.16 0.00 -6.18 1.29 0.11 -1.85 -3.41 132.00 124.12 3k45 h PRO 23 Ca -0.48 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.12 3k45 h PRO 23 Cb 1.18 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 3k45 h PRO 23 CO 0.63 0.20 -0.48 1.67 -0.21 0.00 0.00 178.00 179.81 3k45 s TRP 24 N -3.83 2.90 0.91 0.65 -2.14 -1.26 -4.76 118.94 111.41 3k45 s TRP 24 Ca -0.01 -0.28 -0.11 0.00 2.66 0.00 0.00 56.10 58.36 3k45 s TRP 24 Cb 0.11 -1.68 0.14 0.00 -3.10 0.00 0.00 33.47 28.94 3k45 s TRP 24 CO 0.62 0.29 1.09 -1.25 -2.66 0.00 0.00 176.95 175.04 3k45 s PRO 25 N -3.93 1.14 0.21 3.25 0.04 -1.26 -4.88 135.00 129.57 3k45 s PRO 25 Ca 0.39 0.92 -0.32 0.00 0.04 0.00 0.00 61.00 62.02 3k45 s PRO 25 Cb -0.06 -1.79 -0.12 0.00 0.04 0.00 0.00 34.50 32.57 3k45 s PRO 25 CO 0.25 -2.35 1.68 -2.30 0.04 0.00 0.00 177.00 174.33 3k45 n PRO 26 N -3.97 2.66 -3.61 0.56 -0.02 -1.26 -4.93 135.00 124.43 3k45 n PRO 26 Ca 0.07 0.96 -0.39 0.00 -2.02 0.00 0.00 63.50 62.11 3k45 n PRO 26 Cb 0.55 -2.78 -0.08 0.00 -0.02 0.00 0.00 33.50 31.16 3k45 n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k45 s LEU 27 N 0.96 5.65 0.35 2.45 1.43 -1.26 -4.95 118.68 123.30 3k45 s LEU 27 Ca 0.75 -2.56 0.08 0.00 -1.03 0.00 0.00 54.13 51.37 3k45 s LEU 27 Cb -0.54 -1.96 0.65 0.00 0.03 0.00 0.00 46.19 44.38 3k45 s LEU 27 CO 0.35 -0.49 1.83 0.08 0.23 0.00 0.00 176.35 178.35 3k45 h ARG 28 N 7.57 0.24 -0.27 1.70 -0.00 -1.99 -0.88 114.38 120.75 3k45 h ARG 28 Ca -0.04 -0.08 -0.19 0.00 -0.00 0.00 0.00 59.98 59.67 3k45 h ARG 28 Cb 1.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.95 3k45 h ARG 28 CO 0.75 0.47 -0.59 -0.91 -0.00 0.00 0.00 179.97 179.69 3k45 h ASN 29 N 0.22 0.98 -0.73 0.08 2.35 -2.00 -0.71 115.58 115.78 3k45 h ASN 29 Ca 0.04 -0.55 0.04 0.00 -0.55 0.00 0.00 56.30 55.28 3k45 h ASN 29 Cb 0.54 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.58 3k45 h ASN 29 CO 0.04 1.35 0.45 -0.08 -1.65 0.00 0.00 177.43 177.54 3k45 h GLU 30 N 0.65 0.83 -0.40 0.81 4.22 -1.88 -2.55 114.58 116.26 3k45 h GLU 30 Ca 0.00 -0.05 -0.07 0.00 0.08 0.00 0.00 59.36 59.32 3k45 h GLU 30 Cb 1.21 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 3k45 h GLU 30 CO 0.13 0.55 -0.04 0.35 -2.18 0.00 0.00 179.01 177.82 3k45 h PHE 31 N 0.86 0.70 -0.52 0.92 3.57 -0.87 -1.66 116.94 119.94 3k45 h PHE 31 Ca 0.30 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 3k45 h PHE 31 Cb 0.08 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3k45 h PHE 31 CO -0.05 0.68 0.30 0.87 -2.23 0.00 0.00 178.31 177.89 3k45 h LYS 32 N 0.61 0.70 -0.19 1.11 1.57 -0.75 0.18 116.57 119.81 3k45 h LYS 32 Ca 0.12 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3k45 h LYS 32 Cb 0.44 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3k45 h LYS 32 CO 0.02 0.50 -0.19 -0.92 -0.57 0.00 0.00 179.45 178.28 3k45 h TYR 33 N 0.71 0.56 -0.57 -1.35 5.03 -0.99 0.72 116.97 121.07 3k45 h TYR 33 Ca 0.19 -0.17 0.06 0.00 2.58 0.00 0.00 58.73 61.39 3k45 h TYR 33 Cb -0.01 -0.12 -0.06 0.00 1.55 0.00 0.00 36.73 38.09 3k45 h TYR 33 CO 0.00 0.83 0.27 0.35 -1.32 0.00 0.00 178.16 178.29 3k45 h PHE 34 N 0.12 0.48 0.12 -3.82 3.57 -0.65 -0.75 116.94 116.02 3k45 h PHE 34 Ca 0.03 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3k45 h PHE 34 Cb 0.74 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.35 3k45 h PHE 34 CO 0.08 0.20 -0.06 1.96 -2.23 0.00 0.00 178.31 178.26 3k45 h GLN 35 N 0.50 -0.16 -0.16 1.11 1.08 -0.48 -0.76 115.11 116.24 3k45 h GLN 35 Ca 0.27 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.51 3k45 h GLN 35 Cb 0.23 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 3k45 h GLN 35 CO -0.21 -0.08 -0.05 -0.09 -0.95 0.00 0.00 178.83 177.45 3k45 h ARG 36 N -0.21 -0.02 -0.08 1.46 2.43 -0.71 -0.69 114.38 116.56 3k45 h ARG 36 Ca -0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3k45 h ARG 36 Cb 0.16 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3k45 h ARG 36 CO 0.03 -0.01 -0.01 0.52 -1.51 0.00 0.00 179.97 178.98 3k45 h MET 37 N -0.02 0.15 0.00 0.20 2.86 -1.04 -1.86 114.93 115.22 3k45 h MET 37 Ca 0.08 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3k45 h MET 37 Cb 0.14 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 3k45 h MET 37 CO -0.18 0.46 -0.14 1.79 1.06 0.00 0.00 176.91 179.90 3k45 h THR 38 N -0.17 0.39 0.01 2.22 1.35 -1.10 -3.29 112.91 112.32 3k45 h THR 38 Ca 0.02 -0.85 -0.32 0.00 -0.55 0.00 0.00 66.41 64.71 3k45 h THR 38 Cb 0.40 1.62 -0.05 0.00 -1.73 0.00 0.00 68.15 68.39 3k45 h THR 38 CO 0.01 0.14 -1.94 0.41 -0.25 0.00 0.00 175.52 173.89 3k45 n THR 39 N -3.33 1.57 -2.50 6.82 -1.04 -0.27 -4.61 114.28 110.91 3k45 n THR 39 Ca -0.00 -0.79 -0.41 0.00 -2.04 0.00 0.00 64.05 60.81 3k45 n THR 39 Cb 0.36 -0.98 -0.03 0.00 -1.82 0.00 0.00 70.33 67.86 3k45 n THR 39 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3k45 s THR 40 N -2.56 3.70 0.73 12.58 2.01 -0.71 -4.49 115.64 126.90 3k45 s THR 40 Ca -0.09 0.42 -0.12 0.00 0.31 0.00 0.00 61.69 62.22 3k45 s THR 40 Cb 0.07 -4.82 0.03 0.00 0.01 0.00 0.00 72.50 67.79 3k45 s THR 40 CO 0.81 -1.74 1.11 -0.94 -0.69 0.00 0.00 174.62 173.18 3k45 s SER 41 N 4.09 5.26 0.00 3.53 1.04 -1.26 -4.96 113.70 121.39 3k45 s SER 41 Ca 0.38 1.06 0.25 0.00 0.48 0.00 0.00 55.95 58.12 3k45 s SER 41 Cb -0.08 -1.80 0.47 0.00 0.10 0.00 0.00 66.02 64.71 3k45 s SER 41 CO 0.16 -1.45 1.38 -1.54 0.98 0.00 0.00 173.24 172.77 3k45 n SER 42 N -3.07 1.02 -3.76 7.02 3.41 -1.26 -4.83 113.62 112.16 3k45 n SER 42 Ca 0.07 -0.81 -0.17 0.00 -0.26 0.00 0.00 58.87 57.69 3k45 n SER 42 Cb 0.58 0.31 -0.17 0.00 -0.26 0.00 0.00 64.21 64.67 3k45 n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3k45 s VAL 43 N -2.69 0.02 0.18 -3.33 1.01 -1.26 -5.12 120.40 109.21 