#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 4.88 0.04 1.61 0.15 -1.26 -5.02 113.70 114.10 2crw s SER 2 Ca 0.00 -0.12 -0.26 0.00 0.70 0.00 0.00 55.95 56.27 2crw s SER 2 Cb 0.00 -1.81 -0.17 0.00 -1.71 0.00 0.00 66.02 62.33 2crw s SER 2 CO 0.00 0.15 1.45 -1.28 1.20 0.00 0.00 173.24 174.76 2crw h SER 3 N 6.85 -0.21 0.00 5.45 0.87 -2.08 -3.50 113.55 120.94 2crw h SER 3 Ca -0.33 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2crw h SER 3 Cb 1.19 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2crw h SER 3 CO 0.63 0.05 0.00 0.61 -0.53 0.00 0.00 176.83 177.59 2crw n GLY 4 N -0.58 -0.04 3.40 5.77 0.00 -1.26 -5.08 105.19 107.39 2crw n GLY 4 Ca -0.09 -0.85 -0.55 0.00 0.00 0.00 0.00 46.02 44.53 2crw n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2crw n SER 5 N 0.00 1.61 -3.62 1.61 7.64 -1.26 -4.88 113.62 114.72 2crw n SER 5 Ca 0.00 0.58 -0.28 0.00 1.01 0.00 0.00 58.87 60.18 2crw n SER 5 Cb 0.00 -1.11 -0.12 0.00 -1.01 0.00 0.00 64.21 61.98 2crw n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2crw s SER 6 N 6.45 3.06 0.00 6.43 0.15 -1.26 -4.86 113.70 123.67 2crw s SER 6 Ca 1.13 -3.03 0.00 0.00 0.70 0.00 0.00 55.95 54.75 2crw s SER 6 Cb -1.13 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 2crw s SER 6 CO 0.57 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.43 2crw n GLY 7 N 2.98 0.41 3.02 9.45 0.00 -1.26 -5.17 105.19 114.62 2crw n GLY 7 Ca 0.19 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 2crw n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2crw s MET 8 N 0.00 0.41 0.10 1.61 0.00 -1.26 -5.10 119.30 115.06 2crw s MET 8 Ca 0.00 -0.77 -0.18 0.00 0.00 0.00 0.00 55.69 54.74 2crw s MET 8 Cb 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 34.83 34.91 2crw s MET 8 CO 0.00 -0.07 0.57 0.20 0.00 0.00 0.00 175.02 175.72 2crw s GLY 9 N -1.87 2.62 0.68 3.16 0.00 -1.26 -5.04 107.32 105.61 2crw s GLY 9 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 44.72 44.46 2crw s GLY 9 CO -0.03 0.39 0.71 2.09 0.00 0.00 0.00 173.10 176.26 2crw n ASP 10 N 1.45 -0.44 -4.69 1.64 5.75 -1.26 -4.89 116.55 114.11 2crw n ASP 10 Ca -0.09 0.66 -0.42 0.00 -0.01 0.00 0.00 54.79 54.93 2crw n ASP 10 Cb 0.51 -1.29 -0.03 0.00 -1.03 0.00 0.00 41.12 39.29 2crw n ASP 10 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2crw s PRO 11 N -2.81 4.28 0.89 0.11 0.04 -1.26 -5.02 135.00 131.23 2crw s PRO 11 Ca 0.70 2.02 -0.14 0.00 0.04 0.00 0.00 61.00 63.62 2crw s PRO 11 Cb -0.37 -3.53 0.14 0.00 0.04 0.00 0.00 34.50 30.78 2crw s PRO 11 CO 0.54 -0.57 1.25 -1.12 0.04 0.00 0.00 177.00 177.13 2crw s SER 12 N 1.83 3.73 0.08 6.66 0.01 -1.26 -4.46 113.70 120.28 2crw s SER 12 Ca 0.65 0.53 -0.24 0.00 1.31 0.00 0.00 55.95 58.20 2crw s SER 12 Cb -0.33 -0.80 -0.09 0.00 0.21 0.00 0.00 66.02 65.01 2crw s SER 12 CO 0.28 -2.37 1.39 0.50 0.41 0.00 0.00 173.24 173.45 2crw h LYS 13 N -1.38 -0.42 -0.58 12.44 3.64 -1.96 0.13 116.57 128.44 2crw h LYS 13 Ca -0.45 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.01 2crw h LYS 13 Cb 1.28 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 33.12 2crw h LYS 13 CO 0.52 -0.28 -0.44 1.96 -2.27 0.00 0.00 179.45 178.93 2crw h GLN 14 N -0.44 -0.12 -0.26 1.90 4.20 -1.97 -0.11 115.11 118.32 2crw h GLN 14 Ca 0.02 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.80 2crw h GLN 14 Cb 0.50 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.23 2crw h GLN 14 CO -0.30 -0.08 -0.32 -0.44 -0.67 0.00 0.00 178.83 177.02 2crw h ASP 15 N -0.12 -1.03 -1.11 1.46 3.32 -1.86 0.12 116.42 117.21 2crw h ASP 15 Ca 0.10 0.17 0.31 0.00 0.02 0.00 0.00 57.03 57.62 2crw h ASP 15 Cb 0.37 0.46 -0.07 0.00 0.22 0.00 0.00 39.33 40.31 2crw h ASP 15 CO -0.61 -0.34 0.75 0.40 -1.72 0.00 0.00 179.24 177.72 2crw h ILE 16 N -0.32 0.46 -0.03 0.35 2.04 0.62 0.70 117.51 121.33 2crw h ILE 16 Ca 0.13 -0.07 -0.16 0.00 1.00 0.00 0.00 64.86 65.76 2crw h ILE 16 Cb 0.54 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2crw h ILE 16 CO -0.44 0.04 -0.73 -0.07 0.00 0.00 0.00 178.15 176.95 2crw h LEU 17 N 0.20 0.19 -2.07 1.44 3.38 0.96 -2.94 115.31 116.47 2crw h LEU 17 Ca 0.58 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.49 2crw h LEU 17 Cb 1.88 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 2crw h LEU 17 CO -0.17 0.85 0.18 0.74 0.09 0.00 0.00 178.44 180.14 2crw h THR 18 N 0.10 0.77 0.16 0.22 2.02 0.12 0.58 112.91 116.89 2crw h THR 18 Ca -0.02 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.81 2crw h THR 18 Cb 1.28 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2crw h THR 18 CO 0.11 0.00 -1.80 0.40 0.37 0.00 0.00 175.52 174.60 2crw h ILE 19 N 0.00 0.85 0.00 3.11 5.03 -1.45 -3.34 117.51 121.70 2crw h ILE 19 Ca 0.11 -2.44 -0.09 0.00 -0.12 0.00 0.00 64.86 62.32 2crw