#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crw h SER 2 N 0.00 -1.21 -3.48 1.61 0.02 -2.14 -3.40 113.55 104.95 2crw h SER 2 Ca 0.00 0.11 -0.53 0.00 -0.84 0.00 0.00 61.79 60.53 2crw h SER 2 Cb 0.00 0.42 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2crw h SER 2 CO 0.00 -0.51 0.35 -0.55 -1.14 0.00 0.00 176.83 174.99 2crw s SER 3 N -4.08 7.41 0.00 3.07 0.15 -1.26 -5.05 113.70 113.94 2crw s SER 3 Ca -0.14 1.70 0.00 0.00 0.70 0.00 0.00 55.95 58.21 2crw s SER 3 Cb 0.04 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2crw s SER 3 CO 0.49 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.37 2crw n GLY 4 N 2.62 0.78 3.94 9.45 0.00 -1.26 -5.06 105.19 115.65 2crw n GLY 4 Ca 0.04 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 2crw n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crw s SER 5 N -1.03 6.35 -0.17 1.61 0.15 -1.26 -5.10 113.70 114.25 2crw s SER 5 Ca 0.00 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2crw s SER 5 Cb 0.00 -1.94 0.04 0.00 -1.71 0.00 0.00 66.02 62.41 2crw s SER 5 CO 0.00 0.04 -0.09 -0.55 1.20 0.00 0.00 173.24 173.84 2crw s SER 6 N -3.14 2.93 -1.00 5.45 0.15 -1.26 -4.85 113.70 111.98 2crw s SER 6 Ca 0.35 -0.67 -0.10 0.00 0.70 0.00 0.00 55.95 56.24 2crw s SER 6 Cb -0.11 -1.07 -0.03 0.00 -1.71 0.00 0.00 66.02 63.10 2crw s SER 6 CO 0.29 -0.14 0.81 0.61 1.20 0.00 0.00 173.24 176.01 2crw n GLY 7 N 4.79 -1.13 0.33 9.45 0.00 -1.26 -4.83 105.19 112.54 2crw n GLY 7 Ca -0.14 0.52 0.13 0.00 0.00 0.00 0.00 46.02 46.53 2crw n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2crw n MET 8 N -3.23 -0.08 0.00 1.61 0.00 -1.26 -4.86 117.12 109.30 2crw n MET 8 Ca -0.08 1.41 0.00 0.00 -0.00 0.00 0.00 57.70 59.03 2crw n MET 8 Cb 0.59 -2.23 0.00 0.00 0.00 0.00 0.00 33.22 31.58 2crw n MET 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2crw n GLY 9 N -1.48 -0.34 3.36 -5.12 0.00 -1.26 -4.74 105.19 95.60 2crw n GLY 9 Ca 0.21 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.00 2.87 0.55 1.61 1.47 -1.26 -4.97 116.67 112.94 2crw s ASP 10 Ca 0.00 -0.88 -0.19 0.00 1.18 0.00 0.00 52.55 52.66 2crw s ASP 10 Cb 0.00 -0.18 -0.05 0.00 -0.34 0.00 0.00 42.92 42.34 2crw s ASP 10 CO 0.00 -0.01 1.13 -2.16 0.68 0.00 0.00 175.17 174.81 2crw s PRO 11 N -2.86 3.30 0.34 2.11 0.04 -1.26 -5.06 135.00 131.62 2crw s PRO 11 Ca 0.18 1.59 0.07 0.00 0.04 0.00 0.00 61.00 62.88 2crw s PRO 11 Cb -0.06 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 2crw s PRO 11 CO 0.08 -0.89 0.44 -1.12 0.04 0.00 0.00 177.00 175.55 2crw s SER 12 N -1.85 5.80 0.18 6.66 0.01 -1.26 -4.78 113.70 118.46 2crw s SER 12 Ca 0.72 -0.27 -0.26 0.00 1.31 0.00 0.00 55.95 57.45 2crw s SER 12 Cb -0.24 -1.13 0.03 0.00 0.21 0.00 0.00 66.02 64.90 2crw s SER 12 CO 0.28 -0.44 1.52 1.17 0.41 0.00 0.00 173.24 176.18 2crw n LYS 13 N -1.60 -0.37 -0.15 12.44 3.00 -1.26 -0.51 118.16 129.72 2crw n LYS 13 Ca 0.00 1.50 -0.09 0.00 -0.00 0.00 0.00 58.31 59.72 2crw n LYS 13 Cb 0.59 -2.21 -0.04 0.00 0.00 0.00 0.00 35.03 33.37 2crw n LYS 13 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2crw h GLN 14 N 0.00 -0.27 -0.37 1.64 4.20 -1.97 0.25 115.11 118.58 2crw h GLN 14 Ca 0.22 0.02 0.06 0.00 0.06 0.00 0.00 58.65 59.01 2crw h GLN 14 Cb 0.47 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 2crw h GLN 14 CO -0.94 -0.18 0.05 -0.44 -0.67 0.00 0.00 178.83 176.64 2crw h ASP 15 N -0.29 -0.04 -0.45 1.46 3.32 -1.23 -2.21 116.42 116.98 2crw h ASP 15 Ca 0.16 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.33 2crw h ASP 15 Cb 0.57 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.18 2crw h ASP 15 CO -0.60 0.01 0.19 0.40 -1.72 0.00 0.00 179.24 177.52 2crw h ILE 16 N 0.16 0.90 -0.97 0.35 2.04 0.60 -1.41 117.51 119.18 2crw h ILE 16 Ca 0.18 -0.13 