3k45 s VAL 43 Ca 0.18 0.23 -0.32 0.00 0.00 0.00 0.00 61.98 62.07 3k45 s VAL 43 Cb 0.18 -0.18 -0.12 0.00 0.00 0.00 0.00 36.38 36.26 3k45 s VAL 43 CO 0.62 0.14 1.77 -1.61 0.00 0.00 0.00 175.10 176.01 3k45 s GLU 44 N 1.40 4.12 0.00 2.72 8.01 -1.26 -2.32 118.70 131.38 3k45 s GLU 44 Ca -0.05 2.62 0.00 0.00 0.01 0.00 0.00 54.97 57.55 3k45 s GLU 44 Cb -0.13 -3.24 0.00 0.00 -4.31 0.00 0.00 34.13 26.45 3k45 s GLU 44 CO -0.03 -0.79 0.00 0.41 0.01 0.00 0.00 175.26 174.86 3k45 n GLY 45 N 4.08 0.41 3.54 -1.39 0.00 -1.26 -5.06 105.19 105.50 3k45 n GLY 45 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3k45 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k45 s LYS 46 N -0.87 2.36 0.11 1.61 1.02 -0.98 -4.74 119.74 118.25 3k45 s LYS 46 Ca 0.00 -0.82 0.04 0.00 0.02 0.00 0.00 55.97 55.21 3k45 s LYS 46 Cb 0.00 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 3k45 s LYS 46 CO 0.00 0.58 0.10 -0.65 -0.92 0.00 0.00 175.35 174.46 3k45 s GLN 47 N -1.40 2.88 0.82 1.68 -0.21 -0.18 -4.73 119.66 118.51 3k45 s GLN 47 Ca 0.16 -0.77 -0.11 0.00 0.02 0.00 0.00 55.36 54.66 3k45 s GLN 47 Cb -0.11 -2.69 0.08 0.00 1.00 0.00 0.00 33.01 31.29 3k45 s GLN 47 CO 0.06 0.53 1.10 -0.80 -2.12 0.00 0.00 175.29 174.06 3k45 s ASN 48 N -2.67 4.30 -0.01 5.90 0.01 -1.26 -0.77 114.94 120.44 3k45 s ASN 48 Ca 0.30 1.36 0.03 0.00 -0.71 0.00 0.00 52.86 53.83 3k45 s ASN 48 Cb -0.11 -2.08 -0.01 0.00 0.41 0.00 0.00 41.25 39.46 3k45 s ASN 48 CO 0.22 -2.10 -0.09 -0.22 -1.51 0.00 0.00 177.10 173.41 3k45 s LEU 49 N -5.86 2.01 -0.06 0.60 0.20 0.07 -1.28 118.68 114.36 3k45 s LEU 49 Ca 0.61 -0.16 0.03 0.00 0.69 0.00 0.00 54.13 55.30 3k45 s LEU 49 Cb -0.15 -0.46 -0.03 0.00 -0.43 0.00 0.00 46.19 45.13 3k45 s LEU 49 CO 0.55 0.11 -0.14 0.68 -0.29 0.00 0.00 176.35 177.26 3k45 s VAL 50 N -0.19 3.11 -0.09 1.68 -7.23 0.40 -0.40 120.40 117.68 3k45 s VAL 50 Ca 0.03 -0.70 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 3k45 s VAL 50 Cb -0.04 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 3k45 s VAL 50 CO -0.00 0.59 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.61 3k45 s ILE 51 N -0.68 3.04 0.06 -0.62 1.01 0.26 -0.94 121.20 123.34 3k45 s ILE 51 Ca 0.10 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.95 3k45 s ILE 51 Cb -0.11 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.14 3k45 s ILE 51 CO 0.01 0.56 0.23 0.00 0.00 0.00 0.00 174.94 175.73 3k45 s MET 52 N -0.17 0.80 0.91 2.79 0.23 -0.59 -1.80 119.30 121.46 3k45 s MET 52 Ca -0.00 -0.74 -0.11 0.00 -1.03 0.00 0.00 55.69 53.80 3k45 s MET 52 Cb -0.13 0.33 0.13 0.00 -1.53 0.00 0.00 34.83 33.63 3k45 s MET 52 CO 0.03 -0.25 1.09 0.20 -2.03 0.00 0.00 175.02 174.06 3k45 s GLY 53 N -2.43 1.62 0.19 3.16 0.00 0.37 -1.06 107.32 109.17 3k45 s GLY 53 Ca -0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 44.72 44.57 3k45 s GLY 53 CO -0.07 0.46 1.78 -0.09 0.00 0.00 0.00 173.10 175.17 3k45 h ARG 54 N -1.60 0.99 -0.32 2.90 1.12 -1.77 -1.40 114.38 114.30 3k45 h ARG 54 Ca -0.50 -0.15 -0.06 0.00 -1.11 0.00 0.00 59.98 58.16 3k45 h ARG 54 Cb 1.28 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 31.06 3k45 h ARG 54 CO 0.54 0.78 -0.04 0.87 -3.11 0.00 0.00 179.97 179.01 3k45 h LYS 55 N 0.96 0.59 -0.52 0.20 1.57 -1.93 -2.22 116.57 115.22 3k45 h LYS 55 Ca 0.24 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3k45 h LYS 55 Cb 0.12 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3k45 h LYS 55 CO -0.03 0.75 0.29 1.15 -0.57 0.00 0.00 179.45 181.05 3k45 h THR 56 N 0.38 1.02 -0.12 -0.16 2.02 -1.86 0.51 112.91 114.71 3k45 h THR 56 Ca 0.09 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.11 3k45 h THR 56 Cb 0.51 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 3k45 h THR 56 CO 0.02 0.11 -0.28 -0.25 0.37 0.00 0.00 175.52 175.49 3k45 h TRP 57 N 0.58 -0.75 0.00 3.16 2.91 -1.01 -1.68 115.95 119.15 3k45 h TRP 57 Ca 0.22 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.27 3k45 h TRP 57 Cb 0.06 0.35 0.00 0.00 -0.51 0.00 0.00 29.16 29.06 3k45 h TRP 57 CO -0.08 -0.36 0.00 0.74 -1.03 0.00 0.00 178.44 177.71 3k45 h PHE 58 N -0.35 0.00 0.00 2.65 -1.00 -1.11 -2.54 116.94 114.58 3k45 h PHE 58 Ca 0.10 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.77 3k45 h PHE 58 Cb 0.50 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.04 3k45 h PHE 58 CO -0.36 0.00 -0.51 0.66 -1.61 0.00 0.00 178.31 176.49 3k45 h SER 59 N 0.00 0.00 -2.96 2.17 4.64 0.03 -3.44 113.55 113.98 3k45 h SER 59 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3k45 h SER 59 Cb 0.44 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.56 3k45 h SER 59 CO 0.00 0.51 0.76 -0.63 -0.87 0.00 0.00 176.83 176.60 3k45 s ILE 60 N -3.63 3.17 0.13 0.95 1.01 -0.96 -4.91 121.20 116.96 3k45 s ILE 60 Ca -0.01 0.83 -0.35 0.00 0.00 0.00 0.00 60.65 61.13 3k45 s ILE 60 Cb 0.12 -3.53 -0.16 0.00 0.01 0.00 0.00 42.46 38.89 3k45 s ILE 60 CO 0.73 0.06 1.27 -2.65 0.00 0.00 0.00 174.94 174.35 3k45 n PRO 61 N 3.99 1.20 -0.21 2.79 -0.02 -1.26 -4.83 135.00 136.65 3k45 n PRO 61 Ca 0.12 0.43 0.17 0.00 -2.02 0.00 0.00 63.50 62.19 3k45 n PRO 61 Cb 0.41 -2.01 0.49 0.00 -0.02 0.00 0.00 33.50 32.38 3k45 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3k45 h GLU 62 N 4.06 0.43 0.00 -0.52 4.81 -1.91 0.14 114.58 121.59 3k45 h GLU 62 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3k45 h GLU 62 Cb 1.34 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3k45 h GLU 62 CO 0.75 0.28 0.00 0.36 -0.73 0.00 0.00 179.01 179.67 3k45 n LYS 63 N -4.50 0.17 -0.31 1.92 0.00 -1.26 -2.09 118.16 112.09 3k45 n LYS 63 Ca 0.17 0.51 0.07 0.00 -0.00 0.00 0.00 58.31 59.06 3k45 n LYS 63 Cb 0.59 -1.90 0.20 0.00 -0.00 0.00 0.00 35.03 33.92 3k45 n LYS 