h ILE 19 Cb 0.48 2.68 -0.01 0.00 -3.03 0.00 0.00 36.82 36.93 2crw h ILE 19 CO -0.00 0.86 -0.43 -0.26 -0.68 0.00 0.00 178.15 177.63 2crw h PHE 20 N 0.05 0.00 -0.87 1.37 0.04 -1.21 -3.06 116.94 113.26 2crw h PHE 20 Ca -0.37 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.38 2crw h PHE 20 Cb 2.04 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 40.15 2crw h PHE 20 CO 0.10 0.43 0.45 1.57 -0.60 0.00 0.00 178.31 180.26 2crw h LYS 21 N 0.00 1.23 -0.16 1.51 2.10 0.02 0.57 116.57 121.83 2crw h LYS 21 Ca -0.00 -0.16 -0.11 0.00 -2.00 0.00 0.00 60.65 58.37 2crw h LYS 21 Cb 0.91 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 32.00 2crw h LYS 21 CO 0.06 0.92 -0.39 -0.09 -2.00 0.00 0.00 179.45 177.95 2crw h ARG 22 N 1.22 0.35 0.00 0.07 2.43 -1.66 -2.85 114.38 113.95 2crw h ARG 22 Ca 0.30 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2crw h ARG 22 Cb 0.07 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2crw h ARG 22 CO -0.04 0.69 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.99 2crw h LEU 23 N 0.30 0.00 -0.91 3.80 4.07 -1.40 -3.37 115.31 117.80 2crw h LEU 23 Ca 0.03 0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.16 2crw h LEU 23 Cb 0.82 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 42.40 2crw h LEU 23 CO 0.07 0.34 -0.27 0.54 -1.08 0.00 0.00 178.44 178.03 2crw n ARG 24 N -3.73 -0.13 -0.36 1.13 1.74 0.19 0.37 116.66 115.87 2crw n ARG 24 Ca -0.01 1.41 0.06 0.00 -0.77 0.00 0.00 57.85 58.54 2crw n ARG 24 Cb 0.03 -2.10 0.13 0.00 -1.02 0.00 0.00 32.46 29.50 2crw n ARG 24 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2crw n SER 25 N -5.43 -0.37 -4.67 0.55 3.41 -1.07 -3.73 113.62 102.30 2crw n SER 25 Ca 0.13 1.71 -0.46 0.00 -0.26 0.00 0.00 58.87 59.99 2crw n SER 25 Cb 0.42 -0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 2crw n SER 25 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2crw n VAL 26 N -5.61 0.10 0.86 -3.33 0.31 0.16 -4.84 118.33 105.98 2crw n VAL 26 Ca 0.16 -0.02 0.08 0.00 -0.01 0.00 0.00 64.34 64.54 2crw n VAL 26 Cb 0.49 -1.52 0.43 0.00 -0.91 0.00 0.00 33.84 32.33 2crw n VAL 26 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2crw n PRO 27 N 3.25 0.38 -0.00 5.55 -0.04 -1.26 -1.90 135.00 140.98 2crw n PRO 27 Ca 0.16 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.76 2crw n PRO 27 Cb 0.29 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.11 0.00 -0.04 0.52 -2.24 -1.26 -4.45 114.28 105.70 2crw n THR 28 Ca 0.10 -0.16 -0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2crw n THR 28 Cb 0.08 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.52 1.85 -0.03 3.42 3.02 -0.80 -4.38 115.26 116.82 2crw n ASN 29 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2crw n ASN 29 Cb 0.29 1.20 0.00 0.00 -0.61 0.00 0.00 39.78 40.66 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 -2.24 0.91 -3.81 3.52 2.85 -0.80 -4.63 118.16 113.97 2crw n LYS 30 Ca -0.12 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 56.91 2crw n LYS 30 Cb 0.65 -1.03 -0.17 0.00 -0.65 0.00 0.00 35.03 33.83 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 -1.94 0.41 -0.67 0.58 -7.23 -1.26 -1.06 120.40 109.23 2crw s VAL 31 Ca 0.00 0.09 -0.33 0.00 -1.81 0.00 0.00 61.98 59.93 2crw s VAL 31 Cb 0.00 -0.55 -0.18 0.00 0.56 0.00 0.00 36.38 36.21 2crw s VAL 31 CO 0.00 0.26 2.14 0.00 -0.31 0.00 0.00 175.10 177.19 2crw h PHE 33 N 9.28 0.00 0.00 0.00 3.04 -1.71 1.14 116.94 128.69 2crw h PHE 33 Ca -0.06 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.89 2crw h PHE 33 Cb 1.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 2crw h PHE 33 CO 0.91 0.00 0.00 -3.47 -2.02 0.00 0.00 178.31 173.73 2crw n ASP 34 N -3.09 0.00 -0.11 0.41 -0.08 -1.26 -4.70 116.55 107.71 2crw n ASP 34 Ca 0.07 0.57 -0.23 0.00 -1.51 0.00 0.00 54.79 53.69 2crw n ASP 34 Cb 0.86 -0.42 -0.12 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 1.73 1.01 3.65 0.00 0.00 0.39 -4.94 105.19 107.03 2crw n GLY 36 Ca -0.44 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.10 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 0.69 -1.77 4.61 0.00 -1.26 -4.04 120.51 118.74 2crw n ALA 37 Ca 0.00 0.45 -0.37 0.00 0.00 0.00 0.00 53.44 53.52 2crw n ALA 37 Cb 0.00 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.14 2crw n ALA 37 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2crw s LYS 38 N 1.16 3.79 -1.14 0.00 1.02 -1.26 -0.46 119.74 122.86 2crw s LYS 38 Ca 0.82 1.68 -0.00 0.00 0.02 0.00 0.00 55.97 58.49 2crw s LYS 38 Cb -0.76 -2.37 -0.00 0.00 -0.52 0.00 0.00 37.83 34.18 2crw s LYS 38 CO 0.42 -0.50 0.95 0.09 -0.92 0.00 0.00 175.35 175.39 2crw n ASN 39 N -0.52 -2.21 -4.58 2.83 3.02 -0.22 -4.85 115.26 108.72 2crw n ASN 39 Ca 0.07 -0.59 -0.28 0.00 -0.03 0.00 0.00 54.58 53.75 