0.23 0.00 1.00 0.00 0.00 64.86 66.14 2crw h ILE 16 Cb 0.22 0.49 -0.08 0.00 -0.74 0.00 0.00 36.82 36.71 2crw h ILE 16 CO -0.26 0.07 0.64 -0.07 0.00 0.00 0.00 178.15 178.53 2crw h LEU 17 N 0.39 0.42 0.15 1.44 3.38 0.05 -2.66 115.31 118.48 2crw h LEU 17 Ca 0.21 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2crw h LEU 17 Cb 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2crw h LEU 17 CO -0.18 0.13 -0.07 0.74 0.09 0.00 0.00 178.44 179.15 2crw h THR 18 N 0.40 0.00 -1.42 0.22 2.02 -1.00 0.26 112.91 113.38 2crw h THR 18 Ca 0.53 -0.02 0.45 0.00 0.77 0.00 0.00 66.41 68.13 2crw h THR 18 Cb 1.33 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.65 2crw h THR 18 CO -0.23 0.00 0.98 -0.38 0.37 0.00 0.00 175.52 176.26 2crw n ILE 19 N -2.60 -0.11 -0.07 3.11 -0.00 -1.02 0.48 119.36 119.14 2crw n ILE 19 Ca -0.03 1.40 -0.11 0.00 -0.00 0.00 0.00 62.75 64.02 2crw n ILE 19 Cb 0.08 -2.31 -0.08 0.00 -0.00 0.00 0.00 39.64 37.32 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 0.00 -0.75 1.39 0.04 -1.31 -3.30 116.94 113.01 2crw h PHE 20 Ca 0.77 0.00 0.22 0.00 2.80 0.00 0.00 57.97 61.76 2crw h PHE 20 Cb 2.80 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 40.92 2crw h PHE 20 CO -0.00 0.75 0.93 1.57 -0.60 0.00 0.00 178.31 180.96 2crw h LYS 21 N -1.00 0.00 0.06 1.51 2.10 0.36 0.94 116.57 120.53 2crw h LYS 21 Ca -0.06 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.40 2crw h LYS 21 Cb 0.76 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.11 2crw h LYS 21 CO -0.04 0.00 -0.77 -0.09 -2.00 0.00 0.00 179.45 176.55 2crw h ARG 22 N 0.00 0.42 0.00 0.07 9.65 -1.42 -3.09 114.38 120.02 2crw h ARG 22 Ca 0.36 -0.53 -0.02 0.00 -1.10 0.00 0.00 59.98 58.68 2crw h ARG 22 Cb 2.22 0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 30.97 2crw h ARG 22 CO -0.00 1.19 -0.17 -0.07 2.80 0.00 0.00 179.97 183.72 2crw h LEU 23 N -0.10 0.00 -0.74 3.80 3.38 0.53 -3.37 115.31 118.81 2crw h LEU 23 Ca -0.11 -0.57 0.15 0.00 0.09 0.00 0.00 57.88 57.44 2crw h LEU 23 Cb 1.51 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.12 2crw h LEU 23 CO 0.15 0.88 -0.17 0.03 0.09 0.00 0.00 178.44 179.42 2crw h ARG 24 N -1.00 0.01 -0.83 1.13 3.08 -0.24 -0.36 114.38 116.16 2crw h ARG 24 Ca -0.04 -0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.17 2crw h ARG 24 Cb 0.68 -0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.58 2crw h ARG 24 CO -0.02 0.01 -0.24 0.45 -1.07 0.00 0.00 179.97 179.09 2crw n SER 25 N -5.48 -0.36 -4.63 7.04 2.88 -1.17 -3.35 113.62 108.56 2crw n SER 25 Ca 0.10 1.44 -0.48 0.00 -1.33 0.00 0.00 58.87 58.60 2crw n SER 25 Cb 0.39 -0.41 -0.04 0.00 -0.75 0.00 0.00 64.21 63.40 2crw n SER 25 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2crw n VAL 26 N -5.32 0.50 0.98 2.46 0.31 -0.15 -4.81 118.33 112.30 2crw n VAL 26 Ca 0.12 -0.13 0.02 0.00 -0.01 0.00 0.00 64.34 64.34 2crw n VAL 26 Cb 0.39 -1.16 0.11 0.00 -0.91 0.00 0.00 33.84 32.27 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 2.37 0.49 -0.00 5.55 -0.04 -1.26 -1.84 135.00 140.27 2crw n PRO 27 Ca 0.15 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.64 2crw n PRO 27 Cb 0.26 -1.12 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.62 0.00 -0.01 0.52 -2.24 -1.26 -4.61 114.28 106.06 2crw n THR 28 Ca 0.03 -0.29 0.06 0.00 -2.27 0.00 0.00 64.05 61.58 2crw n THR 28 Cb 0.01 0.78 -0.11 0.00 -2.10 0.00 0.00 70.33 68.91 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 -1.32 1.70 -0.24 3.42 3.02 -0.77 -4.36 115.26 116.70 2crw n ASN 29 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 2crw n ASN 29 Cb 0.10 1.60 0.03 0.00 -0.61 0.00 0.00 39.78 40.90 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 -2.04 1.20 -3.79 3.52 2.85 -0.92 -4.66 118.16 114.33 