#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crw s SER 2 N 0.00 -0.30 0.63 1.61 0.15 -1.26 -5.15 113.70 109.38 2crw s SER 2 Ca 0.00 0.49 -0.17 0.00 0.70 0.00 0.00 55.95 56.97 2crw s SER 2 Cb 0.00 0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 64.86 2crw s SER 2 CO 0.00 -0.21 1.20 -0.44 1.20 0.00 0.00 173.24 174.99 2crw s SER 3 N -0.25 4.96 -0.40 5.45 0.01 -1.26 -5.00 113.70 117.21 2crw s SER 3 Ca -0.04 2.33 0.02 0.00 1.31 0.00 0.00 55.95 59.58 2crw s SER 3 Cb -0.03 -2.59 0.28 0.00 0.21 0.00 0.00 66.02 63.88 2crw s SER 3 CO 0.01 -1.74 1.13 0.61 0.41 0.00 0.00 173.24 173.66 2crw n GLY 4 N 0.36 -0.82 3.38 3.44 0.00 -1.26 -5.14 105.19 105.15 2crw n GLY 4 Ca 0.13 0.57 -0.31 0.00 0.00 0.00 0.00 46.02 46.41 2crw n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2crw n SER 5 N 1.28 -1.94 -4.82 1.61 3.41 -1.26 -5.00 113.62 106.89 2crw n SER 5 Ca 0.04 -0.01 -0.32 0.00 -0.26 0.00 0.00 58.87 58.32 2crw n SER 5 Cb 0.69 -1.13 -0.06 0.00 -0.26 0.00 0.00 64.21 63.45 2crw n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2crw s SER 6 N -2.08 5.84 0.00 4.04 0.01 -1.26 -4.92 113.70 115.32 2crw s SER 6 Ca 0.60 0.14 0.00 0.00 1.31 0.00 0.00 55.95 58.00 2crw s SER 6 Cb -0.18 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.36 2crw s SER 6 CO 0.66 0.22 0.00 0.61 0.41 0.00 0.00 173.24 175.13 2crw n GLY 7 N 0.74 -0.15 3.66 3.44 0.00 -1.26 -5.11 105.19 106.51 2crw n GLY 7 Ca -0.10 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2crw n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2crw s MET 8 N 0.00 4.22 0.00 1.61 0.00 -1.26 -5.01 119.30 118.86 2crw s MET 8 Ca 0.00 1.81 0.00 0.00 0.00 0.00 0.00 55.69 57.50 2crw s MET 8 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 34.83 31.01 2crw s MET 8 CO 0.00 -0.74 0.00 0.41 0.00 0.00 0.00 175.02 174.69 2crw n GLY 9 N 3.75 1.65 3.18 2.11 0.00 -1.26 -5.12 105.19 109.50 2crw n GLY 9 Ca 0.15 -1.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 2crw n GLY 9 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2crw s ASP 10 N -1.00 2.29 -0.07 1.61 1.47 -1.00 -4.91 116.67 115.05 2crw s ASP 10 Ca 0.00 -0.36 -0.30 0.00 1.18 0.00 0.00 52.55 53.07 2crw s ASP 10 Cb 0.00 -0.42 -0.04 0.00 -0.34 0.00 0.00 42.92 42.11 2crw s ASP 10 CO 0.00 0.21 1.51 -2.16 0.68 0.00 0.00 175.17 175.41 2crw s PRO 11 N -0.25 4.21 0.73 2.11 0.04 -1.26 -4.65 135.00 135.93 2crw s PRO 11 Ca 0.02 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 2crw s PRO 11 Cb -0.09 -3.86 0.03 0.00 0.04 0.00 0.00 34.50 30.62 2crw s PRO 11 CO 0.01 -0.77 1.09 -1.12 0.04 0.00 0.00 177.00 176.25 2crw s SER 12 N 2.74 5.13 0.19 6.66 0.01 -1.26 -4.65 113.70 122.52 2crw s SER 12 Ca 0.67 1.24 -0.24 0.00 1.31 0.00 0.00 55.95 58.93 2crw s SER 12 Cb -0.30 -2.03 0.09 0.00 0.21 0.00 0.00 66.02 63.99 2crw s SER 12 CO 0.25 -1.55 1.55 0.50 0.41 0.00 0.00 173.24 174.40 2crw h LYS 13 N -0.80 -0.07 -0.54 12.44 3.64 -1.96 -0.31 116.57 128.97 2crw h LYS 13 Ca -0.46 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.98 2crw h LYS 13 Cb 1.25 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 33.01 2crw h LYS 13 CO 0.62 -0.05 -0.44 1.96 -2.27 0.00 0.00 179.45 179.27 2crw h GLN 14 N -0.08 -0.15 -0.49 1.90 4.20 -1.95 0.57 115.11 119.10 2crw h GLN 14 Ca 0.24 0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.06 2crw h GLN 14 Cb 0.53 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.26 2crw h GLN 14 CO -0.88 -0.10 -0.02 -0.44 -0.67 0.00 0.00 178.83 176.73 2crw h ASP 15 N -0.15 -0.24 -0.60 1.46 3.32 -1.56 0.42 116.42 119.06 2crw h ASP 15 Ca 0.09 0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.30 2crw h ASP 15 Cb 0.38 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 2crw h ASP 15 CO -0.59 -0.08 0.40 0.40 -1.72 0.00 0.00 179.24 177.65 2crw h ILE 16 N 0.10 1.07 -0.41 0.35 2.04 0.60 -2.18 117.51 119.09 2crw h ILE 16 Ca 0.25 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 2crw h ILE 16 Cb 0.38 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2crw h ILE 16 CO -0.43 0.13 0.14 -0.07 0.00 0.00 0.00 178.15 177.92 2crw h LEU 17 N 0.70 0.58 0.17 1.44 3.38 0.22 -3.00 115.31 118.80 2crw h LEU 17 Ca 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2crw h LEU 17 Cb 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2crw h LEU 17 CO -0.07 0.62 -0.12 0.74 0.09 0.00 0.00 178.44 179.70 2crw h THR 18 N 0.52 0.00 -1.61 0.22 2.02 -0.71 0.56 112.91 113.91 2crw h THR 18 Ca 0.13 0.00 0.51 0.00 0.77 0.00 0.00 66.41 67.82 2crw h THR 18 Cb 0.24 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.54 2crw h THR 18 CO -0.01 0.00 1.10 -0.38 0.37 0.00 0.00 175.52 176.60 2crw n ILE 19 N -3.01 -0.14 0.05 3.11 5.41 -1.08 0.24 119.36 123.95 2crw n ILE 19 Ca -0.03 1.62 -0.15 0.00 1.00 0.00 0.00 62.75 65.19 2crw n ILE 19 Cb 0.12 -2.68 -0.14 0.00 -0.71 0.00 0.00 39.64 36.23 2crw n ILE 19 