2crw n ASN 39 Cb 0.49 -4.91 -0.06 0.00 -0.61 0.00 0.00 39.78 34.69 2crw n ASN 39 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2crw s PRO 40 N -5.26 2.49 0.03 3.52 0.04 -1.24 -4.83 135.00 129.75 2crw s PRO 40 Ca 0.02 -1.14 -0.06 0.00 0.04 0.00 0.00 61.00 59.85 2crw s PRO 40 Cb -0.00 -5.24 -0.02 0.00 0.04 0.00 0.00 34.50 29.28 2crw s PRO 40 CO 0.70 -3.98 1.11 0.66 0.04 0.00 0.00 177.00 175.53 2crw h SER 41 N 9.77 -0.41 -2.24 6.66 4.64 -1.89 -3.38 113.55 126.69 2crw h SER 41 Ca 0.21 0.06 -0.61 0.00 -0.47 0.00 0.00 61.79 60.98 2crw h SER 41 Cb 0.94 0.17 0.13 0.00 -0.31 0.00 0.00 62.40 63.34 2crw h SER 41 CO 1.22 -0.06 -0.25 0.79 -0.87 0.00 0.00 176.83 177.66 2crw n TRP 42 N -3.36 0.05 -3.74 4.77 7.02 -1.14 -4.36 117.44 116.68 2crw n TRP 42 Ca -0.00 0.67 -0.12 0.00 -1.02 0.00 0.00 57.50 57.03 2crw n TRP 42 Cb 0.06 -2.07 -0.12 0.00 -2.42 0.00 0.00 31.31 26.76 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 -1.29 -0.66 -0.37 6.99 0.00 -1.06 -1.08 121.76 124.29 2crw s ALA 43 Ca 0.62 0.97 -0.16 0.00 0.00 0.00 0.00 51.96 53.39 2crw s ALA 43 Cb -0.67 -0.60 -0.00 0.00 0.00 0.00 0.00 23.12 21.86 2crw s ALA 43 CO 0.58 -0.18 0.42 0.45 0.00 0.00 0.00 175.76 177.03 2crw s SER 44 N 0.85 6.21 0.07 0.00 0.15 0.14 -1.85 113.70 119.28 2crw s SER 44 Ca -0.06 -0.31 -0.18 0.00 0.70 0.00 0.00 55.95 56.10 2crw s SER 44 Cb -0.07 -2.22 -0.11 0.00 -1.71 0.00 0.00 66.02 61.91 2crw s SER 44 CO -0.06 -0.44 1.39 0.40 1.20 0.00 0.00 173.24 175.73 2crw h ILE 45 N 5.61 1.32 -0.74 6.45 2.04 -1.67 0.44 117.51 130.96 2crw h ILE 45 Ca -0.28 -1.36 0.17 0.00 1.00 0.00 0.00 64.86 64.39 2crw h ILE 45 Cb 1.13 1.72 -0.12 0.00 -0.74 0.00 0.00 36.82 38.81 2crw h ILE 45 CO 0.74 0.42 0.10 0.74 0.00 0.00 0.00 178.15 180.15 2crw h THR 46 N 0.20 0.43 -0.56 -0.27 2.02 -1.93 0.11 112.91 112.91 2crw h THR 46 Ca 0.04 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2crw h THR 46 Cb 0.75 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2crw h THR 46 CO 0.05 0.03 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 2crw n TYR 47 N -5.25 0.84 -4.44 3.16 4.02 -1.21 -4.40 117.16 109.88 2crw n TYR 47 Ca 0.14 -0.52 -0.38 0.00 -0.01 0.00 0.00 57.90 57.13 2crw n TYR 47 Cb 0.48 -0.05 -0.09 0.00 -0.02 0.00 0.00 39.34 39.66 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 1.09 -0.27 3.51 2.72 0.00 0.13 -4.50 105.19 107.87 2crw n GLY 48 Ca 0.20 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.76 1.50 0.01 1.61 -7.23 0.05 -0.44 120.40 112.14 2crw s VAL 49 Ca 0.46 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 2crw s VAL 49 Cb -0.27 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 33.76 2crw s VAL 49 CO 1.02 -0.00 0.02 -0.36 -0.31 0.00 0.00 175.10 175.47 2crw s PHE 50 N -3.08 3.11 0.15 2.82 0.08 -1.26 0.26 117.98 120.07 2crw s PHE 50 Ca 0.36 0.09 -0.04 0.00 0.12 0.00 0.00 56.93 57.46 2crw s PHE 50 Cb 0.09 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.85 2crw s PHE 50 CO 0.16 0.48 0.14 -0.51 -0.10 0.00 0.00 175.22 175.40 2crw s LEU 51 N -1.74 1.45 0.06 -0.37 1.43 -0.24 -2.05 118.68 117.22 2crw s LEU 51 Ca 0.22 -1.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 2crw s LEU 51 Cb -0.12 0.60 -0.04 0.00 0.03 0.00 0.00 46.19 46.67 2crw s LEU 51 CO 0.13 -0.80 0.04 0.00 0.23 0.00 0.00 176.35 175.95 2crw n ILE 53 N 0.71 -0.11 0.00 0.00 0.13 -1.26 -0.22 119.36 118.61 2crw n ILE 53 Ca -0.11 1.18 0.00 0.00 -1.10 0.00 0.00 62.75 62.72 2crw n ILE 53 Cb 0.52 -1.94 0.00 0.00 -0.84 0.00 0.00 39.64 37.38 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 -3.79 0.00 0.15 9.51 2.03 -1.26 -3.50 116.55 119.68 2crw n ASP 54 Ca 0.30 0.66 -0.14 0.00 0.52 0.00 0.00 54.79 56.13 2crw n ASP 54 Cb 1.23 -0.39 -0.06 0.00 -0.72 0.00 0.00 41.12 41.17 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 0.17 -0.05 0.00 3.41 0.69 0.17 113.62 112.59 2crw n SER 56 Ca -0.08 0.95 -0.08 0.00 -0.26 0.00 0.00 58.87 59.40 2crw n SER 56 Cb 0.33 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.15 0.14 5.00 0.00 -1.40 -1.73 103.07 105.24 2crw h GLY 57 Ca 0.55 0.07 0.17 0.00 0.00 0.00 0.00 47.33 48.12 2crw h GLY 57 CO -0.37 -0.08 0.47 1.76 0.00 0.00 0.00 176.54 178.31 2crw h SER 58 N -0.00 0.55 -0.27 0.19 0.02 0.15 -0.77 113.55 113.43 2crw h SER 58 Ca 0.10 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2crw h SER 58 Cb 0.16 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2crw h SER 58 CO -0.23 0.20 0.07 0.45 -1.14 0.00 0.00 176.83 176.19 2crw h HIS 59 N 0.62 0.44 -0.78 3.45 3.86 -1.38 -2.54 115.15 118.82 2crw h HIS 59 Ca 0.50 -0.05 0.12 0.00 -1.16 0.00 0.00 60.37 59.78 2crw h HIS 59 Cb 0.76 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 29.05 2crw h HIS 59 CO -0.08 0.49 0.51 0.00 0.86 0.00 0.00 177.93 179.72 2crw