2crw n LYS 30 Ca -0.04 -0.25 -0.25 0.00 -1.05 0.00 0.00 58.31 56.72 2crw n LYS 30 Cb 0.42 -1.18 -0.17 0.00 -0.65 0.00 0.00 35.03 33.45 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 -1.73 0.55 -0.70 0.58 -7.23 -1.26 -0.71 120.40 109.91 2crw s VAL 31 Ca 0.05 -0.16 -0.20 0.00 -1.81 0.00 0.00 61.98 59.86 2crw s VAL 31 Cb 0.03 -0.78 -0.16 0.00 0.56 0.00 0.00 36.38 36.02 2crw s VAL 31 CO 0.03 0.15 1.85 0.00 -0.31 0.00 0.00 175.10 176.81 2crw n PHE 33 N 6.99 0.00 0.00 0.00 -0.00 -0.82 0.18 117.46 123.81 2crw n PHE 33 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.91 2crw n PHE 33 Cb 0.03 -0.39 0.00 0.00 -0.00 0.00 0.00 39.48 39.12 2crw n PHE 33 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 2crw n ASP 34 N -3.61 0.00 -0.11 -2.13 -0.08 -1.26 -4.65 116.55 104.70 2crw n ASP 34 Ca 0.35 0.70 -0.23 0.00 -1.51 0.00 0.00 54.79 54.09 2crw n ASP 34 Cb 1.81 -0.43 -0.11 0.00 2.34 0.00 0.00 41.12 44.72 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 1.76 0.69 3.66 0.00 0.00 0.48 -4.93 105.19 106.85 2crw n GLY 36 Ca -0.46 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.37 -1.77 4.61 0.00 -1.26 -3.84 120.51 117.88 2crw n ALA 37 Ca 0.00 0.44 -0.38 0.00 0.00 0.00 0.00 53.44 53.50 2crw n ALA 37 Cb 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.25 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 2.21 3.95 -1.04 0.00 1.02 -1.26 -0.27 119.74 124.36 2crw s LYS 38 Ca 0.91 1.84 -0.01 0.00 0.02 0.00 0.00 55.97 58.73 2crw s LYS 38 Cb -0.98 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 2crw s LYS 38 CO 0.56 -0.41 0.87 0.09 -0.92 0.00 0.00 175.35 175.54 2crw n ASN 39 N -0.11 -2.52 -4.58 2.83 4.13 0.11 -4.87 115.26 110.26 2crw n ASN 39 Ca 0.05 -0.52 -0.28 0.00 1.68 0.00 0.00 54.58 55.51 2crw n ASN 39 Cb 0.47 -4.42 -0.06 0.00 -1.54 0.00 0.00 39.78 34.22 2crw n ASN 39 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2crw s PRO 40 N -5.28 2.47 0.09 3.52 0.04 -1.23 -4.83 135.00 129.78 2crw s PRO 40 Ca 0.07 -1.17 -0.19 0.00 0.04 0.00 0.00 61.00 59.75 2crw s PRO 40 Cb -0.03 -5.24 -0.05 0.00 0.04 0.00 0.00 34.50 29.22 2crw s PRO 40 CO 0.62 -4.02 1.32 0.77 0.04 0.00 0.00 177.00 175.74 2crw h SER 41 N 9.73 -1.25 -2.12 6.66 0.02 -1.90 -3.38 113.55 121.31 2crw h SER 41 Ca 0.22 0.19 -0.62 0.00 -0.84 0.00 0.00 61.79 60.73 2crw h SER 41 Cb 0.94 0.55 0.10 0.00 0.14 0.00 0.00 62.40 64.13 2crw h SER 41 CO 1.22 -0.16 0.04 0.79 -1.14 0.00 0.00 176.83 177.58 2crw n TRP 42 N -4.33 0.97 -3.72 3.45 7.02 -1.19 -3.33 117.44 116.31 2crw n TRP 42 Ca 0.00 0.75 -0.16 0.00 -1.02 0.00 0.00 57.50 57.07 2crw n TRP 42 Cb 0.17 -2.20 -0.16 0.00 -2.42 0.00 0.00 31.31 26.69 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 -0.89 -0.00 -0.42 6.99 0.00 -0.78 -1.32 121.76 125.33 2crw s ALA 43 Ca 0.62 0.41 -0.20 0.00 0.00 0.00 0.00 51.96 52.80 2crw s ALA 43 Cb -0.77 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 21.89 2crw s ALA 43 CO 0.58 -0.28 0.57 0.45 0.00 0.00 0.00 175.76 177.08 2crw s SER 44 N 1.56 6.29 0.19 0.00 0.15 -0.40 -1.60 113.70 119.89 2crw s SER 44 Ca -0.04 -0.37 -0.09 0.00 0.70 0.00 0.00 55.95 56.16 2crw s SER 44 Cb -0.12 -2.29 0.10 0.00 -1.71 0.00 0.00 66.02 62.00 2crw s SER 44 CO -0.04 -0.68 1.69 0.40 1.20 0.00 0.00 173.24 175.80 2crw h ILE 45 N 5.80 1.26 -0.36 6.45 2.04 -1.75 0.38 117.51 131.33 2crw h ILE 45 Ca -0.26 -1.05 0.05 0.00 1.00 0.00 0.00 64.86 64.60 2crw h ILE 45 Cb 1.10 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.73 2crw h ILE 45 CO 0.85 0.39 -0.54 0.74 0.00 0.00 0.00 178.15 179.59 2crw h THR 46 N 1.05 0.00 -0.49 -0.27 2.02 -1.92 0.02 112.91 113.31 2crw h THR 46 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.39 2crw h THR 46 Cb 0.45 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2crw