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3k45 n ASN 64 N -2.24 3.40 -4.60 -5.58 3.02 0.48 -4.99 115.26 104.76 3k45 n ASN 64 Ca 0.01 -2.46 -0.32 0.00 -0.03 0.00 0.00 54.58 51.77 3k45 n ASN 64 Cb 0.15 -0.38 -0.10 0.00 -0.61 0.00 0.00 39.78 38.84 3k45 n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3k45 s ARG 65 N -1.83 2.58 0.99 3.52 0.52 -0.89 -3.66 118.95 120.18 3k45 s ARG 65 Ca 0.32 -0.70 -0.12 0.00 -0.52 0.00 0.00 55.73 54.71 3k45 s ARG 65 Cb 0.22 -2.52 0.18 0.00 0.52 0.00 0.00 34.95 33.36 3k45 s ARG 65 CO 0.13 0.61 1.08 -1.25 0.02 0.00 0.00 175.30 175.89 3k45 s PRO 66 N -1.36 0.48 0.07 3.54 0.04 -1.26 -4.98 135.00 131.53 3k45 s PRO 66 Ca 0.17 0.80 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 3k45 s PRO 66 Cb -0.11 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.61 3k45 s PRO 66 CO 0.07 -2.77 1.93 1.28 0.04 0.00 0.00 177.00 177.55 3k45 n LEU 67 N -4.24 4.14 -4.76 -3.56 4.77 -1.24 -4.88 117.00 107.23 3k45 n LEU 67 Ca 0.06 0.93 -0.38 0.00 -0.03 0.00 0.00 56.01 56.59 3k45 n LEU 67 Cb 0.55 -1.54 0.02 0.00 -2.33 0.00 0.00 43.42 40.12 3k45 n LEU 67 CO 0.56 0.20 0.94 -1.59 -1.33 0.00 0.00 177.39 176.17 3k45 s LYS 68 N 3.82 3.52 -2.11 3.23 0.00 -1.26 -3.15 119.74 123.78 3k45 s LYS 68 Ca 0.86 2.11 0.00 0.00 0.00 0.00 0.00 55.97 58.94 3k45 s LYS 68 Cb -0.45 -2.43 0.00 0.00 0.00 0.00 0.00 37.83 34.96 3k45 s LYS 68 CO 0.40 -0.85 0.00 -0.25 0.00 0.00 0.00 175.35 174.65 3k45 n ASP 69 N -0.59 -5.51 -4.18 0.03 8.00 -1.26 -4.97 116.55 108.07 3k45 n ASP 69 Ca 0.08 0.44 -0.18 0.00 0.71 0.00 0.00 54.79 55.84 3k45 n ASP 69 Cb 0.45 -4.77 -0.12 0.00 -0.02 0.00 0.00 41.12 36.67 3k45 n ASP 69 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3k45 s ARG 70 N -3.90 0.85 -0.06 -1.24 0.52 -1.19 -4.48 118.95 109.46 3k45 s ARG 70 Ca 0.00 -1.03 -0.29 0.00 -0.52 0.00 0.00 55.73 53.89 3k45 s ARG 70 Cb 0.00 -0.80 -0.02 0.00 0.52 0.00 0.00 34.95 34.65 3k45 s ARG 70 CO 0.00 0.17 0.97 0.42 0.02 0.00 0.00 175.30 176.87 3k45 s ILE 71 N -1.57 4.85 -0.24 1.52 1.01 -0.40 -4.81 121.20 121.55 3k45 s ILE 71 Ca 0.01 1.99 -0.07 0.00 0.00 0.00 0.00 60.65 62.58 3k45 s ILE 71 Cb -0.08 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 3k45 s ILE 71 CO 0.02 0.10 0.05 0.20 0.00 0.00 0.00 174.94 175.30 3k45 s ASN 72 N 1.04 5.00 -0.13 3.58 0.02 -1.26 -0.45 114.94 122.73 3k45 s ASN 72 Ca 0.49 -0.22 -0.01 0.00 -1.02 0.00 0.00 52.86 52.09 3k45 s ASN 72 Cb -0.19 -1.89 -0.02 0.00 0.02 0.00 0.00 41.25 39.17 3k45 s ASN 72 CO 0.22 -0.02 -0.09 -0.63 0.02 0.00 0.00 177.10 176.60 3k45 s ILE 73 N 1.50 3.40 -0.13 0.60 1.01 -0.11 -1.48 121.20 126.00 3k45 s ILE 73 Ca 0.06 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 3k45 s ILE 73 Cb -0.15 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 3k45 s ILE 73 CO 0.02 0.52 -0.04 -0.69 0.00 0.00 0.00 174.94 174.76 3k45 s VAL 74 N 0.17 3.90 -0.13 2.92 1.01 -0.51 -1.54 120.40 126.22 3k45 s VAL 74 Ca -0.05 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 3k45 s VAL 74 Cb -0.15 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3k45 s VAL 74 CO 0.04 0.53 0.46 -0.76 0.00 0.00 0.00 175.10 175.37 3k45 s LEU 75 N -0.07 4.25 -0.27 3.92 1.43 -0.22 -1.49 118.68 126.23 3k45 s LEU 75 Ca 0.02 0.76 -0.24 0.00 -1.03 0.00 0.00 54.13 53.63 3k45 s LEU 75 Cb -0.13 -2.66 0.08 0.00 0.03 0.00 0.00 46.19 43.51 3k45 s LEU 75 CO 0.03 -0.01 0.76 -0.55 0.23 0.00 0.00 176.35 176.80 3k45 s SER 76 N 0.68 -0.73 0.06 2.29 0.15 -0.48 -2.08 113.70 113.58 3k45 s SER 76 Ca 0.25 1.38 0.23 0.00 0.70 0.00 0.00 55.95 58.50 3k45 s SER 76 Cb -0.15 1.39 0.02 0.00 -1.71 0.00 0.00 66.02 65.58 3k45 s SER 76 CO 0.09 -0.24 1.00 0.54 1.20 0.00 0.00 173.24 175.84 3k45 n ARG 77 N 2.78 0.33 -0.08 5.44 1.74 -1.26 -3.91 116.66 121.70 3k45 n ARG 77 Ca -0.14 -0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.82 3k45 n ARG 77 Cb 0.55 -1.61 -0.08 0.00 -1.02 0.00 0.00 32.46 30.31 3k45 n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3k45 n GLU 78 N -2.03 0.49 -1.85 5.56 1.02 -1.26 -4.97 120.64 117.61 3k45 n GLU 78 Ca 0.01 0.09 -0.39 0.00 -0.02 0.00 0.00 57.16 56.86 3k45 n GLU 78 Cb 0.45 -1.33 0.03 0.00 -0.02 0.00 0.00 31.44 30.57 3k45 n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3k45 s LEU 79 N -5.89 3.96 -0.02 -4.62 1.43 -1.26 -4.93 118.68 107.35 3k45 s LEU 79 Ca -0.21 2.76 0.13 0.00 -1.03 0.00 0.00 54.13 55.78 3k45 s LEU 79 Cb 0.06 -4.15 -0.20 0.00 0.03 0.00 0.00 46.19 41.93 3k45 s LEU 79 CO 0.38 -1.36 0.26 0.29 0.23 0.00 0.00 176.35 176.16 3k45 n LYS 80 N -0.67 0.50 -4.39 1.70 4.01 -1.26 -4.94 118.16 113.11 3k45 n LYS 80 Ca 0.08 -0.11 -0.25 0.00 -0.51 0.00 0.00 58.31 57.52 3k45 n LYS 80 Cb 0.44 -1.30 -0.13 0.00 -0.51 0.00 0.00 35.03 33.53 3k45 n LYS 80 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3k45 s GLU 81 N -2.85 1.24 0.31 1.97 2.02 -1.26 -5.09 118.70 115.04 3k45 s GLU 81 Ca -0.05 -1.14 -0.29 0.00 0.02 0.00 0.00 54.97 53.51 3k45 s GLU 81 Cb 0.08 -1.50 -0.12 0.00 0.10 0.00 0.00 34.13 32.68 3k45 s GLU 81 CO 0.53 0.36 1.36 -2.30 0.02 0.00 0.00 175.26 175.23 3k45 n PRO 82 N 1.23 2.18 -1.48 0.39 -0.02 -1.26 -4.92 135.00 131.12 3k45 n PRO 82 Ca -0.19 0.77 -0.38 0.00 -2.02 0.00 0.00 63.50 61.69 3k45 n PRO 82 Cb 0.53 -2.40 0.05 0.00 -0.02 0.00 0.00 33.50 31.66 3k45 n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3k45 n PRO 83 N 1.13 0.58 -1.65 0.52 -0.02 -1.26 -4.84 135.00 129.44 3k45 n PRO 83 Ca 0.07 0.23 -0.48 0.00 -2.02 0.00 0.00 63.50 61.30 3k45 n PRO 83 Cb 0.35 -1.84 -0.05 0.00 -0.02 0.00 0.00 33.50 31.94 3k45 n PRO 83 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3k45 n ARG 84 N -0.42 1.91 0.00 -0.52 0.00 -1.26 -1.18 116.66 115.19 3k45 n ARG 84 Ca 0.12 0.69 0.00 0.00 -0.00 