h ARG 60 N 0.26 0.59 0.24 2.45 3.08 -0.32 -2.41 114.38 118.28 2crw h ARG 60 Ca 0.08 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2crw h ARG 60 Cb 0.27 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2crw h ARG 60 CO -0.00 0.39 -0.12 1.03 -1.07 0.00 0.00 179.97 180.20 2crw h SER 61 N 0.61 -0.28 -1.00 7.04 0.87 -1.04 -3.22 113.55 116.53 2crw h SER 61 Ca 0.37 -0.22 0.18 0.00 -1.23 0.00 0.00 61.79 60.90 2crw h SER 61 Cb 0.61 0.07 -0.18 0.00 -0.44 0.00 0.00 62.40 62.46 2crw h SER 61 CO -0.14 0.09 -0.30 -0.07 -0.53 0.00 0.00 176.83 175.88 2crw h LEU 62 N -0.68 -1.13 0.00 2.23 3.38 -1.02 -3.45 115.31 114.63 2crw h LEU 62 Ca -0.03 0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2crw h LEU 62 Cb 0.48 0.67 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2crw h LEU 62 CO 0.05 -0.31 0.00 0.61 0.09 0.00 0.00 178.44 178.88 2crw n GLY 63 N -1.57 3.84 0.65 0.83 0.00 -1.15 -4.80 105.19 103.00 2crw n GLY 63 Ca 0.14 -0.56 0.48 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.08 1.61 0.24 -1.26 0.19 118.33 119.03 2crw n VAL 64 Ca 0.00 1.37 -0.13 0.00 -2.04 0.00 0.00 64.34 63.55 2crw n VAL 64 Cb 0.00 -2.30 -0.05 0.00 -1.47 0.00 0.00 33.84 30.02 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 0.56 -0.30 6.34 -0.00 -1.95 -2.87 115.15 116.92 2crw h HIS 65 Ca 0.84 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.37 61.00 2crw h HIS 65 Cb 3.46 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 30.74 2crw h HIS 65 CO 0.00 0.78 -0.05 1.25 -0.00 0.00 0.00 177.93 179.91 2crw h LEU 66 N 0.17 0.57 -6.18 6.12 5.85 0.18 -3.43 115.31 118.58 2crw h LEU 66 Ca 0.04 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 2crw h LEU 66 Cb 0.65 -0.15 -0.25 0.00 0.37 0.00 0.00 40.66 41.28 2crw h LEU 66 CO 0.04 0.79 -0.36 -0.44 -0.34 0.00 0.00 178.44 178.13 2crw s SER 67 N -6.14 -0.73 -0.04 1.25 0.01 -0.76 -4.90 113.70 102.39 2crw s SER 67 Ca -0.13 0.60 -0.28 0.00 1.31 0.00 0.00 55.95 57.45 2crw s SER 67 Cb 0.08 1.74 -0.03 0.00 0.21 0.00 0.00 66.02 68.03 2crw s SER 67 CO 0.78 -0.28 0.90 0.12 0.41 0.00 0.00 173.24 175.17 2crw s PHE 68 N 2.73 3.61 -0.09 2.43 2.19 -1.09 -4.33 117.98 123.44 2crw s PHE 68 Ca 0.17 1.55 -0.01 0.00 0.33 0.00 0.00 56.93 58.98 2crw s PHE 68 Cb -0.15 -3.04 -0.03 0.00 -1.31 0.00 0.00 43.02 38.49 2crw s PHE 68 CO -0.19 -0.02 -0.03 0.42 1.83 0.00 0.00 175.22 177.23 2crw s ILE 69 N 1.12 3.99 -0.00 3.12 -1.09 -1.26 -2.02 121.20 125.06 2crw s ILE 69 Ca 0.47 -0.36 -0.06 0.00 -2.23 0.00 0.00 60.65 58.47 2crw s ILE 69 Cb -0.20 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 38.01 2crw s ILE 69 CO 0.24 0.59 0.13 -0.13 -1.23 0.00 0.00 174.94 174.53 2crw s ARG 70 N -0.66 0.43 -0.11 2.79 1.81 -0.77 -5.00 118.95 117.43 2crw s ARG 70 Ca 0.10 -0.33 -0.15 0.00 -1.72 0.00 0.00 55.73 53.63 2crw s ARG 70 Cb -0.12 0.18 -0.05 0.00 -0.45 0.00 0.00 34.95 34.51 2crw s ARG 70 CO 0.02 -0.10 0.37 -1.54 -0.68 0.00 0.00 175.30 173.37 2crw s SER 71 N -1.18 6.58 -0.05 0.23 1.04 -1.26 -2.57 113.70 116.50 2crw s SER 71 Ca -0.13 0.69 -0.23 0.00 0.48 0.00 0.00 55.95 56.76 2crw s SER 71 Cb -0.07 -2.22 -0.26 0.00 0.10 0.00 0.00 66.02 63.57 2crw s SER 71 CO 0.01 0.13 0.97 0.71 0.98 0.00 0.00 173.24 176.03 2crw h THR 72 N 4.48 1.55 0.00 2.02 1.35 -1.76 -3.13 112.91 117.42 2crw h THR 72 Ca -0.44 -2.20 0.00 0.00 -0.55 0.00 0.00 66.41 63.22 2crw h THR 72 Cb 1.18 2.95 0.00 0.00 -1.73 0.00 0.00 68.15 70.55 2crw h THR 72 CO 0.72 0.61 0.00 -0.62 -0.25 0.00 0.00 175.52 175.98 2crw n GLU 73 N -4.36 0.00 -0.11 4.72 -0.58 -1.26 -4.43 120.64 114.63 2crw n GLU 73 Ca -0.11 0.31 -0.05 0.00 -0.42 0.00 0.00 57.16 56.89 2crw n GLU 73 Cb 0.62 -0.89 -0.04 0.00 -0.57 0.00 0.00 31.44 30.56 2crw n GLU 73 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2crw h LEU 74 N 0.00 -0.76 -9.69 -4.62 3.38 -2.01 -3.39 115.31 98.23 2crw h LEU 74 Ca 0.00 0.11 -0.50 0.00 0.09 0.00 0.00 57.88 57.58 2crw h LEU 74 Cb 0.00 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2crw h LEU 74 CO 0.00 -0.12 0.38 -0.62 0.09 0.00 0.00 178.44 178.18 2crw s ASP 75 N -3.77 7.52 0.00 -0.43 2.15 -1.18 -4.92 116.67 116.03 2crw s ASP 75 Ca -0.05 1.95 0.00 0.00 0.43 0.00 0.00 52.55 54.89 2crw s ASP 75 Cb 0.04 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 2crw s ASP 75 CO 0.23 0.01 0.05 -1.54 -0.17 0.00 0.00 175.17 173.75 2crw n SER 76 N 1.96 0.10 -2.37 -0.34 3.41 -1.26 -4.26 113.62 110.86 2crw n SER 76 Ca -0.00 -0.41 -0.22 0.00 -0.26 0.00 0.00 58.87 57.98 2crw n SER 76 Cb 0.47 0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 64.78 2crw n SER 76 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2crw n ASN 77 N -0.45 6.13 -3.40 4.04 4.13 -1.26 -4.42 115.26 120.04 2crw n ASN 77 Ca 0.00 -2.94 -0.23 0.00 1.68 0.00 0.00 54.58 53.09 