h THR 46 CO 0.01 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.68 2crw n TYR 47 N -5.31 1.39 -3.88 3.16 4.02 -1.21 -4.43 117.16 110.90 2crw n TYR 47 Ca -0.04 -0.52 -0.26 0.00 -0.01 0.00 0.00 57.90 57.08 2crw n TYR 47 Cb 0.34 -0.31 -0.07 0.00 -0.02 0.00 0.00 39.34 39.28 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 0.75 -0.14 3.57 2.72 0.00 0.02 -4.51 105.19 107.60 2crw n GLY 48 Ca 0.21 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.78 0.70 0.09 1.61 -7.23 -0.58 -0.53 120.40 110.69 2crw s VAL 49 Ca 0.14 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.36 2crw s VAL 49 Cb -0.08 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2crw s VAL 49 CO 0.77 0.00 -0.03 -0.36 -0.31 0.00 0.00 175.10 175.18 2crw s PHE 50 N -3.13 2.93 0.26 2.82 0.08 -1.26 -1.27 117.98 118.41 2crw s PHE 50 Ca 0.19 -0.06 -0.05 0.00 0.12 0.00 0.00 56.93 57.13 2crw s PHE 50 Cb 0.02 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 40.94 2crw s PHE 50 CO 0.12 0.47 0.36 -0.51 -0.10 0.00 0.00 175.22 175.56 2crw s LEU 51 N -2.29 0.85 0.12 -0.37 1.43 -0.43 -1.95 118.68 116.04 2crw s LEU 51 Ca 0.25 -1.27 0.10 0.00 -1.03 0.00 0.00 54.13 52.17 2crw s LEU 51 Cb -0.12 1.19 -0.04 0.00 0.03 0.00 0.00 46.19 47.26 2crw s LEU 51 CO 0.17 -1.09 -0.22 0.00 0.23 0.00 0.00 176.35 175.44 2crw n ILE 53 N 0.82 -0.28 0.00 0.00 0.13 -1.26 0.34 119.36 119.12 2crw n ILE 53 Ca -0.16 1.37 0.00 0.00 -1.10 0.00 0.00 62.75 62.85 2crw n ILE 53 Cb 0.53 -2.23 0.00 0.00 -0.84 0.00 0.00 39.64 37.10 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 -4.51 0.00 0.21 9.51 2.03 -1.26 -3.15 116.55 119.38 2crw n ASP 54 Ca 0.26 0.81 -0.15 0.00 0.52 0.00 0.00 54.79 56.22 2crw n ASP 54 Cb 0.88 -0.41 -0.07 0.00 -0.72 0.00 0.00 41.12 40.80 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 -5.45 0.04 -0.12 0.00 3.41 0.15 0.21 113.62 111.87 2crw n SER 56 Ca -0.09 0.93 -0.05 0.00 -0.26 0.00 0.00 58.87 59.40 2crw n SER 56 Cb 0.36 -0.39 0.03 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.39 -0.19 5.00 0.00 -1.39 -1.56 103.07 105.32 2crw h GLY 57 Ca 0.39 0.05 0.21 0.00 0.00 0.00 0.00 47.33 47.98 2crw h GLY 57 CO -0.48 -0.10 0.36 1.76 0.00 0.00 0.00 176.54 178.08 2crw h SER 58 N 0.10 0.28 -0.28 0.19 0.02 0.24 0.45 113.55 114.54 2crw h SER 58 Ca 0.19 0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 61.25 2crw h SER 58 Cb 0.28 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2crw h SER 58 CO -0.33 -0.01 -0.02 0.45 -1.14 0.00 0.00 176.83 175.78 2crw h HIS 59 N 0.38 0.57 -0.75 3.45 3.86 -1.31 -3.06 115.15 118.30 2crw h HIS 59 Ca 0.54 -0.11 0.15 0.00 -1.16 0.00 0.00 60.37 59.80 2crw h HIS 59 Cb 1.01 -0.15 -0.10 0.00 1.06 0.00 0.00 27.41 29.23 2crw h HIS 59 CO -0.16 0.68 0.24 0.00 0.86 0.00 0.00 177.93 179.55 2crw h ARG 60 N 0.30 0.34 -0.38 2.45 3.08 -0.23 -0.73 114.38 119.19 2crw h ARG 60 Ca 0.08 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.14 2crw h ARG 60 Cb 0.47 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 2crw h ARG 60 CO 0.02 0.22 0.17 1.03 -1.07 0.00 0.00 179.97 180.34 2crw h SER 61 N 0.35 0.22 -0.76 7.04 0.87 -1.29 -2.47 113.55 117.51 2crw h SER 61 Ca 0.42 0.03 0.17 0.00 -1.23 0.00 0.00 61.79 61.18 2crw h SER 61 Cb 0.69 -0.01 -0.13 0.00 -0.44 0.00 0.00 62.40 62.51 2crw h SER 61 CO -0.46 0.17 -0.01 -0.07 -0.53 0.00 0.00 176.83 175.92 2crw h LEU 62 N 0.35 -0.39 0.00 2.23 3.38 -1.07 -3.46 115.31 116.35 2crw h LEU 62 Ca 0.17 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2crw h LEU 62 Cb 0.11 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2crw h LEU 62 CO -0.14 -0.19 0.00 0.61 0.09 0.00 0.00 178.44 178.81 2crw n GLY 63 N -1.43 4.14 0.54 0.83 0.00 -0.93 -4.70 105.19 103.64 2crw n GLY 63 Ca 0.13 -0.89 0.32 