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2crw h PHE 20 N 0.00 0.37 -0.42 1.39 0.04 -1.27 -3.24 116.94 113.81 2crw h PHE 20 Ca 0.89 -0.27 -0.04 0.00 2.80 0.00 0.00 57.97 61.35 2crw h PHE 20 Cb 3.19 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 41.30 2crw h PHE 20 CO -0.00 1.32 0.09 1.57 -0.60 0.00 0.00 178.31 180.69 2crw h LYS 21 N 0.05 0.62 -0.35 1.51 2.10 0.85 0.14 116.57 121.49 2crw h LYS 21 Ca -0.23 -0.11 -0.17 0.00 -2.00 0.00 0.00 60.65 58.14 2crw h LYS 21 Cb 1.99 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 33.22 2crw h LYS 21 CO 0.15 0.58 -0.43 -0.09 -2.00 0.00 0.00 179.45 177.65 2crw h ARG 22 N 0.61 0.92 0.32 0.07 9.65 -1.17 -2.92 114.38 121.85 2crw h ARG 22 Ca 0.14 -0.51 -0.02 0.00 -1.10 0.00 0.00 59.98 58.49 2crw h ARG 22 Cb 0.24 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2crw h ARG 22 CO -0.00 1.16 -0.15 -0.07 2.80 0.00 0.00 179.97 183.71 2crw h LEU 23 N 0.73 -0.37 -0.95 3.80 4.07 -1.50 -3.32 115.31 117.76 2crw h LEU 23 Ca 0.05 -0.04 0.18 0.00 0.08 0.00 0.00 57.88 58.15 2crw h LEU 23 Cb 1.03 0.09 -0.17 0.00 1.08 0.00 0.00 40.66 42.69 2crw h LEU 23 CO 0.10 0.09 -0.28 0.03 -1.08 0.00 0.00 178.44 177.31 2crw h ARG 24 N -1.09 -0.01 -0.91 1.13 3.08 -0.84 0.55 114.38 116.29 2crw h ARG 24 Ca -0.04 0.00 0.38 0.00 0.07 0.00 0.00 59.98 60.39 2crw h ARG 24 Cb 0.38 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.27 2crw h ARG 24 CO 0.07 -0.00 0.49 0.45 -1.07 0.00 0.00 179.97 179.91 2crw n SER 25 N -5.57 0.31 -4.76 7.04 2.88 -1.10 -3.12 113.62 109.31 2crw n SER 25 Ca 0.13 1.50 -0.41 0.00 -1.33 0.00 0.00 58.87 58.76 2crw n SER 25 Cb 0.46 -0.73 -0.01 0.00 -0.75 0.00 0.00 64.21 63.17 2crw n SER 25 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2crw s VAL 26 N -5.37 2.26 -1.70 2.46 1.01 0.19 -4.85 120.40 114.40 2crw s VAL 26 Ca -0.08 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2crw s VAL 26 Cb 0.31 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2crw s VAL 26 CO 0.71 0.04 0.42 -0.81 0.00 0.00 0.00 175.10 175.46 2crw n PRO 27 N 1.69 0.49 0.00 2.72 -0.04 -1.26 -1.87 135.00 136.73 2crw n PRO 27 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2crw n PRO 27 Cb 0.39 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 2crw n PRO 27 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2crw n THR 28 N -0.28 0.00 -0.03 0.52 -2.24 -1.26 -4.72 114.28 106.28 2crw n THR 28 Ca 0.00 -0.16 0.06 0.00 -2.27 0.00 0.00 64.05 61.67 2crw n THR 28 Cb 0.04 0.65 -0.15 0.00 -2.10 0.00 0.00 70.33 68.76 2crw n THR 28 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2crw n ASN 29 N -1.04 0.56 0.00 3.42 3.02 -0.78 -4.24 115.26 116.21 2crw n ASN 29 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.60 2crw n ASN 29 Cb 0.00 1.67 0.28 0.00 -0.61 0.00 0.00 39.78 41.13 2crw n ASN 29 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2crw n LYS 30 N -2.29 1.00 -3.88 3.52 2.85 -0.95 -4.69 118.16 113.73 2crw n LYS 30 Ca -0.09 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 56.99 2crw n LYS 30 Cb 0.64 -1.15 -0.16 0.00 -0.65 0.00 0.00 35.03 33.70 2crw n LYS 30 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2crw s VAL 31 N -2.00 0.15 -0.39 0.58 -7.23 -1.26 -1.37 120.40 108.88 2crw s VAL 31 Ca 0.14 0.13 -0.42 0.00 -1.81 0.00 0.00 61.98 60.03 2crw s VAL 31 Cb 0.07 -0.27 -0.17 0.00 0.56 0.00 0.00 36.38 36.57 2crw s VAL 31 CO 0.11 0.16 1.87 0.00 -0.31 0.00 0.00 175.10 176.93 2crw h PHE 33 N 8.01 0.36 0.00 0.00 3.04 -1.49 1.51 116.94 128.36 2crw h PHE 33 Ca -0.35 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.61 2crw h PHE 33 Cb 1.35 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.75 2crw h PHE 33 CO 0.82 0.07 0.00 -3.47 -2.02 0.00 0.00 178.31 173.71 2crw n ASP 34 N -4.43 0.00 -0.14 0.41 -0.08 -1.26 -4.62 116.55 106.43 2crw n ASP 34 Ca 0.21 0.83 -0.27 0.00 -1.51 0.00 0.00 54.79 54.05 2crw n ASP 34 Cb 0.86 -0.42 -0.11 0.00 2.34 0.00 0.00 41.12 43.79 2crw n ASP 34 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2crw n GLY 36 N 1.53 1.19 3.70 0.00 0.00 0.51 -4.90 105.19 107.22 2crw n GLY 36 Ca -0.52 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 44.98 2crw n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crw n ALA 37 N 0.00 0.44 -1.75 4.61 0.00 -1.26 -3.81 120.51 118.74 2crw n ALA 37 Ca 0.00 0.32 -0.40 0.00 0.00 0.00 0.00 53.44 53.37 2crw n ALA 37 Cb 0.00 -2.39 0.02 0.00 0.00 0.00 0.00 19.45 17.08 2crw n ALA 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2crw n LYS 38 N 6.16 2.10 -3.13 0.00 5.02 -1.26 -1.68 118.16 125.37 2crw n LYS 38 Ca 0.24 0.75 -0.14 0.00 -2.02 0.00 0.00 58.31 57.15 2crw n LYS 38 Cb 0.23 -2.58 0.07 0.00 -0.02 0.00 0.00 35.03 32.72 2crw n LYS 38 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2crw n ASN 39 N -0.27 -3.94 -4.57 4.39 4.13 -0.47 -4.86 115.26 109.67 2crw n ASN 39 Ca 0.06 -0.57 -0.28 0.00 1.68 0.00 0.00 54.58 55.46 2crw n ASN 