2crw n ASN 77 Cb 0.02 -1.31 0.18 0.00 -1.54 0.00 0.00 39.78 37.13 2crw n ASN 77 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 2crw n TRP 78 N 1.53 -3.82 -4.78 3.10 7.02 -1.26 -5.06 117.44 114.16 2crw n TRP 78 Ca 0.48 -0.84 -0.28 0.00 -1.02 0.00 0.00 57.50 55.84 2crw n TRP 78 Cb 0.66 -0.86 -0.17 0.00 -2.42 0.00 0.00 31.31 28.52 2crw n TRP 78 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2crw s SER 79 N -4.24 2.38 0.26 -0.99 0.01 -1.26 -4.45 113.70 105.41 2crw s SER 79 Ca 0.57 -0.42 -0.08 0.00 1.31 0.00 0.00 55.95 57.33 2crw s SER 79 Cb -0.04 -1.09 0.42 0.00 0.21 0.00 0.00 66.02 65.53 2crw s SER 79 CO 0.42 0.07 1.49 0.79 0.41 0.00 0.00 173.24 176.43 2crw n TRP 80 N 3.79 0.32 -0.27 2.43 7.02 -1.26 0.19 117.44 129.66 2crw n TRP 80 Ca -0.21 1.17 0.05 0.00 -1.02 0.00 0.00 57.50 57.49 2crw n TRP 80 Cb 0.52 -1.04 0.27 0.00 -2.42 0.00 0.00 31.31 28.65 2crw n TRP 80 CO 0.00 0.00 0.00 0.35 -2.02 0.00 0.00 177.69 176.02 2crw h PHE 81 N 0.00 0.96 0.00 -5.99 3.57 -1.95 -0.36 116.94 113.17 2crw h PHE 81 Ca 0.45 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.88 2crw h PHE 81 Cb 0.69 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2crw h PHE 81 CO -0.74 0.50 -0.46 1.96 -2.23 0.00 0.00 178.31 177.34 2crw h GLN 82 N 0.94 0.00 0.15 1.11 4.20 0.16 -2.85 115.11 118.83 2crw h GLN 82 Ca 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.07 2crw h GLN 82 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2crw h GLN 82 CO -0.14 0.46 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.34 2crw h LEU 83 N 0.00 -0.17 -1.28 1.46 -0.00 0.98 -3.11 115.31 113.19 2crw h LEU 83 Ca -0.00 -0.25 -0.04 0.00 -0.00 0.00 0.00 57.88 57.58 2crw h LEU 83 Cb 1.05 0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.74 2crw h LEU 83 CO 0.06 0.17 0.08 0.03 -0.00 0.00 0.00 178.44 178.79 2crw h ARG 84 N -0.54 0.58 -0.98 1.13 2.47 -1.48 -2.30 114.38 113.26 2crw h ARG 84 Ca -0.02 -0.10 0.28 0.00 -1.26 0.00 0.00 59.98 58.88 2crw h ARG 84 Cb 0.42 -0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 28.59 2crw h ARG 84 CO 0.03 0.54 0.69 0.00 0.56 0.00 0.00 179.97 181.79 2crw h MET 86 N 0.06 0.31 0.67 0.00 2.86 -1.45 -3.05 114.93 114.34 2crw h MET 86 Ca 0.47 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 2crw h MET 86 Cb 1.78 0.06 0.01 0.00 0.06 0.00 0.00 31.60 33.51 2crw h MET 86 CO -0.04 0.93 -0.32 1.96 1.06 0.00 0.00 176.91 180.50 2crw h GLN 87 N -0.21 -0.87 0.00 1.72 4.20 -0.96 -2.66 115.11 116.33 2crw h GLN 87 Ca -0.03 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2crw h GLN 87 Cb 1.01 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.99 2crw h GLN 87 CO 0.07 -0.58 0.48 -0.39 -0.67 0.00 0.00 178.83 177.74 2crw h VAL 88 N -1.11 0.00 0.00 -0.54 -1.51 -1.15 -3.37 116.25 108.57 2crw h VAL 88 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 2crw h VAL 88 Cb 0.69 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 2crw h VAL 88 CO 0.15 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.10 2crw n GLY 89 N -1.29 0.69 0.00 5.19 0.00 -1.03 -4.97 105.19 103.78 2crw n GLY 89 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 5.00 2.96 0.38 -0.02 0.00 0.42 -4.52 105.19 109.40 2crw n GLY 90 Ca 0.00 -1.96 -0.17 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.78 -0.25 1.61 4.21 -1.79 -3.21 115.58 115.38 2crw h ASN 91 Ca 0.00 -0.01 0.05 0.00 1.21 0.00 0.00 56.30 57.55 2crw h ASN 91 Cb 0.00 0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 37.36 2crw h ASN 91 CO 0.00 -0.46 -0.03 0.00 -1.29 0.00 0.00 177.43 175.65 2crw h ALA 92 N -0.86 0.19 -0.71 -0.83 0.00 -1.91 -2.17 119.26 112.96 2crw h ALA 92 Ca -0.09 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.01 2crw h ALA 92 Cb 0.73 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.56 2crw h ALA 92 CO 0.15 -0.45 -0.27 0.43 0.00 0.00 0.00 179.25 179.12 2crw n SER 93 N -5.19 -0.45 -0.04 0.00 7.64 -1.21 0.42 113.62 114.80 2crw n SER 93 Ca -0.01 1.24 -0.14 0.00 1.01 0.00 0.00 58.87 60.97 2crw n SER 93 Cb 0.14 -0.29 -0.09 0.00 -1.01 0.00 0.00 64.21 62.96 2crw n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2crw h ALA 94 N 1.02 0.12 -0.79 -0.43 0.00 -1.50 -2.07 119.26 115.62 2crw h ALA 94 Ca 0.26 -0.35 0.33 0.00 0.00 0.00 0.00 54.91 55.15 2crw h ALA 94 Cb 0.43 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.06 2crw h ALA 94 CO -0.71 0.02 0.43 0.45 0.00 0.00 0.00 179.25 179.44 2crw n SER 95 N -4.60 0.27 -0.08 0.00 2.88 0.17 -1.04 113.62 111.21 2crw n SER 95 Ca -0.08 1.29 -0.08 0.00 -1.33 0.00 0.00 58.87 58.67 2crw n SER 95 Cb 0.38 -0.63 -0.04 0.00 -0.75 0.00 0.00 64.21 63.17 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 -4.75 1.83 -0.28 -3.46 7.64 -0.85 -4.14 113.62 109.60 2crw n SER 96 Ca 0.30 0.58 -0.01 0.00 1.01 0.00 0.00 58.87 60.74 2crw n SER 96 Cb 1.01 -0.88 0.02 0.00 -1.01 0.00 0.00 64.21 63.35 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 -4.57 -0.01 -0.09 1.43 -0.00 -0.41 0.85 117.46 114.66 2crw n PHE 97 Ca -0.13 0.88 -0.08 0.00 -0.00 0.00 0.00 57.45 58.12 2crw n PHE 97 Cb 0.37 -0.75 -0.01 0.00 -0.00 0.00 0.00 39.48 39.09 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 -0.82 0.46 -5.13 -1.00 -1.30 -2.53 116.94 106.63 2crw h PHE 98 Ca 0.23 0.05 -0.02 0.00 2.81 0.00 0.00 57.97 61.04 2crw h PHE 98 Cb 0.41 0.41 0.00 0.00 3.61 0.00 0.00 35.95 40.39 2crw h PHE 98 CO -0.63 -0.37 -0.22 1.25 -1.61 0.00 0.00 178.31 176.73 2crw h HIS 99 N -0.26 -0.57 -0.67 -0.55 2.76 0.29 -2.56 115.15 113.60 2crw h HIS 99 Ca 0.16 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.50 2crw h HIS 99 Cb 0.52 0.19 -0.12 0.00 1.55 0.00 0.00 27.41 29.54 2crw h HIS 99 CO -0.49 -0.30 -0.01 1.04 -1.30 0.00 0.00 177.93 176.87 2crw n GLN 100 N -5.31 -0.05 0.16 5.26 1.13 0.72 -0.48 117.38 118.81 2crw n GLN 100 Ca -0.11 1.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.88 2crw n GLN 100 Cb 0.29 -1.58 -0.03 0.00 0.11 0.00 0.00 30.24 29.02 2crw n GLN 100 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2crw h HIS 101 N 0.00 -0.42 0.00 1.08 2.76 -1.34 -3.49 115.15 113.74 2crw h HIS 101 Ca 0.39 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 2crw h HIS 101 Cb 0.79 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.89 2crw h HIS 101 CO -0.36 -0.26 0.00 0.41 -1.30 0.00 0.00 177.93 176.42 2crw n GLY 102 N 0.35 -0.01 2.70 5.26 0.00 0.37 -5.12 105.19 108.74 2crw n GLY 102 Ca -0.06 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 2.89 6.50 -4.78 0.00 3.41 -1.26 -4.57 113.62 115.81 2crw n SER 104 Ca 0.17 -3.14 -0.37 0.00 -0.26 0.00 0.00 58.87 55.27 2crw n SER 104 Cb 0.38 -1.13 -0.07 0.00 -0.26 0.00 0.00 64.21 63.13 2crw n SER 104 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2crw s THR 105 N -2.31 5.29 -0.19 6.66 2.01 -1.26 -5.00 115.64 120.84 2crw s THR 105 Ca 0.44 0.52 -0.17 0.00 0.31 0.00 0.00 61.69 62.80 2crw s THR 105 Cb 0.31 -3.59 -0.20 0.00 0.01 0.00 0.00 72.50 69.02 2crw s THR 105 CO -0.09 0.48 0.20 0.59 -0.69 0.00 0.00 174.62 175.10 2crw n ASN 106 N 2.89 1.94 -3.20 3.53 4.13 -1.26 -4.52 115.26 118.77 2crw n ASN 106 Ca -0.14 0.35 -0.39 0.00 1.68 0.00 0.00 54.58 56.07 2crw n ASN 106 Cb 0.53 -0.92 -0.04 0.00 -1.54 0.00 0.00 39.78 37.80 2crw n ASN 106 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2crw n ASP 107 N -4.14 -0.34 0.06 6.41 8.00 -1.26 -4.61 116.55 120.67 2crw n ASP 107 Ca -0.34 0.82 -0.15 0.00 0.71 0.00 0.00 54.79 55.83 2crw n ASP 107 Cb 0.80 -0.67 -0.07 0.00 -0.02 0.00 0.00 41.12 41.17 2crw n ASP 107 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2crw h THR 108 N 1.61 1.37 0.00 -3.53 2.02 -1.97 0.66 112.91 113.07 2crw h THR 108 Ca -0.30 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.46 2crw h THR 108 Cb 1.03 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 2crw h THR 108 CO 0.44 0.73 0.00 -3.20 0.37 0.00 0.00 175.52 173.86 2crw n ASN 109 N -3.77 0.00 0.01 4.18 5.15 -1.26 -3.20 115.26 116.37 2crw n ASN 109 Ca -0.08 0.18 -0.03 0.00 -0.60 0.00 0.00 54.58 54.06 2crw n ASN 109 Cb 0.86 -0.39 -0.01 0.00 -0.53 0.00 0.00 39.78 39.71 2crw n ASN 109 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2crw n ALA 110 N -1.39 2.40 -0.35 5.20 0.00 -1.17 -4.03 120.51 121.17 2crw n ALA 110 Ca 0.10 -0.24 0.25 0.00 0.00 0.00 0.00 53.44 53.56 2crw n ALA 110 Cb 0.26 0.19 0.50 0.00 0.00 0.00 0.00 19.45 20.40 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 -0.28 0.30 0.00 0.00 3.64 0.18 0.71 116.57 121.11 2crw h LYS 111 Ca -0.01 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.15 2crw h LYS 111 Cb 0.31 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2crw h LYS 111 CO -0.00 0.20 -1.18 1.88 -2.27 0.00 0.00 179.45 178.07 2crw h TYR 112 N 0.31 0.00 -0.18 1.91 0.05 -1.70 -3.28 116.97 114.08 2crw h TYR 112 Ca 0.73 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.49 2crw h TYR 112 Cb 1.77 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.50 2crw h TYR 112 CO -0.01 0.86 0.02 0.09 -1.05 0.00 0.00 178.16 178.08 2crw n ASN 113 N -3.18 2.47 -4.99 3.88 3.02 0.24 -4.48 115.26 112.21 2crw n ASN 113 Ca -0.06 -2.29 -0.19 0.00 -0.03 0.00 0.00 54.58 52.01 2crw n ASN 113 Cb 0.93 -0.56 0.02 0.00 -0.61 0.00 0.00 39.78 39.56 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 -0.16 5.32 0.02 6.41 1.04 -0.48 -4.95 113.70 120.90 2crw s SER 114 Ca 0.16 -0.67 -0.22 0.00 0.48 0.00 0.00 55.95 55.70 2crw s SER 114 Cb 0.12 -0.25 -0.16 0.00 0.10 0.00 0.00 66.02 65.83 2crw s SER 114 CO 0.04 -0.97 1.31 -0.09 0.98 0.00 0.00 173.24 174.52 2crw h ARG 115 N 0.54 