0.00 0.00 0.00 0.00 46.02 45.59 2crw n GLY 63 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2crw h VAL 64 N 0.00 0.11 -0.00 1.61 -1.51 -1.76 1.28 116.25 115.99 2crw h VAL 64 Ca 0.00 0.00 -0.27 0.00 -1.23 0.00 0.00 66.70 65.20 2crw h VAL 64 Cb 0.00 0.17 0.02 0.00 -2.13 0.00 0.00 31.29 29.35 2crw h VAL 64 CO 0.00 0.00 -1.04 1.12 -1.23 0.00 0.00 177.57 176.42 2crw h HIS 65 N 0.00 1.03 -0.13 5.19 -0.00 -1.96 -3.04 115.15 116.25 2crw h HIS 65 Ca 0.53 -0.56 -0.17 0.00 -0.00 0.00 0.00 60.37 60.17 2crw h HIS 65 Cb 2.67 -0.12 0.01 0.00 -0.00 0.00 0.00 27.41 29.97 2crw h HIS 65 CO 0.00 1.40 -0.60 1.25 -0.00 0.00 0.00 177.93 179.98 2crw h LEU 66 N 0.39 0.75 -6.17 6.12 6.46 0.13 -3.44 115.31 119.56 2crw h LEU 66 Ca -0.13 -0.63 -0.04 0.00 -0.12 0.00 0.00 57.88 56.96 2crw h LEU 66 Cb 1.69 -0.22 -0.25 0.00 -0.73 0.00 0.00 40.66 41.15 2crw h LEU 66 CO 0.20 1.26 -0.40 -0.55 -0.62 0.00 0.00 178.44 178.33 2crw s SER 67 N -6.83 -0.71 -0.04 1.25 0.15 -0.17 -4.96 113.70 102.38 2crw s SER 67 Ca -0.12 0.27 -0.29 0.00 0.70 0.00 0.00 55.95 56.50 2crw s SER 67 Cb 0.07 1.67 -0.02 0.00 -1.71 0.00 0.00 66.02 66.02 2crw s SER 67 CO 0.86 -0.30 0.97 0.12 1.20 0.00 0.00 173.24 176.09 2crw s PHE 68 N 2.71 3.60 0.06 3.44 5.36 -1.15 -4.35 117.98 127.65 2crw s PHE 68 Ca 0.14 1.63 0.04 0.00 -0.96 0.00 0.00 56.93 57.77 2crw s PHE 68 Cb -0.13 -3.13 -0.04 0.00 -0.34 0.00 0.00 43.02 39.38 2crw s PHE 68 CO -0.23 -0.09 -0.00 0.42 -1.46 0.00 0.00 175.22 173.85 2crw s ILE 69 N 1.38 4.03 -0.25 3.12 -1.09 -1.26 -2.46 121.20 124.68 2crw s ILE 69 Ca 0.50 -0.85 -0.12 0.00 -2.23 0.00 0.00 60.65 57.95 2crw s ILE 69 Cb -0.20 -2.87 0.09 0.00 -1.58 0.00 0.00 42.46 37.90 2crw s ILE 69 CO 0.24 0.22 0.58 -0.13 -1.23 0.00 0.00 174.94 174.62 2crw s ARG 70 N -2.01 0.55 0.89 2.79 0.52 -0.63 -4.97 118.95 116.09 2crw s ARG 70 Ca 0.23 1.18 -0.11 0.00 -0.52 0.00 0.00 55.73 56.52 2crw s ARG 70 Cb -0.12 0.35 0.13 0.00 0.52 0.00 0.00 34.95 35.84 2crw s ARG 70 CO 0.15 -0.18 1.11 0.45 0.02 0.00 0.00 175.30 176.85 2crw s SER 71 N 2.11 3.30 -0.17 0.23 0.15 -1.26 -1.86 113.70 116.20 2crw s SER 71 Ca -0.07 1.89 0.09 0.00 0.70 0.00 0.00 55.95 58.56 2crw s SER 71 Cb -0.09 -2.46 -0.17 0.00 -1.71 0.00 0.00 66.02 61.60 2crw s SER 71 CO -0.17 -2.81 -0.03 0.35 1.20 0.00 0.00 173.24 171.78 2crw n THR 72 N -4.03 1.07 -0.04 6.45 -2.24 -1.21 -4.15 114.28 110.13 2crw n THR 72 Ca 0.09 -0.57 -0.01 0.00 -2.27 0.00 0.00 64.05 61.29 2crw n THR 72 Cb 0.53 -0.81 -0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 0.00 0.00 0.08 -0.78 5.08 -1.94 -3.43 114.58 113.59 2crw h GLU 73 Ca -0.42 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2crw h GLU 73 Cb 1.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.09 2crw h GLU 73 CO -0.01 0.00 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.89 2crw h LEU 74 N -0.75 -0.09 -9.21 1.33 3.38 -1.99 -3.42 115.31 104.55 2crw h LEU 74 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.36 2crw h LEU 74 Cb 0.13 0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.92 2crw h LEU 74 CO 0.00 -0.05 1.15 0.47 0.09 0.00 0.00 178.44 180.10 2crw n ASP 75 N -2.38 3.39 -1.73 -0.43 8.00 -1.26 -4.85 116.55 117.29 2crw n ASP 75 Ca -0.01 0.89 -0.03 0.00 0.71 0.00 0.00 54.79 56.35 2crw n ASP 75 Cb 0.04 -1.38 0.08 0.00 -0.02 0.00 0.00 41.12 39.84 2crw n ASP 75 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2crw n SER 76 N 7.16 2.22 -1.93 -2.24 7.64 -1.26 -4.43 113.62 120.78 2crw n SER 76 Ca 0.24 -2.88 -0.15 0.00 1.01 0.00 0.00 58.87 57.09 2crw n SER 76 Cb 0.30 -0.41 0.05 0.00 -1.01 0.00 0.00 64.21 63.14 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 3.82 -4.77 6.43 3.02 -1.26 -4.40 115.26 117.64 2crw n ASN 77 Ca 0.18 -3.44 -0.39 0.00 -0.03 0.00 0.00 54.58 