39 Cb 0.42 -4.55 -0.06 0.00 -1.54 0.00 0.00 39.78 34.04 2crw n ASN 39 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2crw n PRO 40 N -3.38 1.62 -0.10 3.52 -0.04 -1.20 -4.83 135.00 130.59 2crw n PRO 40 Ca -0.16 -2.48 -0.04 0.00 -0.04 0.00 0.00 63.50 60.79 2crw n PRO 40 Cb 0.63 -3.73 -0.03 0.00 -0.04 0.00 0.00 33.50 30.33 2crw n PRO 40 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2crw h SER 41 N 9.66 -0.64 -3.21 3.54 4.64 -1.89 -3.40 113.55 122.24 2crw h SER 41 Ca 0.22 0.09 -0.58 0.00 -0.47 0.00 0.00 61.79 61.06 2crw h SER 41 Cb 0.93 0.28 0.16 0.00 -0.31 0.00 0.00 62.40 63.46 2crw h SER 41 CO 1.23 -0.09 -0.12 0.79 -0.87 0.00 0.00 176.83 177.77 2crw n TRP 42 N -3.64 0.15 -3.68 4.77 7.02 -1.15 -3.73 117.44 117.17 2crw n TRP 42 Ca -0.00 0.46 -0.10 0.00 -1.02 0.00 0.00 57.50 56.83 2crw n TRP 42 Cb 0.09 -2.06 -0.11 0.00 -2.42 0.00 0.00 31.31 26.81 2crw n TRP 42 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2crw s ALA 43 N -1.58 -1.02 -0.42 6.99 0.00 -0.74 -1.60 121.76 123.40 2crw s ALA 43 Ca 0.71 1.45 -0.20 0.00 0.00 0.00 0.00 51.96 53.92 2crw s ALA 43 Cb -0.45 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 21.66 2crw s ALA 43 CO 0.51 -0.42 0.62 0.45 0.00 0.00 0.00 175.76 176.92 2crw s SER 44 N 1.80 6.32 0.16 0.00 0.15 0.26 -1.83 113.70 120.56 2crw s SER 44 Ca -0.07 -0.28 -0.12 0.00 0.70 0.00 0.00 55.95 56.18 2crw s SER 44 Cb -0.10 -2.31 0.04 0.00 -1.71 0.00 0.00 66.02 61.94 2crw s SER 44 CO -0.12 -0.72 1.66 0.40 1.20 0.00 0.00 173.24 175.66 2crw h ILE 45 N 5.82 1.25 -0.68 6.45 2.04 -1.77 0.77 117.51 131.38 2crw h ILE 45 Ca -0.26 -0.89 0.06 0.00 1.00 0.00 0.00 64.86 64.77 2crw h ILE 45 Cb 1.10 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 37.91 2crw h ILE 45 CO 0.87 0.32 -0.40 0.41 0.00 0.00 0.00 178.15 179.35 2crw n THR 46 N -4.41 -0.46 0.04 -0.27 -1.04 -1.26 0.14 114.28 107.02 2crw n THR 46 Ca 0.02 2.06 0.09 0.00 -2.04 0.00 0.00 64.05 64.18 2crw n THR 46 Cb 0.24 -2.59 0.27 0.00 -1.82 0.00 0.00 70.33 66.43 2crw n THR 46 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2crw n TYR 47 N -4.54 0.90 -4.21 -1.42 4.02 -1.22 -4.49 117.16 106.19 2crw n TYR 47 Ca 0.01 -0.42 -0.34 0.00 -0.01 0.00 0.00 57.90 57.15 2crw n TYR 47 Cb 0.18 -0.05 -0.04 0.00 -0.02 0.00 0.00 39.34 39.40 2crw n TYR 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2crw n GLY 48 N 1.32 -0.35 3.59 2.72 0.00 0.12 -4.46 105.19 108.13 2crw n GLY 48 Ca 0.20 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 46.09 2crw n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2crw s VAL 49 N -3.58 1.87 -0.04 1.61 -7.23 -0.31 0.36 120.40 113.09 2crw s VAL 49 Ca 0.49 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.63 2crw s VAL 49 Cb -0.27 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.68 2crw s VAL 49 CO 0.94 -0.01 0.11 -0.36 -0.31 0.00 0.00 175.10 175.47 2crw s PHE 50 N -2.81 3.40 0.17 2.82 0.08 -1.26 -0.57 117.98 119.82 2crw s PHE 50 Ca 0.35 0.31 -0.00 0.00 0.12 0.00 0.00 56.93 57.71 2crw s PHE 50 Cb 0.10 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.69 2crw s PHE 50 CO 0.18 0.60 0.07 -0.51 -0.10 0.00 0.00 175.22 175.46 2crw s LEU 51 N -1.51 1.67 0.05 -0.37 1.43 -0.62 -1.32 118.68 118.00 2crw s LEU 51 Ca 0.21 -1.27 0.05 0.00 -1.03 0.00 0.00 54.13 52.09 2crw s LEU 51 Cb -0.12 0.21 -0.04 0.00 0.03 0.00 0.00 46.19 46.27 2crw s LEU 51 CO 0.11 -0.72 -0.10 0.00 0.23 0.00 0.00 176.35 175.87 2crw n ILE 53 N 1.22 -0.21 0.00 0.00 0.13 -1.26 -0.06 119.36 119.17 2crw n ILE 53 Ca -0.15 1.16 0.00 0.00 -1.10 0.00 0.00 62.75 62.67 2crw n ILE 53 Cb 0.52 -1.90 0.00 0.00 -0.84 0.00 0.00 39.64 37.43 2crw n ILE 53 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 2crw n ASP 54 N -4.17 0.00 0.08 9.51 2.03 -1.26 -3.38 116.55 119.36 2crw n ASP 54 Ca 0.23 0.75 -0.13 0.00 0.52 0.00 0.00 54.79 56.17 2crw n ASP 54 Cb 0.84 -0.41 -0.06 0.00 -0.72 0.00 0.00 41.12 40.77 2crw n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2crw n SER 56 N -5.42 0.14 -0.06 0.00 3.41 0.91 0.16 113.62 112.75 2crw n SER 56 Ca -0.06 0.90 -0.07 0.00 -0.26 0.00 0.00 58.87 59.38 2crw n SER 56 Cb 0.34 -0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 2crw n SER 56 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2crw h GLY 57 N 0.00 0.23 -0.05 5.00 0.00 -1.28 -1.76 103.07 105.21 2crw h GLY 57 Ca 0.58 0.04 0.12 0.00 0.00 0.00 0.00 47.33 48.08 2crw h GLY 57 CO -0.30 -0.07 -0.02 0.23 0.00 0.00 0.00 176.54 176.39 2crw h SER 58 N 0.06 -0.30 -0.11 0.19 0.87 0.15 -1.00 113.55 113.41 2crw h SER 58 Ca 0.12 0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2crw h SER 58 Cb 0.17 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2crw h SER 58 CO -0.22 -0.12 0.07 0.45 -0.53 0.00 0.00 176.83 176.47 2crw h HIS 59 N 0.10 0.14 -0.94 2.24 3.86 -1.49 -2.42 115.15 116.64 2crw h HIS 59 Ca 0.31 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.70 