0.00 0.00 57.85 58.66 3k45 n ARG 84 Cb 0.48 -2.44 0.00 0.00 -0.00 0.00 0.00 32.46 30.50 3k45 n ARG 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3k45 n GLY 85 N 3.33 3.24 3.77 2.89 0.00 -1.26 -4.87 105.19 112.28 3k45 n GLY 85 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3k45 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k45 s ALA 86 N -2.55 3.27 0.08 4.61 0.00 -0.32 -4.25 121.76 122.59 3k45 s ALA 86 Ca 0.00 0.64 -0.13 0.00 0.00 0.00 0.00 51.96 52.47 3k45 s ALA 86 Cb 0.00 -3.23 -0.23 0.00 0.00 0.00 0.00 23.12 19.66 3k45 s ALA 86 CO 0.00 0.09 1.19 0.45 0.00 0.00 0.00 175.76 177.48 3k45 h HIS 87 N 3.54 0.99 -3.76 0.00 3.86 -1.57 -3.46 115.15 114.75 3k45 h HIS 87 Ca -0.46 -0.56 -0.15 0.00 -1.16 0.00 0.00 60.37 58.04 3k45 h HIS 87 Cb 1.20 -0.11 -0.20 0.00 1.06 0.00 0.00 27.41 29.37 3k45 h HIS 87 CO 0.60 1.40 -0.57 -0.06 0.86 0.00 0.00 177.93 180.16 3k45 s PHE 88 N -3.24 0.17 -0.05 2.45 0.08 -1.03 -5.03 117.98 111.33 3k45 s PHE 88 Ca -0.09 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.60 3k45 s PHE 88 Cb 0.07 -0.13 -0.03 0.00 -0.57 0.00 0.00 43.02 42.36 3k45 s PHE 88 CO 0.92 -0.28 -0.14 -1.17 -0.10 0.00 0.00 175.22 174.44 3k45 s LEU 89 N -1.67 2.73 0.03 -0.37 2.96 -1.26 -1.42 118.68 119.67 3k45 s LEU 89 Ca -0.12 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3k45 s LEU 89 Cb -0.06 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3k45 s LEU 89 CO -0.01 0.34 -0.12 0.00 -1.32 0.00 0.00 176.35 175.24 3k45 s ALA 90 N -0.67 0.95 -1.88 5.97 0.00 -0.55 -4.96 121.76 120.62 3k45 s ALA 90 Ca 0.10 -0.70 0.27 0.00 0.00 0.00 0.00 51.96 51.63 3k45 s ALA 90 Cb -0.11 -0.14 0.93 0.00 0.00 0.00 0.00 23.12 23.80 3k45 s ALA 90 CO 0.01 0.17 1.67 0.36 0.00 0.00 0.00 175.76 177.97 3k45 n LYS 91 N 2.06 0.97 -3.51 0.00 2.85 -1.25 -1.39 118.16 117.89 3k45 n LYS 91 Ca -0.18 -0.52 -0.14 0.00 -1.05 0.00 0.00 58.31 56.43 3k45 n LYS 91 Cb 0.55 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.40 3k45 n LYS 91 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3k45 s SER 92 N -2.39 -0.52 0.23 -5.58 1.04 -1.26 -4.52 113.70 100.71 3k45 s SER 92 Ca 0.28 0.16 -0.07 0.00 0.48 0.00 0.00 55.95 56.80 3k45 s SER 92 Cb 0.20 0.54 0.24 0.00 0.10 0.00 0.00 66.02 67.10 3k45 s SER 92 CO 0.47 -0.81 1.90 0.25 0.98 0.00 0.00 173.24 176.03 3k45 h LEU 93 N 2.47 0.99 -0.34 2.42 5.85 -2.00 -1.97 115.31 122.73 3k45 h LEU 93 Ca -0.32 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.41 3k45 h LEU 93 Cb 1.24 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3k45 h LEU 93 CO 0.40 0.70 0.17 0.44 -0.34 0.00 0.00 178.44 179.81 3k45 h ASP 94 N 1.16 0.25 -0.64 1.25 3.32 -1.99 0.48 116.42 120.26 3k45 h ASP 94 Ca 0.34 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.48 3k45 h ASP 94 Cb -0.07 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.38 3k45 h ASP 94 CO -0.09 0.19 0.30 0.44 -1.72 0.00 0.00 179.24 178.36 3k45 h ASP 95 N 0.35 0.39 -0.37 6.45 5.19 -1.89 0.87 116.42 127.40 3k45 h ASP 95 Ca 0.14 0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.55 3k45 h ASP 95 Cb 0.05 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 3k45 h ASP 95 CO -0.09 0.23 0.00 0.00 -3.12 0.00 0.00 179.24 176.27 3k45 h ALA 96 N 1.39 0.50 -0.30 3.45 0.00 -0.54 -0.33 119.26 123.44 3k45 h ALA 96 Ca 0.31 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3k45 h ALA 96 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3k45 h ALA 96 CO -0.25 0.27 -0.24 -0.07 0.00 0.00 0.00 179.25 178.97 3k45 h LEU 97 N 0.48 0.59 -0.55 0.00 3.38 -0.56 -1.63 115.31 117.01 3k45 h LEU 97 Ca 0.11 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3k45 h LEU 97 Cb 0.46 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3k45 h LEU 97 CO 0.02 0.82 0.11 -0.09 0.09 0.00 0.00 178.44 179.38 3k45 h ARG 98 N 0.51 0.91 -0.21 1.13 2.43 -0.51 -3.04 114.38 115.60 3k45 h ARG 98 Ca 0.07 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3k45 h ARG 98 Cb 0.68 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 3k45 h ARG 98 CO 0.05 0.86 0.08 1.25 -1.51 0.00 0.00 179.97 180.71 3k45 h LEU 99 N 0.80 0.11 -1.95 3.80 5.85 -0.55 -2.70 115.31 120.68 3k45 h LEU 99 Ca 0.17 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.02 3k45 h LEU 99 Cb 0.38 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3k45 h LEU 99 CO 0.01 0.09 0.29 0.40 -0.34 0.00 0.00 178.44 178.89 3k45 h ILE 100 N 0.19 0.82 -0.02 4.05 2.04 -1.21 -1.25 117.51 122.13 3k45 h ILE 100 Ca 0.09 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3k45 h ILE 100 Cb 0.05 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3k45 h ILE 100 CO -0.08 0.01 0.00 -0.62 0.00 0.00 0.00 178.15 177.46 3k45 n GLU 101 N -4.43 1.36 -2.34 2.37 4.71 -1.02 -4.74 120.64 116.56 3k45 n GLU 101 Ca 0.07 -0.53 -0.39 0.00 -0.01 0.00 0.00 57.16 56.30 3k45 n GLU 101 Cb 0.45 -1.47 -0.03 0.00 -1.01 0.00 0.00 31.44 29.38 3k45 n GLU 101 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3k45 s GLN 102 N -1.99 4.18 0.54 3.49 -1.52 -0.48 -4.90 119.66 119.00 3k45 s GLN 102 Ca 0.41 1.82 0.24 0.00 -1.95 0.00 0.00 55.36 55.88 3k45 s GLN 102 Cb 0.21 -2.77 1.52 0.00 -0.22 0.00 0.00 33.01 31.74 3k45 s GLN 102 CO 0.34 -0.20 2.17 -1.00 -0.25 0.00 0.00 175.29 176.35 3k45 h PRO 103 N 2.86 0.00 -0.41 2.91 0.13 -1.91 -0.55 132.00 135.03 3k45 h PRO 103 Ca -0.48 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.77 3k45 h PRO 103 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 3k45 h PRO 103 CO 0.63 0.04 0.35 -0.44 -0.23 0.00 0.00 178.00 178.35 3k45 h ASP 104 N 0.00 0.00 -0.02 1.44 5.19 -1.94 -2.21 116.42 118.88 3k45 h ASP 104 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3k45 h ASP 104 Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 3k45 h ASP 104 CO 0.01 0.00 0.00 -0.11 -3.12 0.00 0.00 179.24 176.02 3k45 n LEU 105 N -4.07 1.78 -0.28 1.55 7.94 -0.22 -4.71 117.00 118.99 3k45 n LEU 105 Ca 0.07 -1.04 -0.05 0.00 -1.11 0.00 0.00 56.01 53.87 3k45 n LEU 105 Cb 0.54 -0.01 0.06 0.00 0.53 0.00 0.00 43.42 44.54 3k45 n LEU 105 CO 0.32 0.36 1.10 0.00 -1.11 0.00 0.00 177.39 178.06 3k45 h ALA 106 N 1.73 0.98 -0.44 1.96 0.00 -1.34 -0.78 119.26 121.36 3k45 h ALA 106 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3k45 h ALA 106 Cb 0.38 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3k45 h ALA 106 CO 0.00 0.51 0.00 -1.13 0.00 0.00 0.00 179.25 178.63 3k45 n SER 107 N -4.42 2.62 -0.04 0.00 3.41 -1.26 -4.00 113.62 109.93 3k45 n SER 107 Ca 0.07 -2.07 -0.04 0.00 -0.26 0.00 0.00 58.87 56.57 3k45 n SER 107 Cb 0.11 -0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 63.66 3k45 n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3k45 n LYS 108 N 0.77 2.62 -5.11 4.33 5.02 -0.52 -4.57 118.16 120.69 3k45 n LYS 108 Ca 0.15 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.12 3k45 n LYS 108 Cb 0.44 -1.18 -0.16 0.00 -0.02 0.00 0.00 35.03 34.11 3k45 n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3k45 s VAL 109 N -2.17 2.38 0.00 -0.18 1.01 -0.42 -1.01 120.40 120.01 3k45 s VAL 109 Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3k45 s VAL 109 Cb 0.02 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.49 3k45 s VAL 109 CO 0.28 0.56 0.00 -0.67 0.00 0.00 0.00 175.10 175.27 3k45 n ASP 110 N 3.15 0.00 -4.82 3.32 2.03 0.05 -4.79 116.55 115.49 3k45 n ASP 110 Ca -0.18 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.75 3k45 n ASP 110 Cb 0.52 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 3k45 n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3k45 s MET 111 N 0.30 4.16 -0.18 -0.67 -1.94 -1.26 0.50 119.30 120.20 3k45 s MET 111 Ca 0.00 0.69 -0.07 0.00 -1.71 0.00 0.00 55.69 54.60 3k45 s MET 111 Cb 0.00 -3.20 -0.04 0.00 2.01 0.00 0.00 34.83 33.60 3k45 s MET 111 CO 0.00 0.63 0.06 0.08 -0.01 0.00 0.00 175.02 175.78 3k45 s VAL 112 N -1.15 4.79 -0.07 -6.03 1.01 -1.26 -0.75 120.40 116.95 3k45 s VAL 112 Ca 0.30 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.27 3k45 s VAL 112 Cb -0.19 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.04 3k45 s VAL 112 CO 0.19 0.47 -0.17 0.26 0.00 0.00 0.00 175.10 175.85 3k45 s TRP 113 N 0.33 1.80 -0.17 5.22 0.52 0.47 -1.96 118.94 125.15 3k45 s TRP 113 Ca 0.03 -0.64 -0.14 0.00 0.02 0.00 0.00 56.10 55.37 3k45 s TRP 113 Cb -0.12 -1.25 -0.05 0.00 -1.15 0.00 0.00 33.47 30.91 3k45 s TRP 113 CO 0.00 -0.27 0.31 0.42 0.02 0.00 0.00 176.95 177.43 3k45 s ILE 114 N 0.38 5.29 -0.03 2.03 -1.09 0.10 -0.58 121.20 127.30 3k45 s ILE 114 Ca -0.12 0.58 0.04 0.00 -2.23 0.00 0.00 60.65 58.93 3k45 s ILE 114 Cb -0.15 -3.65 0.06 0.00 -1.58 0.00 0.00 42.46 37.14 3k45 s ILE 114 CO 0.04 0.36 0.95 1.33 -1.23 0.00 0.00 174.94 176.40 3k45 n VAL 115 N 3.71 0.96 0.00 2.92 0.24 -0.75 -1.66 118.33 123.76 3k45 n VAL 115 Ca -0.11 -1.05 0.00 0.00 -2.04 0.00 0.00 64.34 61.14 3k45 n VAL 115 Cb 0.52 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 3k45 n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k45 n GLY 116 N -0.59 2.79 0.00 7.63 0.00 -1.26 -4.97 105.19 108.79 3k45 n GLY 116 Ca 0.04 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.04 3k45 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k45 n GLY 117 N -1.29 2.08 0.27 -0.02 0.00 -1.26 -0.48 105.19 104.49 3k45 n GLY 117 Ca 0.00 -1.88 0.03 0.00 0.00 0.00 0.00 46.02 44.17 3k45 n GLY 117 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3k45 h SER 118 N 0.00 0.37 -0.26 1.61 0.87 -1.97 -0.84 113.55 113.32 3k45 h SER 118 Ca 0.00 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 3k45 h SER 118 Cb 0.00 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3k45 h SER 118 CO 0.00 0.18 0.08 0.77 -0.53 0.00 0.00 176.83 177.33 3k45 h SER 119 N 0.52 0.45 -0.00 6.23 4.64 -1.95 -1.87 113.55 121.56 3k45 h SER 119 Ca 0.38 -0.06 -0.26 0.00 -0.47 0.00 0.00 61.79 61.38 3k45 h SER 119 Cb 0.50 -0.12 0.02 0.00 -0.31 0.00 0.00 62.40 62.49 3k45 h SER 119 CO -0.33 0.46 -0.99 0.58 -0.87 0.00 0.00 176.83 175.67 3k45 h VAL 120 N 0.48 1.28 -0.37 0.95 2.07 -1.48 -2.65 116.25 116.53 3k45 h VAL 120 Ca 0.11 -2.21 0.02 0.00 0.82 0.00 0.00 66.70 65.45 3k45 h VAL 120 Cb 0.20 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 3k45 h VAL 120 CO -0.00 0.69 0.21 1.88 0.02 0.00 0.00 177.57 180.36 3k45 h TYR 121 N 0.41 0.38 -0.34 1.57 0.99 -1.16 0.65 116.97 119.48 3k45 h TYR 121 Ca -0.11 0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.70 3k45 h TYR 121 Cb 1.64 -0.12 -0.08 0.00 1.00 0.00 0.00 36.73 39.17 3k45 h TYR 121 CO 0.10 0.22 -0.22 1.96 -0.00 0.00 0.00 178.16 180.21 3k45 h GLN 122 N 0.42 -0.17 -0.18 4.88 4.20 -1.33 0.26 115.11 123.19 3k45 h GLN 122 Ca 0.15 0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.70 3k45 h GLN 122 Cb 0.03 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3k45 h GLN 122 CO -0.08 -0.11 -0.58 0.93 -0.67 0.00 0.00 178.83 178.31 3k45 h GLU 123 N -0.18 0.59 -0.49 1.46 4.39 -1.22 -1.87 114.58 117.26 3k45 h GLU 123 Ca 0.17 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 3k45 h GLU 123 Cb 0.44 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3k45 h GLU 123 CO -0.44 1.00 0.25 0.00 -1.16 0.00 0.00 179.01 178.66 3k45 h ALA 124 N 0.91 0.62 0.00 3.43 0.00 -0.53 -2.59 119.26 121.10 3k45 h ALA 124 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3k45 h ALA 124 Cb 1.14 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3k45 h ALA 124 CO 0.11 0.17 0.00 0.52 0.00 0.00 0.00 179.25 180.05 3k45 h MET 125 N 0.64 0.00 0.00 0.00 2.86 -0.22 -1.16 114.93 117.05 3k45 h MET 125 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3k45 h MET 125 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3k45 h MET 125 CO -0.02 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.04 3k45 n ASN 126 N -2.99 0.00 -4.76 1.22 3.02 -0.73 -4.91 115.26 106.12 3k45 n ASN 126 Ca -0.01 0.33 -0.40 0.00 -0.03 0.00 0.00 54.58 54.47 3k45 n ASN 126 Cb 0.21 -0.