50.90 2crw n ASN 77 Cb 0.91 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 39.65 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 -3.46 3.34 0.28 3.10 0.52 -1.26 -5.03 118.94 116.42 2crw s TRP 78 Ca 0.45 1.63 -0.13 0.00 0.02 0.00 0.00 56.10 58.07 2crw s TRP 78 Cb 0.39 -3.30 -0.08 0.00 -1.15 0.00 0.00 33.47 29.33 2crw s TRP 78 CO 0.00 -0.84 0.65 0.45 0.02 0.00 0.00 176.95 177.23 2crw s SER 79 N -1.09 6.71 0.38 2.95 0.15 -1.26 -4.45 113.70 117.09 2crw s SER 79 Ca 0.51 1.12 0.13 0.00 0.70 0.00 0.00 55.95 58.41 2crw s SER 79 Cb -0.30 -2.31 0.94 0.00 -1.71 0.00 0.00 66.02 62.65 2crw s SER 79 CO 0.38 -0.14 1.84 -0.50 1.20 0.00 0.00 173.24 176.02 2crw h TRP 80 N 2.43 0.73 -0.07 3.44 -0.00 -1.95 0.25 115.95 120.78 2crw h TRP 80 Ca -0.47 0.02 -0.06 0.00 -0.00 0.00 0.00 58.89 58.38 2crw h TRP 80 Cb 1.17 -0.22 0.00 0.00 -0.00 0.00 0.00 29.16 30.11 2crw h TRP 80 CO 0.62 0.20 -0.18 0.35 -0.00 0.00 0.00 178.44 179.42 2crw h PHE 81 N 0.56 0.31 -0.72 0.49 3.57 -1.93 -3.05 116.94 116.16 2crw h PHE 81 Ca 0.50 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 2crw h PHE 81 Cb 1.02 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 2crw h PHE 81 CO -0.00 0.80 0.39 1.96 -2.23 0.00 0.00 178.31 179.22 2crw h GLN 82 N -0.26 1.01 -0.02 1.11 4.20 -1.63 -2.60 115.11 116.92 2crw h GLN 82 Ca -0.00 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.62 2crw h GLN 82 Cb 0.80 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 28.33 2crw h GLN 82 CO 0.04 0.76 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.63 2crw h LEU 83 N 1.00 -0.78 -0.88 1.46 3.38 -0.60 -1.90 115.31 116.98 2crw h LEU 83 Ca 0.25 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.43 2crw h LEU 83 Cb 0.05 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 2crw h LEU 83 CO -0.04 -0.33 0.53 0.03 0.09 0.00 0.00 178.44 178.72 2crw h ARG 84 N -0.39 0.85 -1.49 1.13 2.47 -1.41 -0.73 114.38 114.82 2crw h ARG 84 Ca 0.07 -0.05 0.43 0.00 -1.26 0.00 0.00 59.98 59.17 2crw h ARG 84 Cb 0.49 -0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 28.55 2crw h ARG 84 CO -0.25 0.56 1.07 0.00 0.56 0.00 0.00 179.97 181.92 2crw h MET 86 N 0.00 0.55 0.17 0.00 2.86 -1.11 -3.08 114.93 114.32 2crw h MET 86 Ca 0.71 -0.60 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 2crw h MET 86 Cb 2.84 0.17 0.00 0.00 0.06 0.00 0.00 31.60 34.67 2crw h MET 86 CO -0.01 1.22 -0.08 1.96 1.06 0.00 0.00 176.91 181.06 2crw h GLN 87 N 0.31 -0.21 0.00 1.72 4.20 0.99 -3.11 115.11 119.00 2crw h GLN 87 Ca -0.11 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2crw h GLN 87 Cb 1.65 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.48 2crw h GLN 87 CO 0.19 0.20 0.11 1.33 -0.67 0.00 0.00 178.83 179.99 2crw n VAL 88 N -4.92 1.24 0.00 -0.54 0.24 0.12 -4.51 118.33 109.96 2crw n VAL 88 Ca -0.07 0.62 0.00 0.00 -2.04 0.00 0.00 64.34 62.85 2crw n VAL 88 Cb 0.26 -1.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.01 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 -1.35 1.72 0.00 7.63 0.00 -1.16 -4.96 105.19 107.07 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 3.16 0.00 -0.02 0.00 0.31 -4.79 105.19 108.85 2crw n GLY 90 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.13 2crw n GLY 90 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2crw n ASN 91 N 0.00 0.00 -0.32 1.61 4.13 -1.26 -3.48 115.26 115.94 2crw n ASN 91 Ca 0.00 0.73 0.04 0.00 1.68 0.00 0.00 54.58 57.04 2crw n ASN 91 Cb 0.00 -0.30 0.11 0.00 -1.54 0.00 0.00 39.78 38.05 2crw n ASN 91 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2crw n ALA 92 N -1.40 0.15 -0.28 5.41 0.00 -1.26 -0.08 120.51 123.05 2crw n ALA 92 Ca 0.00 0.95 0.02 0.00 0.00 0.00 0.00 53.44 54.40 2crw n ALA 92 Cb 