2crw h HIS 59 Cb 0.50 -0.05 -0.08 0.00 1.06 0.00 0.00 27.41 28.84 2crw h HIS 59 CO -0.37 0.12 0.60 0.00 0.86 0.00 0.00 177.93 179.14 2crw h ARG 60 N 0.12 0.63 -0.16 2.45 3.08 -0.37 -1.14 114.38 119.00 2crw h ARG 60 Ca 0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2crw h ARG 60 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2crw h ARG 60 CO -0.01 0.42 0.08 0.77 -1.07 0.00 0.00 179.97 180.16 2crw h SER 61 N 0.65 0.21 -0.43 7.04 0.02 -0.74 -3.08 113.55 117.22 2crw h SER 61 Ca 0.50 -0.13 0.09 0.00 -0.84 0.00 0.00 61.79 61.41 2crw h SER 61 Cb 0.90 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 63.29 2crw h SER 61 CO -0.26 0.28 -0.28 -0.07 -1.14 0.00 0.00 176.83 175.36 2crw h LEU 62 N 0.13 -0.93 0.00 5.07 3.38 -0.94 -3.47 115.31 118.54 2crw h LEU 62 Ca 0.05 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2crw h LEU 62 Cb 0.12 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2crw h LEU 62 CO -0.01 -0.29 0.00 0.61 0.09 0.00 0.00 178.44 178.85 2crw n GLY 63 N -1.41 3.77 0.58 0.83 0.00 -1.12 -4.80 105.19 103.04 2crw n GLY 63 Ca 0.02 -0.51 0.39 0.00 0.00 0.00 0.00 46.02 45.92 2crw n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2crw n VAL 64 N 0.00 0.00 -0.06 1.61 0.24 -1.26 0.21 118.33 119.07 2crw n VAL 64 Ca 0.00 1.25 -0.13 0.00 -2.04 0.00 0.00 64.34 63.42 2crw n VAL 64 Cb 0.00 -2.14 -0.07 0.00 -1.47 0.00 0.00 33.84 30.16 2crw n VAL 64 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 2crw h HIS 65 N 0.00 0.52 0.03 6.34 -0.00 -1.96 -2.92 115.15 117.16 2crw h HIS 65 Ca 0.69 -0.16 -0.00 0.00 -0.00 0.00 0.00 60.37 60.90 2crw h HIS 65 Cb 3.10 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 30.40 2crw h HIS 65 CO 0.00 0.81 -0.01 1.25 -0.00 0.00 0.00 177.93 179.97 2crw h LEU 66 N 0.08 -0.03 -6.66 6.12 5.85 0.21 -3.43 115.31 117.46 2crw h LEU 66 Ca 0.03 -0.37 -0.33 0.00 0.84 0.00 0.00 57.88 58.04 2crw h LEU 66 Cb 0.72 0.01 -0.35 0.00 0.37 0.00 0.00 40.66 41.41 2crw h LEU 66 CO 0.04 0.36 -0.63 -0.55 -0.34 0.00 0.00 178.44 177.32 2crw s SER 67 N -5.55 1.59 0.02 1.25 0.15 -0.80 -4.98 113.70 105.38 2crw s SER 67 Ca -0.15 -0.48 -0.30 0.00 0.70 0.00 0.00 55.95 55.72 2crw s SER 67 Cb 0.02 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 2crw s SER 67 CO 0.66 -0.36 1.12 0.12 1.20 0.00 0.00 173.24 175.98 2crw s PHE 68 N 2.34 3.47 -0.10 3.44 5.36 -1.10 -4.36 117.98 127.03 2crw s PHE 68 Ca 0.08 1.43 -0.01 0.00 -0.96 0.00 0.00 56.93 57.47 2crw s PHE 68 Cb -0.15 -3.32 -0.03 0.00 -0.34 0.00 0.00 43.02 39.19 2crw s PHE 68 CO -0.22 -0.84 -0.06 0.42 -1.46 0.00 0.00 175.22 173.06 2crw s ILE 69 N 1.27 3.78 -0.08 3.12 -1.09 -1.26 -2.74 121.20 124.19 2crw s ILE 69 Ca 0.56 -0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 58.47 2crw s ILE 69 Cb -0.26 -2.58 0.02 0.00 -1.58 0.00 0.00 42.46 38.06 2crw s ILE 69 CO 0.27 0.56 0.22 -0.13 -1.23 0.00 0.00 174.94 174.64 2crw s ARG 70 N -0.39 0.25 0.40 2.79 1.81 -0.76 -5.01 118.95 118.05 2crw s ARG 70 Ca 0.06 0.32 -0.15 0.00 -1.72 0.00 0.00 55.73 54.24 2crw s ARG 70 Cb -0.12 0.11 -0.09 0.00 -0.45 0.00 0.00 34.95 34.40 2crw s ARG 70 CO 0.02 -0.04 0.83 -1.12 -0.68 0.00 0.00 175.30 174.31 2crw s SER 71 N 0.18 6.72 -0.24 0.23 0.01 -1.26 -1.80 113.70 117.55 2crw s SER 71 Ca -0.01 1.38 -0.17 0.00 1.31 0.00 0.00 55.95 58.46 2crw s SER 71 Cb -0.02 -2.42 -0.14 0.00 0.21 0.00 0.00 66.02 63.65 2crw s SER 71 CO -0.00 -0.35 -0.11 0.35 0.41 0.00 0.00 173.24 173.54 2crw n THR 72 N -0.86 1.52 0.07 1.44 -2.24 -1.24 -3.84 114.28 109.13 2crw n THR 72 Ca 0.04 -0.17 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2crw n THR 72 Cb 0.54 -2.01 -0.02 0.00 -2.10 0.00 0.00 70.33 66.74 2crw n THR 72 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2crw h GLU 73 N -1.00 -0.21 0.38 -0.78 5.08 -1.96 -3.39 114.58 112.71 2crw h GLU 73 Ca -0.47 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 2crw h GLU 73 Cb 1.38 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 2crw h GLU 73 CO -0.28 -0.14 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.11 2crw h LEU 74 N -0.53 -1.14 -9.25 1.33 3.38 -1.97 -3.40 115.31 103.74 2crw h LEU 74 Ca -0.02 0.09 -0.56 0.00 0.09 0.00 0.00 57.88 57.48 2crw h LEU 74 Cb 0.16 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2crw h LEU 74 CO 0.04 -0.53 0.54 -0.62 0.09 0.00 0.00 178.44 177.95 2crw s ASP 75 N -3.96 7.20 -0.14 -0.43 -1.08 -1.25 -4.92 116.67 112.10 2crw s ASP 75 Ca -0.14 1.48 0.17 0.00 -0.52 0.00 0.00 52.55 53.54 2crw s ASP 75 Cb 0.04 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.38 2crw s ASP 75 CO 0.48 -0.44 1.20 -1.20 0.52 0.00 0.00 175.17 175.73 2crw n SER 76 N 5.03 1.59 -2.08 -0.34 7.64 -1.26 -4.04 113.62 120.16 2crw n SER 76 Ca 0.08 -3.10 -0.26 0.00 1.01 0.00 0.00 58.87 56.60 2crw n SER 76 Cb 0.49 -0.43 0.03 0.00 -1.01 0.00 0.00 64.21 63.28 2crw n SER 76 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2crw