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 3k45 n ASN 126 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3k45 s GLN 127 N -2.86 4.75 0.66 3.52 -1.52 -0.44 -5.05 119.66 118.71 3k45 s GLN 127 Ca 0.14 1.56 -0.11 0.00 -1.95 0.00 0.00 55.36 55.00 3k45 s GLN 127 Cb 0.14 -3.18 -0.02 0.00 -0.22 0.00 0.00 33.01 29.74 3k45 s GLN 127 CO 0.38 0.39 1.06 -1.25 -0.25 0.00 0.00 175.29 175.61 3k45 s PRO 128 N -1.39 3.29 0.14 2.91 0.04 -1.26 -4.92 135.00 133.81 3k45 s PRO 128 Ca 0.44 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.13 3k45 s PRO 128 Cb -0.27 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3k45 s PRO 128 CO 0.33 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 177.02 3k45 n GLY 129 N -2.80 -2.70 3.62 0.56 0.00 -1.25 -4.95 105.19 97.67 3k45 n GLY 129 Ca 0.06 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 3k45 n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3k45 s HIS 130 N -0.44 2.87 -0.02 1.61 5.65 -1.26 -4.50 115.29 119.20 3k45 s HIS 130 Ca 0.00 0.89 0.07 0.00 0.25 0.00 0.00 55.06 56.27 3k45 s HIS 130 Cb 0.00 -4.11 -0.02 0.00 -1.18 0.00 0.00 32.58 27.27 3k45 s HIS 130 CO 0.00 -1.22 -0.23 -1.17 -0.65 0.00 0.00 174.74 171.46 3k45 s LEU 131 N 4.27 2.04 0.06 8.88 2.96 0.30 -1.33 118.68 135.85 3k45 s LEU 131 Ca 0.49 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 54.03 3k45 s LEU 131 Cb -0.11 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 3k45 s LEU 131 CO 0.25 0.28 -0.12 -0.13 -1.32 0.00 0.00 176.35 175.31 3k45 s ARG 132 N -0.49 2.21 -0.25 1.98 0.52 -0.73 -0.55 118.95 121.64 3k45 s ARG 132 Ca 0.07 -0.94 0.02 0.00 -0.52 0.00 0.00 55.73 54.37 3k45 s ARG 132 Cb -0.10 -2.31 0.05 0.00 0.52 0.00 0.00 34.95 33.11 3k45 s ARG 132 CO -0.00 0.54 -0.11 -0.51 0.02 0.00 0.00 175.30 175.23 3k45 s LEU 133 N -1.75 3.27 -0.62 2.53 1.43 -0.24 -0.19 118.68 123.11 3k45 s LEU 133 Ca 0.18 -1.26 -0.21 0.00 -1.03 0.00 0.00 54.13 51.82 3k45 s LEU 133 Cb -0.11 -1.55 0.09 0.00 0.03 0.00 0.00 46.19 44.64 3k45 s LEU 133 CO 0.09 -0.16 0.82 -0.36 0.23 0.00 0.00 176.35 176.96 3k45 s PHE 134 N 1.15 2.86 -0.19 0.29 0.40 0.19 -0.77 117.98 121.90 3k45 s PHE 134 Ca -0.06 -0.76 -0.03 0.00 -0.60 0.00 0.00 56.93 55.47 3k45 s PHE 134 Cb -0.19 -4.12 -0.01 0.00 0.51 0.00 0.00 43.02 39.21 3k45 s PHE 134 CO -0.06 -1.44 -0.05 0.08 0.70 0.00 0.00 175.22 174.45 3k45 s VAL 135 N 3.29 3.48 -0.33 -0.44 1.01 0.19 -1.01 120.40 126.58 3k45 s VAL 135 Ca 0.16 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 3k45 s VAL 135 Cb -0.21 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 3k45 s VAL 135 CO 0.08 0.45 0.52 -0.89 0.00 0.00 0.00 175.10 175.27 3k45 s THR 136 N 1.08 5.02 -0.47 3.92 2.01 0.13 -0.60 115.64 126.72 3k45 s THR 136 Ca 0.01 0.48 -0.25 0.00 0.31 0.00 0.00 61.69 62.24 3k45 s THR 136 Cb -0.15 -3.94 0.03 0.00 0.01 0.00 0.00 72.50 68.45 3k45 s THR 136 CO -0.00 -0.16 0.93 -0.13 -0.69 0.00 0.00 174.62 174.57 3k45 s ARG 137 N 2.41 3.50 -0.26 4.92 1.81 -0.11 -0.51 118.95 130.72 3k45 s ARG 137 Ca 0.20 0.10 -0.28 0.00 -1.72 0.00 0.00 55.73 54.03 3k45 s ARG 137 Cb -0.15 -3.94 0.01 0.00 -0.45 0.00 0.00 34.95 30.41 3k45 s ARG 137 CO 0.13 -1.26 0.99 0.42 -0.68 0.00 0.00 175.30 174.90 3k45 s ILE 138 N 3.78 4.68 -1.19 1.52 -1.09 0.14 -1.55 121.20 127.50 3k45 s ILE 138 Ca 0.36 1.83 -0.04 0.00 -2.23 0.00 0.00 60.65 60.57 3k45 s ILE 138 Cb -0.10 -4.29 0.19 0.00 -1.58 0.00 0.00 42.46 36.68 3k45 s ILE 138 CO 0.25 -0.23 2.21 0.23 -1.23 0.00 0.00 174.94 176.18 3k45 n MET 139 N 6.37 4.77 -3.57 2.79 2.81 0.08 -2.32 117.12 128.06 3k45 n MET 139 Ca 0.10 -3.82 -0.10 0.00 -1.81 0.00 0.00 57.70 52.08 3k45 n MET 139 Cb 0.47 -2.55 -0.05 0.00 -0.71 0.00 0.00 33.22 30.38 3k45 n MET 139 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3k45 s GLN 140 N -2.27 0.61 0.25 0.03 0.74 -1.26 -4.68 119.66 113.08 3k45 s GLN 140 Ca 0.49 0.07 -0.21 0.00 0.05 0.00 0.00 55.36 55.77 3k45 s GLN 140 Cb 0.20 0.28 -0.09 0.00 1.10 0.00 0.00 33.01 34.51 3k45 s GLN 140 CO -0.12 -0.20 0.78 -1.21 -0.55 0.00 0.00 175.29 173.99 3k45 s GLU 141 N -1.42 4.33 -0.01 1.67 2.02 -1.26 -1.51 118.70 122.51 3k45 s GLU 141 Ca -0.00 0.98 -0.01 0.00 0.02 0.00 0.00 54.97 55.96 3k45 s GLU 141 Cb -0.01 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.39 3k45 s GLU 141 CO -0.00 0.36 0.03 -0.06 0.02 0.00 0.00 175.26 175.61 3k45 s PHE 142 N -1.56 -0.04 0.10 1.61 0.08 -1.26 -4.97 117.98 111.94 3k45 s PHE 142 Ca 0.45 0.09 -0.31 0.00 0.12 0.00 0.00 56.93 57.29 3k45 s PHE 142 Cb -0.17 0.01 -0.10 0.00 -0.57 0.00 0.00 43.02 42.19 3k45 s PHE 142 CO 0.21 -0.02 1.80 -2.00 -0.10 0.00 0.00 175.22 175.11 3k45 s GLU 143 N 0.05 4.15 0.03 0.44 2.12 -1.26 -4.84 118.70 119.40 3k45 s GLU 143 Ca -0.00 2.52 0.03 0.00 0.36 0.00 0.00 54.97 57.88 3k45 s GLU 143 Cb -0.01 -3.66 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 3k45 s GLU 143 CO -0.00 -0.83 -0.10 -1.12 -0.54 0.00 0.00 175.26 172.67 3k45 s SER 144 N 2.82 1.14 -0.07 -1.70 0.01 -1.26 -4.71 113.70 109.93 3k45 s SER 144 Ca 0.80 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 57.65 3k45 s SER 144 Cb -0.44 -0.04 -0.25 0.00 0.21 0.00 0.00 66.02 65.50 3k45 s SER 144 CO 0.36 -0.06 0.56 0.44 0.41 0.00 0.00 173.24 174.95 3k45 h ASP 145 N 4.94 0.23 -4.47 2.44 3.32 -0.36 -3.48 116.42 119.03 3k45 h ASP 145 Ca -0.35 -0.48 -0.33 0.00 0.02 0.00 0.00 57.03 55.88 3k45 h ASP 145 Cb 1.19 -0.07 -0.19 0.00 0.22 0.00 0.00 39.33 40.48 3k45 h ASP 145 CO 0.44 1.43 -0.74 0.28 -1.72 0.00 0.00 179.24 178.92 3k45 s THR 146 N -2.58 0.92 0.03 0.35 -1.32 -0.99 -5.02 115.64 107.02 3k45 s THR 146 Ca -0.13 -1.47 0.03 0.00 -1.21 0.00 0.00 61.69 58.91 3k45 s THR 146 Cb 0.07 -1.16 -0.02 0.00 -1.51 0.00 0.00 72.50 69.88 3k45 s THR 146 CO 0.80 -0.45 -0.08 -0.36 -2.21 0.00 0.00 174.62 172.32 3k45 s PHE 147 N -1.98 0.73 0.35 9.09 0.40 -1.26 -1.31 117.98 124.00 3k45 s PHE 147 Ca 0.01 -0.33 -0.27 0.00 -0.60 0.00 0.00 56.93 55.74 3k45 s PHE 147 Cb -0.06 -0.44 -0.09 0.00 0.51 0.00 0.00 43.02 42.94 3k45 s PHE 147 CO 0.01 -0.03 1.15 0.12 0.70 0.00 0.00 175.22 177.16 3k45 s PHE 148 N -0.84 3.26 0.70 0.36 5.36 -0.21 -4.88 117.98 121.73 3k45 s PHE 148 Ca -0.03 1.60 -0.16 0.00 -0.96 0.00 0.00 56.93 57.37 3k45 s PHE 148 Cb -0.07 -3.36 0.02 0.00 -0.34 0.00 0.00 43.02 39.27 3k45 s PHE 148 CO 0.00 -1.04 1.19 -2.30 -1.46 0.00 0.00 175.22 171.61 3k45 n PRO 149 N 0.49 0.74 -1.62 10.12 -0.02 -1.26 -4.90 135.00 138.55 3k45 n PRO 149 Ca 0.02 0.31 -0.45 0.00 -2.02 0.00 0.00 63.50 61.36 3k45 n PRO 149 Cb 0.46 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 3k45 n PRO 149 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3k45 n GLU 150 N -2.21 1.59 -3.35 -0.52 0.00 -1.26 -4.95 120.64 109.94 3k45 n GLU 150 Ca 0.15 0.56 -0.45 0.00 0.00 0.00 0.00 57.16 57.42 3k45 n GLU 150 Cb 0.49 -2.07 -0.06 0.00 0.00 0.00 0.00 31.44 29.80 3k45 n GLU 150 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3k45 s ILE 151 N -0.58 5.11 -0.33 3.84 1.01 -1.26 -5.03 121.20 123.95 3k45 s ILE 151 Ca 0.64 -1.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 3k45 s ILE 151 Cb -0.71 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 37.53 3k45 s ILE 151 CO 0.56 -0.80 1.36 -0.62 0.00 0.00 0.00 174.94 175.43 3k45 s ASP 152 N 3.32 6.54 0.00 3.58 3.68 -1.26 -4.87 116.67 127.65 3k45 s ASP 152 Ca 0.03 1.10 0.12 0.00 2.13 0.00 0.00 52.55 55.93 3k45 s ASP 152 Cb -0.29 -2.54 0.59 0.00 -1.45 0.00 0.00 42.92 39.24 3k45 s ASP 152 CO 0.03 -1.22 1.28 0.18 0.13 0.00 0.00 175.17 175.58 3k45 n LEU 153 N 8.10 0.00 0.16 -1.34 4.77 -1.26 -1.27 117.00 126.15 3k45 n LEU 153 Ca 0.16 0.29 0.08 0.00 -0.03 0.00 0.00 56.01 56.51 3k45 n LEU 153 Cb 0.47 -0.29 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 3k45 n LEU 153 CO 0.66 -0.18 0.46 1.23 -1.33 0.00 0.00 177.39 178.23 3k45 h GLY 154 N 1.94 0.00 0.00 -0.72 0.00 -2.03 -3.37 103.07 98.89 3k45 h GLY 154 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 3k45 h GLY 154 CO 0.00 0.00 -2.18 1.17 0.00 0.00 0.00 176.54 175.53 3k45 n LYS 155 N -3.03 0.50 -3.95 4.80 4.81 -0.60 -4.95 118.16 115.74 3k45 n LYS 155 Ca 0.01 0.14 -0.35 0.00 -0.87 0.00 0.00 58.31 57.24 3k45 n LYS 155 Cb 0.61 -1.38 -0.11 0.00 0.02 0.00 0.00 35.03 34.18 3k45 n LYS 155 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3k45 s TYR 156 N -2.41 3.17 -0.16 5.64 1.51 -0.40 -4.45 117.35 120.26 3k45 s TYR 156 Ca -0.28 -0.12 -0.19 0.00 -1.01 0.00 0.00 57.07 55.46 3k45 s TYR 156 Cb 0.08 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3k45 s TYR 156 CO 0.45 -0.05 0.54 0.21 -1.11 0.00 0.00 175.55 175.59 3k45 s LYS 157 N 0.85 4.27 -0.39 -0.62 2.20 -0.05 -4.50 119.74 121.50 3k45 s LYS 157 Ca 0.03 0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 55.86 3k45 s LYS 157 Cb -0.14 -3.51 0.01 0.00 -1.51 0.00 0.00 37.83 32.69 3k45 s LYS 157 CO 0.02 -0.03 1.24 -1.17 -0.36 0.00 0.00 175.35 175.06 3k45 s LEU 158 N 1.22 3.73 0.25 5.43 0.20 -1.26 -0.45 118.68 127.80 3k45 s LEU 158 Ca 0.27 0.85 -0.30 0.00 0.69 0.00 0.00 54.13 55.64 3k45 s LEU 158 Cb -0.16 -3.54 -0.09 0.00 -0.43 0.00 0.00 46.19 41.97 3k45 s LEU 158 CO 0.11 -1.20 1.21 -0.76 -0.29 0.00 0.00 176.35 175.41 3k45 s LEU 159 N 4.57 4.48 0.33 -0.68 1.43 0.75 -4.92 118.68 124.64 3k45 s LEU 159 Ca 0.53 2.38 0.15 0.00 -1.03 0.00 0.00 54.13 56.16 3k45 s LEU 159 Cb -0.12 -3.62 0.55 0.00 0.03 0.00 0.00 46.19 43.03 3k45 s LEU 159 CO 0.27 -0.35 1.69 1.55 0.23 0.00 0.00 176.35 179.74 3k45 h PRO 160 N 4.34 0.00 -3.90 1.29 0.13 -1.95 -3.43 132.00 128.49 3k45 h PRO 160 Ca -0.46 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 3k45 h PRO 160 Cb 1.22 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 3k45 h PRO 160 CO 0.70 0.47 -0.29 -1.83 -0.23 0.00 0.00 178.00 176.82 3k45 s GLU 161 N -3.64 1.29 -0.17 0.86 -1.05 -1.26 -5.05 118.70 109.69 3k45 s GLU 161 Ca -0.01 -1.26 -0.14 0.00 -0.15 0.00 0.00 54.97 53.42 3k45 s GLU 161 Cb 0.12 0.39 0.05 0.00 -0.44 0.00 0.00 34.13 34.25 3k45 s GLU 161 CO 0.72 -0.49 0.43 -0.47 0.95 0.00 0.00 175.26 176.40 3k45 s TYR 162 N -4.01 -0.51 0.16 4.83 5.04 -1.26 -5.02 117.35 116.57 3k45 s TYR 162 Ca 0.22 1.20 -0.33 0.00 -2.44 0.00 0.00 57.07 55.72 3k45 s TYR 162 Cb 0.03 0.19 -0.13 0.00 0.35 0.00 0.00 41.96 42.39 3k45 s TYR 162 CO 0.05 -0.26 1.63 -2.30 -1.34 0.00 0.00 175.55 173.33 3k45 n PRO 163 N 3.15 2.28 -0.75 4.97 -0.02 -1.26 -1.65 135.00 141.72 3k45 n PRO 163 Ca -0.15 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3k45 n PRO 163 Cb 0.57 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3k45 n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k45 n GLY 164 N 3.59 0.87 3.31 -1.23 0.00 -1.26 -5.01 105.19 105.46 3k45 n GLY 164 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3k45 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k45 s VAL 165 N -3.47 3.28 0.17 1.61 1.01 -0.66 -5.10 120.40 117.23 3k45 s VAL 165 Ca 0.00 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.23 3k45 s VAL 165 Cb 0.00 -2.48 -0.08 0.00 0.00 0.00 0.00 