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 19.45 18.97 2crw n ALA 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2crw n SER 93 N -5.41 -0.40 -0.03 0.00 7.64 -1.23 0.20 113.62 114.40 2crw n SER 93 Ca 0.13 1.32 -0.15 0.00 1.01 0.00 0.00 58.87 61.18 2crw n SER 93 Cb 0.42 -0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 63.18 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 1.26 0.09 -0.90 -0.43 0.00 -0.54 -1.31 119.26 117.42 2crw h ALA 94 Ca 0.31 -0.43 0.35 0.00 0.00 0.00 0.00 54.91 55.13 2crw h ALA 94 Cb 0.50 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.12 2crw h ALA 94 CO -0.77 0.11 0.37 0.45 0.00 0.00 0.00 179.25 179.41 2crw n SER 95 N -4.50 0.21 -0.11 0.00 2.88 0.13 -0.77 113.62 111.47 2crw n SER 95 Ca -0.09 1.51 -0.23 0.00 -1.33 0.00 0.00 58.87 58.74 2crw n SER 95 Cb 0.48 -0.69 -0.11 0.00 -0.75 0.00 0.00 64.21 63.13 2crw n SER 95 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2crw n SER 96 N -5.11 1.87 -0.35 -3.46 2.88 -0.65 -4.03 113.62 104.76 2crw n SER 96 Ca 0.31 0.41 0.05 0.00 -1.33 0.00 0.00 58.87 58.31 2crw n SER 96 Cb 1.05 -0.95 0.13 0.00 -0.75 0.00 0.00 64.21 63.68 2crw n SER 96 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2crw h PHE 97 N -0.99 -0.58 0.46 0.66 3.04 0.13 0.40 116.94 120.06 2crw h PHE 97 Ca -0.38 0.09 -0.01 0.00 3.98 0.00 0.00 57.97 61.65 2crw h PHE 97 Cb 1.34 0.41 -0.02 0.00 2.56 0.00 0.00 35.95 40.23 2crw h PHE 97 CO 0.08 -0.42 -0.47 0.74 -2.02 0.00 0.00 178.31 176.22 2crw h PHE 98 N -0.00 -1.29 0.59 0.41 0.04 -1.14 -2.24 116.94 113.30 2crw h PHE 98 Ca 0.46 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.22 2crw h PHE 98 Cb 0.70 0.50 -0.02 0.00 2.20 0.00 0.00 35.95 39.34 2crw h PHE 98 CO -0.77 -0.63 -0.50 1.25 -0.60 0.00 0.00 178.31 177.06 2crw h HIS 99 N -0.94 -1.36 -0.88 -0.55 2.76 -1.09 -1.70 115.15 111.39 2crw h HIS 99 Ca -0.05 0.00 0.28 0.00 -2.20 0.00 0.00 60.37 58.40 2crw h HIS 99 Cb 0.83 0.52 -0.16 0.00 1.55 0.00 0.00 27.41 30.14 2crw h HIS 99 CO -0.24 -0.69 0.17 1.04 -1.30 0.00 0.00 177.93 176.91 2crw n GLN 100 N -5.58 -0.06 0.21 5.26 6.02 0.12 -0.06 117.38 123.28 2crw n GLN 100 Ca -0.13 1.28 -0.13 0.00 -0.01 0.00 0.00 57.00 58.01 2crw n GLN 100 Cb 0.47 -2.11 -0.07 0.00 1.02 0.00 0.00 30.24 29.55 2crw n GLN 100 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2crw h HIS 101 N 0.00 -0.51 0.00 1.08 2.76 -0.90 -3.48 115.15 114.09 2crw h HIS 101 Ca 0.60 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.76 2crw h HIS 101 Cb 1.38 0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.51 2crw h HIS 101 CO -0.30 -0.19 0.00 0.41 -1.30 0.00 0.00 177.93 176.55 2crw n GLY 102 N -0.27 0.58 0.28 5.26 0.00 0.91 -5.08 105.19 106.88 2crw n GLY 102 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.09 -0.82 -4.39 0.00 2.88 -1.26 -4.89 113.62 101.05 2crw n SER 104 Ca -0.37 -1.26 -0.36 0.00 -1.33 0.00 0.00 58.87 55.55 2crw n SER 104 Cb 0.72 -1.62 -0.13 0.00 -0.75 0.00 0.00 64.21 62.44 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 -3.67 3.98 0.11 2.46 2.01 -1.26 -4.98 115.64 114.29 2crw s THR 105 Ca 0.53 -0.33 -0.05 0.00 0.31 0.00 0.00 61.69 62.15 2crw s THR 105 Cb -0.31 -2.87 -0.23 0.00 0.01 0.00 0.00 72.50 69.10 2crw s THR 105 CO 1.02 0.33 1.23 0.78 -0.69 0.00 0.00 174.62 177.29 2crw h ASN 106 N 8.20 0.52 -1.74 3.53 4.21 -1.99 -3.42 115.58 124.89 2crw h ASN 106 Ca -0.39 -0.47 -0.31 0.00 1.21 0.00 0.00 56.30 56.35 2crw h ASN 106 Cb 1.16 -0.16 0.17 0.00 -1.12 0.00 0.00 38.32 38.37 2crw h ASN 106 CO 0.59 1.30 -0.94 0.47 -1.29 0.00 0.00 177.43 177.55 2crw n ASP 107 N -3.67 -2.72 -0.03 5.81 9.92 -1.26 -4.90 116.55 119.70 2crw n ASP 107 Ca -0.08 -0.20 -0.05 0.00 -0.53 0.00 0.00 54.79 53.93 2crw n ASP 107 Cb 0.91 -0.73 -0.02 0.00 -0.64 0.00 0.00 41.12 