0.27 -0.78 4.02 9.65 -1.89 -2.96 114.38 123.22 2crw h ARG 115 Ca -0.36 -0.14 0.15 0.00 -1.10 0.00 0.00 59.98 58.52 2crw h ARG 115 Cb 1.28 0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 29.77 2crw h ARG 115 CO 0.46 0.69 0.33 0.00 2.80 0.00 0.00 179.97 184.25 2crw h ALA 116 N 0.57 1.13 0.14 2.80 0.00 -1.93 -1.51 119.26 120.47 2crw h ALA 116 Ca 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2crw h ALA 116 Cb 0.64 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2crw h ALA 116 CO 0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 179.25 179.00 2crw h ALA 117 N 1.57 -0.19 0.21 0.00 0.00 -1.76 -2.99 119.26 116.10 2crw h ALA 117 Ca 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2crw h ALA 117 Cb 0.68 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2crw h ALA 117 CO -0.41 -0.59 -0.39 1.96 0.00 0.00 0.00 179.25 179.82 2crw h GLN 118 N -0.22 -0.62 -0.87 0.00 4.20 -1.16 -1.92 115.11 114.52 2crw h GLN 118 Ca -0.02 0.04 0.29 0.00 0.06 0.00 0.00 58.65 59.03 2crw h GLN 118 Cb 0.17 0.14 -0.16 0.00 0.30 0.00 0.00 27.48 27.93 2crw h GLN 118 CO 0.03 -0.41 0.21 1.28 -0.67 0.00 0.00 178.83 179.27 2crw n LEU 119 N -4.71 0.07 0.42 1.46 4.77 -0.65 0.06 117.00 118.42 2crw n LEU 119 Ca -0.07 1.47 -0.19 0.00 -0.03 0.00 0.00 56.01 57.18 2crw n LEU 119 Cb 0.32 -0.61 -0.09 0.00 -2.33 0.00 0.00 43.42 40.71 2crw n LEU 119 CO 0.15 -1.56 0.58 0.22 -1.33 0.00 0.00 177.39 175.45 2crw h TYR 120 N 0.00 -1.15 -0.41 -1.77 5.03 -1.20 -2.00 116.97 115.46 2crw h TYR 120 Ca 0.62 -0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.95 2crw h TYR 120 Cb 1.46 0.40 -0.05 0.00 1.55 0.00 0.00 36.73 40.09 2crw h TYR 120 CO -0.26 -0.67 -0.28 0.00 -1.32 0.00 0.00 178.16 175.63 2crw h ARG 121 N -1.12 -0.04 -0.61 1.82 3.08 -0.04 0.29 114.38 117.77 2crw h ARG 121 Ca -0.10 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.07 2crw h ARG 121 Cb 0.89 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.83 2crw h ARG 121 CO 0.13 -0.03 -0.21 0.93 -1.07 0.00 0.00 179.97 179.72 2crw h GLU 122 N -0.04 -0.06 -0.59 0.04 5.08 -1.49 -0.42 114.58 117.10 2crw h GLU 122 Ca 0.07 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.55 2crw h GLU 122 Cb 0.21 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.36 2crw h GLU 122 CO -0.41 -0.04 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.15 2crw h LYS 123 N -0.06 -0.04 -1.00 2.33 3.64 -0.22 0.18 116.57 121.40 2crw h LYS 123 Ca 0.28 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.87 2crw h LYS 123 Cb 0.49 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.22 2crw h LYS 123 CO -0.65 -0.03 0.61 0.82 -2.27 0.00 0.00 179.45 177.93 2crw h ILE 124 N -0.04 0.65 0.12 2.00 1.08 0.39 -0.83 117.51 120.87 2crw h ILE 124 Ca 0.28 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 2crw h ILE 124 Cb 0.47 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 2crw h ILE 124 CO -0.62 0.12 -0.11 0.50 -0.69 0.00 0.00 178.15 177.35 2crw h LYS 125 N 0.67 -0.24 0.02 2.37 3.64 -0.40 0.29 116.57 122.92 2crw h LYS 125 Ca 0.59 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 60.00 2crw h LYS 125 Cb 1.05 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2crw h LYS 125 CO -0.39 -0.16 -0.09 0.77 -2.27 0.00 0.00 179.45 177.32 2crw h SER 126 N -0.24 -0.25 0.64 4.20 0.02 -0.92 -2.70 113.55 114.29 2crw h SER 126 Ca 0.00 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2crw h SER 126 Cb 0.23 0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.88 2crw h SER 126 CO -0.02 -0.13 -0.31 -0.07 -1.14 0.00 0.00 176.83 175.16 2crw h LEU 127 N -0.16 -0.73 -0.84 5.07 3.38 -1.16 -2.77 115.31 118.10 2crw h LEU 127 Ca 0.03 0.03 0.33 0.00 0.09 0.00 0.00 57.88 58.35 2crw h LEU 127 Cb 0.20 0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.01 2crw h LEU 127 CO -0.08 -0.52 0.48 0.00 0.09 0.00 0.00 178.44 178.42 2crw n ALA 128 N -2.43 0.86 -0.14 1.53 0.00 0.10 0.23 120.51 120.66 2crw n ALA 128 Ca -0.11 0.75 -0.08 0.00 0.00 0.00 0.00 53.44 53.99 2crw n ALA 128 Cb 0.34 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2crw n ALA 128 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2crw h SER 129 N 0.00 0.54 -0.95 0.00 0.02 -1.19 0.86 113.55 112.83 2crw h SER 129 Ca 0.65 -0.11 0.20 0.00 -0.84 0.00 0.00 61.79 61.70 2crw h SER 129 Cb 1.84 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 64.16 2crw h SER 129 CO -0.52 0.49 0.61 0.06 -1.14 0.00 0.00 176.83 176.33 2crw h GLN 130 N 0.55 0.50 0.07 3.45 -0.00 0.30 0.41 115.11 120.39 2crw h GLN 130 Ca 0.15 -0.03 -0.29 0.00 -0.00 0.00 0.00 58.65 58.48 2crw h GLN 130 Cb 0.08 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.48 27.43 2crw h GLN 130 CO -0.02 0.33 -1.48 0.00 -0.00 0.00 0.00 178.83 177.66 2crw h ALA 131 N 1.62 0.39 0.13 0.06 0.00 -1.32 -3.33 119.26 116.81 2crw h ALA 131 Ca 0.51 -1.