n ASN 77 N -0.46 5.29 -4.61 6.43 3.02 -1.26 -4.25 115.26 119.42 2crw n ASN 77 Ca 0.15 -3.75 -0.29 0.00 -0.03 0.00 0.00 54.58 50.66 2crw n ASN 77 Cb 0.88 -0.43 0.17 0.00 -0.61 0.00 0.00 39.78 39.79 2crw n ASN 77 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2crw s TRP 78 N -3.63 2.10 -0.07 3.10 0.52 -1.26 -5.06 118.94 114.63 2crw s TRP 78 Ca 0.53 0.83 0.02 0.00 0.02 0.00 0.00 56.10 57.50 2crw s TRP 78 Cb 0.42 -3.38 -0.02 0.00 -1.15 0.00 0.00 33.47 29.33 2crw s TRP 78 CO 0.02 -2.76 -0.14 -1.12 0.02 0.00 0.00 176.95 172.97 2crw s SER 79 N -3.84 4.06 0.18 2.95 0.01 -1.26 -4.47 113.70 111.33 2crw s SER 79 Ca 0.66 -0.22 -0.17 0.00 1.31 0.00 0.00 55.95 57.53 2crw s SER 79 Cb -0.15 -1.07 0.14 0.00 0.21 0.00 0.00 66.02 65.15 2crw s SER 79 CO 0.55 0.30 1.28 0.79 0.41 0.00 0.00 173.24 176.57 2crw n TRP 80 N 2.62 -0.06 -0.17 2.43 5.03 -1.26 0.11 117.44 126.14 2crw n TRP 80 Ca -0.17 1.02 -0.03 0.00 3.03 0.00 0.00 57.50 61.34 2crw n TRP 80 Cb 0.52 -0.75 0.06 0.00 -1.03 0.00 0.00 31.31 30.11 2crw n TRP 80 CO 0.00 0.00 0.00 0.35 -0.03 0.00 0.00 177.69 178.01 2crw h PHE 81 N 0.00 0.44 0.00 -5.99 3.57 -1.95 -0.72 116.94 112.29 2crw h PHE 81 Ca 0.25 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 2crw h PHE 81 Cb 0.46 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2crw h PHE 81 CO -0.75 0.19 -0.25 1.96 -2.23 0.00 0.00 178.31 177.23 2crw h GLN 82 N 0.47 0.00 0.02 1.11 4.20 0.40 -2.53 115.11 118.78 2crw h GLN 82 Ca 0.24 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 2crw h GLN 82 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2crw h GLN 82 CO -0.19 0.25 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.14 2crw h LEU 83 N 0.00 -0.03 -0.78 1.46 -0.00 0.18 -3.18 115.31 112.97 2crw h LEU 83 Ca -0.00 -0.33 -0.03 0.00 -0.00 0.00 0.00 57.88 57.52 2crw h LEU 83 Cb 0.54 0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.17 2crw h LEU 83 CO 0.03 0.32 0.38 0.03 -0.00 0.00 0.00 178.44 179.20 2crw h ARG 84 N -0.38 1.12 -0.91 1.13 2.47 -1.27 -2.96 114.38 113.58 2crw h ARG 84 Ca -0.00 -0.16 0.19 0.00 -1.26 0.00 0.00 59.98 58.75 2crw h ARG 84 Cb 0.36 -0.20 -0.17 0.00 -1.65 0.00 0.00 29.97 28.30 2crw h ARG 84 CO 0.01 0.87 -0.19 0.00 0.56 0.00 0.00 179.97 181.21 2crw h MET 86 N 0.00 0.58 -0.12 0.00 2.86 -1.60 -2.43 114.93 114.23 2crw h MET 86 Ca 0.46 -0.10 -0.17 0.00 -2.06 0.00 0.00 59.70 57.83 2crw h MET 86 Cb 0.74 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.31 2crw h MET 86 CO -0.92 0.53 -0.60 1.96 1.06 0.00 0.00 176.91 178.94 2crw h GLN 87 N 0.57 0.61 -0.58 1.72 4.20 0.31 -2.90 115.11 119.05 2crw h GLN 87 Ca 0.13 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.34 2crw h GLN 87 Cb 0.21 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2crw h GLN 87 CO -0.01 1.12 0.00 1.33 -0.67 0.00 0.00 178.83 180.61 2crw n VAL 88 N -4.13 0.00 0.00 -0.54 0.24 0.13 -4.64 118.33 109.39 2crw n VAL 88 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2crw n VAL 88 Cb 0.65 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 2crw n VAL 88 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2crw n GLY 89 N 0.20 2.36 0.00 7.63 0.00 -0.94 -4.79 105.19 109.65 2crw n GLY 89 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2crw n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2crw n GLY 90 N 0.55 0.09 0.25 -0.02 0.00 0.16 -4.28 105.19 101.93 2crw n GLY 90 Ca 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 2crw n GLY 90 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2crw h ASN 91 N 0.00 -0.65 -0.42 1.61 4.21 -1.76 -3.17 115.58 115.40 2crw h ASN 91 Ca 0.00 0.04 0.04 0.00 1.21 0.00 0.00 56.30 57.59 2crw h ASN 91 Cb 0.00 0.20 -0.05 0.00 -1.12 0.00 0.00 38.32 37.35 2crw h ASN 91 CO 0.00 -0.36 -0.25 0.00 -1.29 0.00 0.00 177.43 175.53 2crw n ALA 92 N -2.46 -0.27 -0.13 -0.83 0.00 -1.26 -0.30 120.51 115.25 2crw n ALA 92 Ca -0.07 0.36 -0.04 0.00 0.00 0.00 0.00 53.44 53.70 2crw n ALA 92 Cb 0.24 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 2crw n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2crw n SER 93 N -4.03 -0.34 -0.10 0.00 2.88 -1.20 0.60 113.62 111.42 2crw n SER 93 Ca 0.01 0.81 -0.10 0.00 -1.33 0.00 0.00 58.87 58.25 2crw n SER 93 Cb 0.11 -0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 63.35 2crw n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2crw h ALA 94 N -0.08 0.41 -1.27 -1.46 0.00 -0.96 0.21 119.26 116.11 2crw h ALA 94 Ca 0.05 -0.19 0.45 0.00 0.00 0.00 0.00 54.91 55.21 2crw h ALA 94 Cb 0.13 -0.12 -0.13 0.00 0.00 0.00 0.00 17.79 17.67 2crw h ALA 94 CO -0.30 0.10 0.81 0.45 0.00 0.00 0.00 179.25 180.31 2crw n SER 95 N -4.62 0.21 -0.12 0.00 2.88 0.20 -1.49 113.62 110.67 2crw n SER 95 Ca -0.02 1.33 -0.25 0.00 -1.33 0.00 0.00 58.87 58.59 2crw n SER 95 Cb 0.21 -0.65 -0.09 0.00 -0.75 0.00 0.00 64.21 62.93 2crw n SER 95 