36.38 33.83 3k45 s VAL 165 CO 0.00 0.44 0.71 -0.76 0.00 0.00 0.00 175.10 175.49 3k45 s LEU 166 N 1.35 4.49 0.00 3.92 1.02 -1.26 -4.53 118.68 123.67 3k45 s LEU 166 Ca 0.04 1.48 0.22 0.00 0.02 0.00 0.00 54.13 55.89 3k45 s LEU 166 Cb -0.14 -3.32 -0.20 0.00 0.02 0.00 0.00 46.19 42.56 3k45 s LEU 166 CO -0.03 0.16 0.81 -1.54 0.02 0.00 0.00 176.35 175.77 3k45 n SER 167 N 1.30 0.61 -4.75 2.29 3.41 -1.26 -4.45 113.62 110.78 3k45 n SER 167 Ca -0.05 -0.53 -0.37 0.00 -0.26 0.00 0.00 58.87 57.65 3k45 n SER 167 Cb 0.50 1.25 0.03 0.00 -0.26 0.00 0.00 64.21 65.73 3k45 n SER 167 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3k45 s GLU 168 N -3.19 3.10 0.22 4.33 8.01 -1.26 -4.71 118.70 125.19 3k45 s GLU 168 Ca 0.02 2.01 -0.31 0.00 0.01 0.00 0.00 54.97 56.70 3k45 s GLU 168 Cb 0.15 -2.12 -0.10 0.00 -4.31 0.00 0.00 34.13 27.75 3k45 s GLU 168 CO 0.87 -1.15 1.55 0.08 0.01 0.00 0.00 175.26 176.62 3k45 s VAL 169 N -1.45 2.48 0.31 2.63 1.01 -1.26 -4.68 120.40 119.44 3k45 s VAL 169 Ca 0.74 0.37 0.07 0.00 0.00 0.00 0.00 61.98 63.16 3k45 s VAL 169 Cb -0.35 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3k45 s VAL 169 CO 0.40 0.04 0.29 -1.10 0.00 0.00 0.00 175.10 174.73 3k45 s GLN 170 N 0.43 2.82 -0.07 2.72 -1.52 0.94 -4.96 119.66 120.02 3k45 s GLN 170 Ca 0.66 -1.20 -0.05 0.00 -1.95 0.00 0.00 55.36 52.82 3k45 s GLN 170 Cb -0.44 -2.54 0.02 0.00 -0.22 0.00 0.00 33.01 29.83 3k45 s GLN 170 CO 0.38 0.17 0.17 -2.00 -0.25 0.00 0.00 175.29 173.76 3k45 s GLU 171 N -3.98 0.18 -0.08 2.91 2.12 -1.26 -1.20 118.70 117.39 3k45 s GLU 171 Ca 0.39 0.30 -0.03 0.00 0.36 0.00 0.00 54.97 55.99 3k45 s GLU 171 Cb -0.07 0.02 0.04 0.00 0.26 0.00 0.00 34.13 34.39 3k45 s GLU 171 CO 0.27 -0.07 0.17 -2.00 -0.54 0.00 0.00 175.26 173.09 3k45 s GLU 172 N 0.43 0.09 -1.61 4.30 2.12 -0.53 -4.87 118.70 118.63 3k45 s GLU 172 Ca -0.03 0.46 -0.14 0.00 0.36 0.00 0.00 54.97 55.62 3k45 s GLU 172 Cb -0.04 -0.19 0.11 0.00 0.26 0.00 0.00 34.13 34.27 3k45 s GLU 172 CO -0.02 -0.21 0.81 1.63 -0.54 0.00 0.00 175.26 176.93 3k45 n LYS 173 N 4.58 -4.00 -0.97 4.30 5.02 -1.26 -1.33 118.16 124.51 3k45 n LYS 173 Ca -0.19 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 3k45 n LYS 173 Cb 0.51 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.36 3k45 n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k45 n GLY 174 N -1.57 0.71 3.41 0.72 0.00 -1.26 -4.99 105.19 102.21 3k45 n GLY 174 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3k45 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k45 s ILE 175 N -2.95 4.05 0.30 -0.61 1.01 -0.44 -5.09 121.20 117.48 3k45 s ILE 175 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.30 3k45 s ILE 175 Cb 0.00 -2.88 -0.07 0.00 0.01 0.00 0.00 42.46 39.52 3k45 s ILE 175 CO 0.00 0.36 0.63 -0.54 0.00 0.00 0.00 174.94 175.40 3k45 s LYS 176 N 1.56 3.78 0.16 2.79 1.02 -1.26 -1.46 119.74 126.33 3k45 s LYS 176 Ca 0.06 0.30 -0.24 0.00 0.02 0.00 0.00 55.97 56.12 3k45 s LYS 176 Cb -0.15 -2.55 0.06 0.00 -0.52 0.00 0.00 37.83 34.67 3k45 s LYS 176 CO 0.02 0.18 0.72 1.52 -0.92 0.00 0.00 175.35 176.86 3k45 s TYR 177 N -2.05 -0.37 0.09 3.18 -0.85 -0.34 -0.74 117.35 116.26 3k45 s TYR 177 Ca 0.48 0.10 -0.14 0.00 -0.52 0.00 0.00 57.07 56.99 3k45 s TYR 177 Cb -0.11 0.60 0.02 0.00 0.38 0.00 0.00 41.96 42.86 3k45 s TYR 177 CO 0.26 -0.90 0.32 -1.59 -1.52 0.00 0.00 175.55 172.11 3k45 s LYS 178 N -3.64 0.93 -0.17 -3.49 -2.85 -0.59 -0.04 119.74 109.88 3k45 s LYS 178 Ca 0.06 -0.70 -0.07 0.00 -1.00 0.00 0.00 55.97 54.26 3k45 s LYS 178 Cb -0.02 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.10 3k45 s LYS 178 CO -0.05 -0.33 0.07 -0.06 0.10 0.00 0.00 175.35 175.08 3k45 s PHE 179 N -3.38 3.29 0.11 1.78 0.40 -1.26 -0.93 117.98 117.98 3k45 s PHE 179 Ca 0.01 0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.55 3k45 s PHE 179 Cb 0.02 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 3k45 s PHE 179 CO -0.09 0.23 -0.17 -1.21 0.70 0.00 0.00 175.22 174.69 3k45 s GLU 180 N 0.20 1.03 -0.08 0.44 2.02 0.23 -4.80 118.70 117.73 3k45 s GLU 180 Ca 0.05 -1.15 0.02 0.00 0.02 0.00 0.00 54.97 53.91 3k45 s GLU 180 Cb -0.12 -1.10 0.01 0.00 0.10 0.00 0.00 34.13 33.02 3k45 s GLU 180 CO 0.00 0.24 -0.13 0.08 0.02 0.00 0.00 175.26 175.47 3k45 s VAL 181 N -1.54 1.25 0.14 2.63 1.01 -1.26 -0.64 120.40 121.99 3k45 s VAL 181 Ca 0.06 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.60 3k45 s VAL 181 Cb -0.08 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3k45 s VAL 181 CO 0.04 0.39 -0.13 -0.31 0.00 0.00 0.00 175.10 175.08 3k45 s TYR 182 N 0.83 2.60 -0.01 5.22 1.51 0.05 -0.18 117.35 127.37 3k45 s TYR 182 Ca -0.11 -0.23 -0.00 0.00 -1.01 0.00 0.00 57.07 55.72 3k45 s TYR 182 Cb -0.15 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.37 3k45 s TYR 182 CO 0.02 0.45 0.02 -2.00 -1.11 0.00 0.00 175.55 172.93 3k45 s GLU 183 N -2.45 0.00 -0.15 -0.62 2.12 0.40 -1.08 118.70 116.93 3k45 s GLU 183 Ca 0.21 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.62 3k45 s GLU 183 Cb -0.10 -0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.25 3k45 s GLU 183 CO 0.13 -0.05 -0.15 0.21 -0.54 0.00 0.00 175.26 174.86 3k45 s LYS 184 N 0.30 2.37 0.67 4.30 2.20 0.29 -0.87 119.74 129.01 3k45 s LYS 184 Ca -0.02 -0.59 -0.07 0.00 -0.36 0.00 0.00 55.97 54.93 3k45 s LYS 184 Cb -0.04 -2.16 0.15 0.00 -1.51 0.00 0.00 37.83 34.27 3k45 s LYS 184 CO -0.01 -0.24 0.92 0.36 -0.36 0.00 0.00 175.35 176.02 3k45 n LYS 185 N 4.75 -0.49 -0.29 4.03 2.85 -1.26 -0.54 118.16 127.20 3k45 n LYS 185 Ca -0.17 -1.88 0.00 0.00 -1.05 0.00 0.00 58.31 55.21 3k45 n LYS 185 Cb 0.50 -0.80 0.00 0.00 -0.65 0.00 0.00 35.03 34.08 3k45 n LYS 185 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95