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 2crw h ALA 131 Cb 1.12 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2crw h ALA 131 CO -0.24 1.25 -0.06 1.15 0.00 0.00 0.00 179.25 181.35 2crw h THR 132 N 0.04 0.00 -1.47 0.00 2.02 1.00 -3.21 112.91 111.29 2crw h THR 132 Ca -0.21 -0.17 0.43 0.00 0.77 0.00 0.00 66.41 67.22 2crw h THR 132 Cb 1.97 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 68.32 2crw h THR 132 CO 0.14 0.00 1.30 -1.14 0.37 0.00 0.00 175.52 176.19 2crw n ARG 133 N -2.95 0.01 -0.96 6.66 0.63 0.13 -4.58 116.66 115.59 2crw n ARG 133 Ca -0.02 1.03 -0.34 0.00 -0.92 0.00 0.00 57.85 57.60 2crw n ARG 133 Cb 0.07 -2.48 0.03 0.00 0.45 0.00 0.00 32.46 30.54 2crw n ARG 133 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2crw n LYS 134 N -3.53 0.00 -0.91 -0.14 3.00 -1.21 -4.21 118.16 111.15 2crw n LYS 134 Ca 0.33 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.39 2crw n LYS 134 Cb 1.74 -0.93 -0.09 0.00 0.00 0.00 0.00 35.03 35.75 2crw n LYS 134 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2crw n HIS 135 N -2.23 0.34 0.00 5.64 8.25 -1.26 -4.53 115.22 121.42 2crw n HIS 135 Ca -0.01 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 2crw n HIS 135 Cb 0.51 -1.44 0.00 0.00 1.12 0.00 0.00 29.99 30.18 2crw n HIS 135 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2crw n GLY 136 N 3.95 0.61 0.14 -1.41 0.00 -1.26 -2.77 105.19 104.46 2crw n GLY 136 Ca 0.40 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 1.44 0.00 2.61 1.35 -1.88 -3.46 112.91 112.98 2crw h THR 137 Ca 0.00 -2.19 -0.50 0.00 -0.55 0.00 0.00 66.41 63.18 2crw h THR 137 Cb 0.00 2.16 -0.03 0.00 -1.73 0.00 0.00 68.15 68.55 2crw h THR 137 CO 0.00 0.63 0.89 0.47 -0.25 0.00 0.00 175.52 177.26 2crw n ASP 138 N -3.79 0.48 -4.32 5.36 9.92 -1.11 -4.56 116.55 118.52 2crw n ASP 138 Ca -0.02 0.43 -0.56 0.00 -0.53 0.00 0.00 54.79 54.11 2crw n ASP 138 Cb 0.65 -0.59 -0.11 0.00 -0.64 0.00 0.00 41.12 40.43 2crw n ASP 138 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2crw n LEU 139 N 5.06 1.10 -0.32 0.64 7.99 -1.26 -4.69 117.00 125.52 2crw n LEU 139 Ca 0.37 0.56 0.27 0.00 -0.01 0.00 0.00 56.01 57.19 2crw n LEU 139 Cb -0.02 -1.01 0.45 0.00 -0.11 0.00 0.00 43.42 42.74 2crw n LEU 139 CO 0.58 -0.77 0.82 -2.67 -1.51 0.00 0.00 177.39 173.84 2crw n TRP 140 N 8.46 0.48 -3.80 -1.77 2.14 -1.26 -4.00 117.44 117.67 2crw n TRP 140 Ca 0.52 0.48 -0.37 0.00 2.07 0.00 0.00 57.50 60.20 2crw n TRP 140 Cb 0.04 -0.88 -0.06 0.00 -0.81 0.00 0.00 31.31 29.60 2crw n TRP 140 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 2crw s LEU 141 N -8.07 4.38 -0.22 5.67 2.34 -1.26 -5.08 118.68 116.43 2crw s LEU 141 Ca -0.05 0.51 -0.33 0.00 0.06 0.00 0.00 54.13 54.32 2crw s LEU 141 Cb 0.21 -2.15 0.16 0.00 -0.56 0.00 0.00 46.19 43.85 2crw s LEU 141 CO 0.55 0.36 1.24 -0.62 -1.06 0.00 0.00 176.35 176.82 2crw s ASP 142 N -0.83 -0.13 0.26 1.48 -1.08 -1.26 -5.14 116.67 109.96 2crw s ASP 142 Ca 0.15 0.07 0.12 0.00 -0.52 0.00 0.00 52.55 52.37 2crw s ASP 142 Cb -0.13 0.12 -0.05 0.00 -1.46 0.00 0.00 42.92 41.41 2crw s ASP 142 CO 0.05 -0.17 -0.19 -0.55 0.52 0.00 0.00 175.17 174.83 2crw s SER 143 N -1.64 3.66 0.06 -0.34 0.15 -1.26 -5.08 113.70 109.25 2crw s SER 143 Ca 0.08 -0.95 -0.00 0.00 0.70 0.00 0.00 55.95 55.77 2crw s SER 143 Cb -0.01 -0.35 -0.00 0.00 -1.71 0.00 0.00 66.02 63.95 2crw s SER 143 CO -0.05 0.06 -0.01 -1.20 1.20 0.00 0.00 173.24 173.24 2crw n SER 144 N -0.43 0.71 0.00 5.45 7.64 -1.26 -5.14 113.62 120.58 2crw n SER 144 Ca -0.07 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2crw n SER 144 Cb 0.59 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2crw n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crw n GLY 145 N 3.43 -1.63 3.60 0.23 0.00 -1.26 -4.76 105.19 104.79 2crw n GLY 145 Ca -0.00 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 3.36 -1.04 1.61 0.04 -1.26 -4.94 135.00 132.77 2crw s PRO 146 Ca 0.00 1.27 -0.17 0.00 0.04 0.00 0.00 61.00 62.14 2crw s PRO 146 Cb 0.00 -4.17 0.14 0.00 0.04 0.00 0.00 34.50 30.51 2crw s PRO 146 CO 0.00 -1.83 1.28 -1.54 0.04 0.00 0.00 177.00 174.95 2crw s SER 147 N 5.66 6.77 0.29 6.66 1.04 -1.26 -4.87 113.70 127.98 2crw s SER 147 Ca 0.75 -2.33 -0.03 0.00 0.48 0.00 0.00 55.95 54.82 2crw s SER 147 Cb -0.20 -2.42 0.61 0.00 0.10 0.00 0.00 66.02 64.11 2crw s SER 147 CO 0.33 -1.00 1.58 0.77 0.98 0.00 0.00 173.24 175.90 2crw h SER 148 N 8.31 -0.59 0.00 7.02 4.64 -1.99 -3.56 113.55 127.38 2crw h SER 148 Ca 0.22 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2crw h SER 148 Cb 0.97 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 2crw h SER 148 CO 1.19 -0.32 0.00 0.61 -0.87 0.00 0.00 176.83 177.44