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2crw n SER 96 N -4.63 1.82 -0.29 -3.46 7.64 -0.59 -4.38 113.62 109.73 2crw n SER 96 Ca 0.38 0.24 0.01 0.00 1.01 0.00 0.00 58.87 60.51 2crw n SER 96 Cb 1.46 -0.68 0.05 0.00 -1.01 0.00 0.00 64.21 64.02 2crw n SER 96 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2crw n PHE 97 N -3.99 0.09 0.25 1.43 -0.00 0.72 -0.35 117.46 115.61 2crw n PHE 97 Ca -0.48 0.94 -0.16 0.00 -0.00 0.00 0.00 57.45 57.75 2crw n PHE 97 Cb 0.86 -0.82 -0.08 0.00 -0.00 0.00 0.00 39.48 39.43 2crw n PHE 97 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.76 177.50 2crw h PHE 98 N 0.00 -1.19 -0.40 -5.13 0.04 -1.57 -2.28 116.94 106.40 2crw h PHE 98 Ca 0.29 0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.15 2crw h PHE 98 Cb 0.48 0.46 -0.09 0.00 2.20 0.00 0.00 35.95 39.00 2crw h PHE 98 CO -0.65 -0.58 -0.32 1.25 -0.60 0.00 0.00 178.31 177.42 2crw h HIS 99 N -0.87 -0.87 -0.99 -0.55 2.76 -0.82 0.84 115.15 114.66 2crw h HIS 99 Ca -0.06 0.06 0.30 0.00 -2.20 0.00 0.00 60.37 58.47 2crw h HIS 99 Cb 0.75 0.44 -0.14 0.00 1.55 0.00 0.00 27.41 30.01 2crw h HIS 99 CO -0.22 -0.37 0.53 1.96 -1.30 0.00 0.00 177.93 178.52 2crw h GLN 100 N -0.24 0.34 -1.35 5.26 1.08 -0.58 0.70 115.11 120.32 2crw h GLN 100 Ca 0.18 -0.02 -0.33 0.00 -1.45 0.00 0.00 58.65 57.03 2crw h GLN 100 Cb 0.53 -0.08 -0.15 0.00 -0.05 0.00 0.00 27.48 27.73 2crw h GLN 100 CO -0.54 0.22 0.42 0.72 -0.95 0.00 0.00 178.83 178.71 2crw n HIS 101 N -5.05 1.65 -3.96 2.96 8.25 0.22 -4.86 115.22 114.44 2crw n HIS 101 Ca 0.30 -1.82 -0.26 0.00 -0.26 0.00 0.00 57.72 55.68 2crw n HIS 101 Cb 0.90 -0.89 -0.08 0.00 1.12 0.00 0.00 29.99 31.05 2crw n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2crw n GLY 102 N 0.08 -0.12 2.56 -1.41 0.00 0.25 -4.85 105.19 101.69 2crw n GLY 102 Ca 0.32 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 46.20 2crw n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crw n SER 104 N 2.71 7.53 -4.67 0.00 2.88 -1.26 -3.96 113.62 116.85 2crw n SER 104 Ca 0.25 -3.80 -0.42 0.00 -1.33 0.00 0.00 58.87 53.56 2crw n SER 104 Cb 0.43 -0.97 -0.03 0.00 -0.75 0.00 0.00 64.21 62.89 2crw n SER 104 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2crw s THR 105 N -4.89 3.88 0.07 2.46 2.01 -1.26 -4.91 115.64 113.00 2crw s THR 105 Ca 0.61 1.16 -0.05 0.00 0.31 0.00 0.00 61.69 63.72 2crw s THR 105 Cb 0.49 -3.75 -0.29 0.00 0.01 0.00 0.00 72.50 68.96 2crw s THR 105 CO -0.11 -0.06 1.13 -0.55 -0.69 0.00 0.00 174.62 174.35 2crw h ASN 106 N 8.34 0.46 -1.91 3.53 -1.07 -1.99 -3.43 115.58 119.52 2crw h ASN 106 Ca -0.35 -0.49 -0.35 0.00 0.07 0.00 0.00 56.30 55.19 2crw h ASN 106 Cb 1.16 -0.15 0.19 0.00 -2.07 0.00 0.00 38.32 37.44 2crw h ASN 106 CO 0.93 1.38 -0.98 0.47 0.07 0.00 0.00 177.43 179.30 2crw n ASP 107 N -3.55 -2.72 -0.03 6.14 9.92 -1.26 -4.90 116.55 120.15 2crw n ASP 107 Ca -0.09 -0.21 -0.05 0.00 -0.53 0.00 0.00 54.79 53.90 2crw n ASP 107 Cb 1.03 -0.79 -0.03 0.00 -0.64 0.00 0.00 41.12 40.69 2crw n ASP 107 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2crw n THR 108 N -4.23 0.37 0.93 -3.53 -1.04 -1.26 -3.69 114.28 101.83 2crw n THR 108 Ca 0.02 -0.13 0.11 0.00 -2.04 0.00 0.00 64.05 62.01 2crw n THR 108 Cb 0.51 -0.92 0.54 0.00 -1.82 0.00 0.00 70.33 68.64 2crw n THR 108 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2crw n ASN 109 N -2.82 0.00 -0.03 8.00 2.85 -1.26 -2.99 115.26 119.01 2crw n ASN 109 Ca -0.12 0.26 -0.07 0.00 -0.11 0.00 0.00 54.58 54.54 2crw n ASN 109 Cb 0.62 -0.41 -0.02 0.00 1.24 0.00 0.00 39.78 41.20 2crw n ASN 109 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2crw n ALA 110 N -1.41 2.55 -0.27 5.20 0.00 -1.26 -4.10 120.51 121.22 2crw n ALA 110 Ca 0.08 -0.27 0.07 0.00 0.00 0.00 0.00 53.44 53.31 2crw n ALA 110 Cb 0.23 0.41 0.21 0.00 0.00 0.00 0.00 19.45 20.30 2crw n ALA 110 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2crw h LYS 111 N -0.24 0.44 0.00 0.00 3.64 -1.67 0.66 116.57 119.40 2crw h LYS 111 Ca -0.17 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.05 2crw h LYS 111 Cb 1.15 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 2crw h LYS 111 CO -0.10 0.29 -0.69 1.88 -2.27 0.00 0.00 179.45 178.55 2crw h TYR 112 N 0.45 0.00 -0.29 1.91 0.05 -1.79 -3.22 116.97 114.08 2crw h TYR 112 Ca 0.44 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.17 2crw h TYR 112 Cb 0.69 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.41 2crw h TYR 112 CO -0.16 0.58 0.06 0.09 -1.05 0.00 0.00 178.16 177.68 2crw n ASN 113 N -3.20 3.14 -4.93 3.88 3.02 0.11 -4.40 115.26 112.88 2crw n ASN 113 Ca 0.00 -2.47 -0.21 0.00 -0.03 0.00 0.00 54.58 51.87 2crw n ASN 113 Cb 0.78 -0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 2crw n ASN 113 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2crw s SER 114 N -0.27 5.08 0.02 6.41 1.04 -0.52 -4.94 113.70 120.51 2crw s SER 114 Ca 0.24 -0.80 -0.26 0.00 0.48 0.00 0.00 55.95 55.61 2crw s SER 114 Cb 0.19 -0.27 -0.16 0.00 0.10 0.00 0.00 66.02 65.88 2crw s SER 114 CO 0.07 -0.86 1.26 -0.09 0.98 0.00 0.00 173.24 174.59 2crw h ARG 115 N 0.78 -0.59 -0.68 4.02 9.65 -1.90 -2.53 114.38 123.14 2crw h ARG 115 Ca -0.38 0.04 0.13 0.00 -1.10 0.00 0.00 59.98 58.67 2crw h ARG 115 Cb 1.28 0.13 -0.13 0.00 -1.39 0.00 0.00 29.97 29.86 2crw h ARG 115 CO 0.53 -0.29 -0.22 0.00 2.80 0.00 0.00 179.97 182.79 2crw h ALA 116 N -0.51 0.32 -0.35 2.80 0.00 -1.91 0.16 119.26 119.77 2crw h ALA 116 Ca -0.06 0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2crw h ALA 116 Cb 0.57 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2crw h ALA 116 CO 0.10 -0.49 0.07 0.00 0.00 0.00 0.00 179.25 178.93 2crw h ALA 117 N 1.50 0.37 0.89 0.00 0.00 -1.75 -2.56 119.26 117.72 2crw h ALA 117 Ca 0.31 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 2crw h ALA 117 Cb 0.53 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.42 2crw h ALA 117 CO -0.72 -0.34 -0.43 1.96 0.00 0.00 0.00 179.25 179.73 2crw h GLN 118 N 0.19 -1.16 -1.31 0.00 1.08 -0.53 -2.54 115.11 110.84 2crw h GLN 118 Ca 0.17 0.08 0.45 0.00 -1.45 0.00 0.00 58.65 57.90 2crw h GLN 118 Cb 0.19 0.26 -0.14 0.00 -0.05 0.00 0.00 27.48 27.75 2crw h GLN 118 CO -0.22 -0.77 0.83 -0.07 -0.95 0.00 0.00 178.83 177.65 2crw h LEU 119 N -1.20 0.24 0.48 1.46 3.38 -0.64 -0.13 115.31 118.90 2crw h LEU 119 Ca -0.12 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2crw h LEU 119 Cb 0.92 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2crw h LEU 119 CO 0.20 -0.24 -0.23 0.22 0.09 0.00 0.00 178.44 178.48 2crw h TYR 120 N 0.05 -0.60 -0.42 1.13 5.03 -1.04 -2.92 116.97 118.20 2crw h TYR 120 Ca 0.85 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 62.18 2crw h TYR 120 Cb 2.64 0.20 -0.05 0.00 1.55 0.00 0.00 36.73 41.06 2crw h TYR 120 CO -0.01 -0.37 -0.25 0.54 -1.32 0.00 0.00 178.16 176.75 2crw n ARG 121 N -4.21 -0.18 -0.16 1.82 1.74 -0.07 -0.08 116.66 115.51 2crw n ARG 121 Ca -0.08 0.91 -0.11 0.00 -0.77 0.00 0.00 57.85 57.80 2crw n ARG 121 Cb 0.25 -1.35 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 2crw n ARG 121 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2crw h GLU 122 N 0.00 -0.31 -0.91 5.56 5.08 -1.61 -1.14 114.58 121.25 2crw h GLU 122 Ca 0.07 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.59 2crw h GLU 122 Cb 0.17 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.34 2crw h GLU 122 CO -0.39 -0.20 -0.38 -0.22 -1.00 0.00 0.00 179.01 176.81 2crw h LYS 123 N -0.32 -0.03 -0.81 2.33 3.64 -0.28 0.33 116.57 121.43 2crw h LYS 123 Ca 0.13 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.69 2crw h LYS 123 Cb 0.58 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.26 2crw h LYS 123 CO -0.63 -0.02 -0.05 0.82 -2.27 0.00 0.00 179.45 177.31 2crw h ILE 124 N -0.03 0.24 -0.02 2.00 1.08 -0.37 -0.63 117.51 119.78 2crw h ILE 124 Ca 0.32 -0.02 0.03 0.00 -0.39 0.00 0.00 64.86 64.80 2crw h ILE 124 Cb 0.59 0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 34.46 2crw h ILE 124 CO -0.93 0.01 -0.45 0.50 -0.69 0.00 0.00 178.15 176.60 2crw h LYS 125 N 0.06 -0.57 0.05 2.37 3.64 -0.19 0.57 116.57 122.51 2crw h LYS 125 Ca 0.44 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.86 2crw h LYS 125 Cb 0.77 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 2crw h LYS 125 CO -0.76 -0.38 -0.24 1.03 -2.27 0.00 0.00 179.45 176.84 2crw h SER 126 N -0.59 -0.71 -0.92 4.20 0.87 -0.97 -0.35 113.55 115.08 2crw h SER 126 Ca 0.04 0.07 0.22 0.00 -1.23 0.00 0.00 61.79 60.90 2crw h SER 126 Cb 0.67 0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.83 2crw h SER 126 CO -0.34 -0.25 0.62 -0.07 -0.53 0.00 0.00 176.83 176.26 2crw h LEU 127 N -0.33 0.34 -0.34 2.23 3.38 -1.24 0.02 115.31 119.37 2crw h LEU 127 Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2crw h LEU 127 Cb 0.34 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2crw h LEU 127 CO -0.13 0.12 0.18 0.00 0.09 0.00 0.00 178.44 178.71 2crw h ALA 128 N 1.60 0.44 -0.83 1.53 0.00 0.13 -2.66 119.26 119.48 2crw h ALA 128 Ca 0.48 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.35 2crw h ALA 128 Cb 1.31 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2crw h ALA 128 CO -0.17 -0.02 0.54 0.66 0.00 0.00 0.00 179.25 180.27 2crw h SER 129 N 0.43 0.87 0.00 0.00 4.64 0.64 -2.55 113.55 117.58 2crw h SER 129 Ca 0.12 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2crw h SER 129 Cb 0.08 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2crw h SER 129 CO -0.02 0.59 0.00 0.00 -0.87 0.00 0.00 176.83 176.53 2crw n GLN 130 N -4.45 0.00 -0.22 4.77 1.13 -1.01 0.84 117.38 118.44 2crw n GLN 130 Ca 0.11 0.62 -0.01 0.00 -1.94 0.00 0.00 57.00 55.78 2crw n GLN 130 Cb 0.13 -1.39 0.06 0.00 0.11 0.00 0.00 30.24 29.15 2crw n GLN 130 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2crw h ALA 131 N -1.64 0.40 -1.71 -1.58 0.00 -1.53 0.33 119.26 113.52 2crw h ALA 131 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2crw h ALA 131 Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2crw h ALA 131 CO 0.00 -0.44 0.00 2.41 0.00 0.00 0.00 179.25 181.22 2crw n THR 132 N -5.44 0.00 -0.33 0.00 -1.04 -0.96 -3.06 114.28 103.45 2crw n THR 132 Ca 0.08 1.22 0.21 0.00 -2.04 0.00 0.00 64.05 63.51 2crw n THR 132 Cb 0.33 -2.18 0.41 0.00 -1.82 0.00 0.00 70.33 67.07 2crw n THR 132 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2crw h ARG 133 N 0.00 0.06 0.00 -2.82 2.43 0.53 -0.78 114.38 113.80 2crw h ARG 133 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2crw h ARG 133 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2crw h ARG 133 CO 0.00 0.04 0.00 1.17 -1.51 0.00 0.00 179.97 179.67 2crw n LYS 134 N -5.34 0.00 -2.41 0.20 3.00 0.11 -2.22 118.16 111.51 2crw n LYS 134 Ca 0.29 0.40 -0.20 0.00 -0.00 0.00 0.00 58.31 58.79 2crw n LYS 134 Cb 0.94 -0.61 0.02 0.00 0.00 0.00 0.00 35.03 35.38 2crw n LYS 134 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2crw n HIS 135 N -2.12 2.60 0.00 5.64 -0.00 -0.92 -5.08 115.22 115.34 2crw n HIS 135 Ca 0.00 -2.67 0.00 0.00 0.46 0.00 0.00 57.72 55.51 2crw n HIS 135 Cb 0.00 -0.23 0.00 0.00 -0.12 0.00 0.00 29.99 29.64 2crw n HIS 135 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2crw n GLY 136 N -0.50 2.65 0.12 1.57 0.00 -0.35 -1.49 105.19 107.21 2crw n GLY 136 Ca 0.32 0.19 -0.16 0.00 0.00 0.00 0.00 46.02 46.37 2crw n GLY 136 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2crw h THR 137 N 0.00 1.46 -0.16 2.61 1.35 -1.94 -3.42 112.91 112.81 2crw h THR 137 Ca 0.00 -1.94 -0.17 0.00 -0.55 0.00 0.00 66.41 63.75 2crw h THR 137 Cb 0.00 2.57 -0.06 0.00 -1.73 0.00 0.00 68.15 68.93 2crw h THR 137 CO 0.00 0.55 1.00 -0.67 -0.25 0.00 0.00 175.52 176.15 2crw n ASP 138 N -4.36 0.10 -4.36 5.36 -0.08 -0.55 -4.74 116.55 107.92 2crw n ASP 138 Ca -0.10 -1.09 -0.61 0.00 -1.51 0.00 0.00 54.79 51.49 2crw n ASP 138 Cb 0.57 -1.09 -0.11 0.00 2.34 0.00 0.00 41.12 42.83 2crw n ASP 138 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2crw n LEU 139 N 12.05 0.95 -0.14 -2.67 -0.00 -1.26 -4.57 117.00 121.36 2crw n LEU 139 Ca 0.55 0.76 0.12 0.00 -0.00 0.00 0.00 56.01 57.44 2crw n LEU 139 Cb 0.30 -0.93 0.23 0.00 -0.00 0.00 0.00 43.42 43.02 2crw n LEU 139 CO 0.80 -0.77 0.43 -2.67 -0.00 0.00 0.00 177.39 175.18 2crw n TRP 140 N 7.01 0.45 -1.29 1.47 2.14 -1.26 -4.43 117.44 121.53 2crw n TRP 140 Ca 0.49 0.51 -0.38 0.00 2.07 0.00 0.00 57.50 60.19 2crw n TRP 140 Cb -0.02 -0.93 0.02 0.00 -0.81 0.00 0.00 31.31 29.57 2crw n TRP 140 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 2crw n LEU 141 N -4.07 -2.40 -2.11 5.67 4.77 -1.26 -4.78 117.00 112.83 2crw n LEU 141 Ca 0.15 0.65 -0.17 0.00 -0.03 0.00 0.00 56.01 56.61 2crw n LEU 141 Cb 0.51 -0.95 -0.07 0.00 -2.33 0.00 0.00 43.42 40.58 2crw n LEU 141 CO -0.00 -4.31 1.45 -0.90 -1.33 0.00 0.00 177.39 172.30 2crw n ASP 142 N 1.89 5.96 -4.83 -1.43 5.68 -1.26 -4.93 116.55 117.62 2crw n ASP 142 Ca 0.09 -2.86 -0.34 0.00 -0.50 0.00 0.00 54.79 51.18 2crw n ASP 142 Cb 0.48 -1.24 -0.06 0.00 -1.14 0.00 0.00 41.12 39.15 2crw n ASP 142 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2crw s SER 143 N 1.02 6.92 0.09 -1.12 0.15 -1.26 -5.08 113.70 114.42 2crw s SER 143 Ca 0.49 1.42 0.10 0.00 0.70 0.00 0.00 55.95 58.65 2crw s SER 143 Cb 0.29 -2.42 -0.03 0.00 -1.71 0.00 0.00 66.02 62.14 2crw s SER 143 CO -0.09 -0.15 -0.26 -0.94 1.20 0.00 0.00 173.24 173.01 2crw s SER 144 N -2.03 3.13 0.00 5.45 1.04 -1.26 -5.06 113.70 114.97 2crw s SER 144 Ca 0.52 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2crw s SER 144 Cb -0.13 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2crw s SER 144 CO 0.18 0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.21 2crw n GLY 145 N 1.31 1.35 3.75 7.32 0.00 -1.26 -5.13 105.19 112.53 2crw n GLY 145 Ca -0.18 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 2crw n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crw s PRO 146 N -1.47 1.83 0.49 1.61 0.04 -1.26 -5.08 135.00 131.16 2crw s PRO 146 Ca 0.00 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.08 2crw s PRO 146 Cb 0.00 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 2crw s PRO 146 CO 0.00 -1.90 0.01 -1.12 0.04 0.00 0.00 177.00 174.03 2crw s SER 147 N -3.41 4.01 0.29 6.66 0.01 -1.26 -5.05 113.70 114.95 2crw s SER 147 Ca 0.62 -1.60 0.10 0.00 1.31 0.00 0.00 55.95 56.38 2crw s SER 147 Cb -0.17 0.35 -0.05 0.00 0.21 0.00 0.00 66.02 66.36 2crw s SER 147 CO 0.56 -0.78 -0.07 -0.55 0.41 0.00 0.00 173.24 172.81 2crw s SER 148 N -3.83 4.12 0.00 2.44 0.15 -1.26 -5.10 113.70 110.21 2crw s SER 148 Ca 0.12 -0.86 0.28 0.00 0.70 0.00 0.00 55.95 56.19 2crw s SER 148 Cb 0.03 -0.58 0.96 0.00 -1.71 0.00 0.00 66.02 64.72 2crw s SER 148 CO 0.06 -0.03 1.70 0.61 1.20 0.00 0.00 173.24 176.77