40.64 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 -4.07 0.33 0.91 -3.53 -1.04 -1.26 -3.72 114.28 101.90 2crw n THR 108 Ca 0.02 -0.10 0.09 0.00 -2.04 0.00 0.00 64.05 62.02 2crw n THR 108 Cb 0.46 -1.21 0.47 0.00 -1.82 0.00 0.00 70.33 68.23 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 -3.02 0.00 0.01 8.00 2.85 -1.26 -2.58 115.26 119.26 2crw n ASN 109 Ca -0.11 -0.09 -0.01 0.00 -0.11 0.00 0.00 54.58 54.25 2crw n ASN 109 Cb 0.59 -0.23 -0.00 0.00 1.24 0.00 0.00 39.78 41.38 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 -1.23 2.90 -0.34 5.20 0.00 -1.26 -4.17 120.51 121.60 2crw n ALA 110 Ca 0.10 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2crw n ALA 110 Cb 0.13 0.39 0.30 0.00 0.00 0.00 0.00 19.45 20.27 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 -0.05 0.72 0.00 0.00 3.64 -1.65 0.53 116.57 119.75 2crw h LYS 111 Ca -0.02 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.13 2crw h LYS 111 Cb 0.68 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 2crw h LYS 111 CO -0.01 0.47 -1.04 1.88 -2.27 0.00 0.00 179.45 178.48 2crw h TYR 112 N 0.74 0.00 -0.22 1.91 0.05 -1.75 -3.26 116.97 114.44 2crw h TYR 112 Ca 0.55 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.32 2crw h TYR 112 Cb 0.84 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.57 2crw h TYR 112 CO -0.03 0.75 0.01 0.09 -1.05 0.00 0.00 178.16 177.94 2crw n ASN 113 N -3.16 2.76 -4.97 3.88 3.02 0.06 -4.49 115.26 112.36 2crw n ASN 113 Ca -0.04 -2.35 -0.19 0.00 -0.03 0.00 0.00 54.58 51.97 2crw n ASN 113 Cb 0.87 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 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 -0.26 5.39 0.05 6.41 1.04 -0.50 -4.94 113.70 120.90 2crw s SER 114 Ca 0.20 -0.58 -0.29 0.00 0.48 0.00 0.00 55.95 55.76 2crw s SER 114 Cb 0.15 -0.53 -0.17 0.00 0.10 0.00 0.00 66.02 65.57 2crw s SER 114 CO 0.06 -0.78 1.45 -0.09 0.98 0.00 0.00 173.24 174.85 2crw h ARG 115 N 0.73 -0.71 -0.87 4.02 9.65 -1.89 -2.74 114.38 122.56 2crw h ARG 115 Ca -0.40 0.05 0.20 0.00 -1.10 0.00 0.00 59.98 58.74 2crw h ARG 115 Cb 1.28 0.16 -0.16 0.00 -1.39 0.00 0.00 29.97 29.86 2crw h ARG 115 CO 0.49 -0.42 -0.06 0.00 2.80 0.00 0.00 179.97 182.78 2crw h ALA 116 N -0.50 0.84 -0.13 2.80 0.00 -1.93 0.20 119.26 120.53 2crw h ALA 116 Ca -0.08 0.31 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2crw h ALA 116 Cb 0.62 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2crw h ALA 116 CO 0.12 -0.46 -0.05 0.00 0.00 0.00 0.00 179.25 178.87 2crw h ALA 117 N 1.85 0.06 0.81 0.00 0.00 -1.74 -2.73 119.26 117.51 2crw h ALA 117 Ca 0.48 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.40 2crw h ALA 117 Cb 0.86 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2crw h ALA 117 CO -0.83 -0.50 -0.47 1.96 0.00 0.00 0.00 179.25 179.41 2crw h GLN 118 N -0.03 -1.14 -1.21 0.00 4.20 -0.40 -2.41 115.11 114.12 2crw h GLN 118 Ca 0.07 0.08 0.44 0.00 0.06 0.00 0.00 58.65 59.29 2crw h GLN 118 Cb 0.14 0.26 -0.14 0.00 0.30 0.00 0.00 27.48 28.03 2crw h GLN 118 CO -0.15 -0.76 0.75 1.28 -0.67 0.00 0.00 178.83 179.28 2crw n LEU 119 N -5.44 0.23 0.35 1.46 4.77 -0.11 -0.24 117.00 118.03 2crw n LEU 119 Ca -0.15 1.38 -0.14 0.00 -0.03 0.00 0.00 56.01 57.08 2crw n LEU 119 Cb 0.49 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 2crw n LEU 119 CO 0.34 -1.52 0.40 0.22 -1.33 0.00 0.00 177.39 175.50 2crw h TYR 120 N 0.00 -0.86 -0.56 -1.77 3.20 -1.12 -2.70 116.97 113.17 2crw h TYR 120 Ca 0.83 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.73 2crw h TYR 120 Cb 2.54 0.28 -0.07 0.00 1.54 0.00 0.00 36.73 41.03 2crw h TYR 120 CO -0.01 -0.53 -0.33 0.54 -1.64 0.00 0.00 178.16 176.19 2crw n ARG 121 N -5.14 -0.24 -0.23 1.82 1.74 0.66 -0.48 116.66 114.78 2crw n ARG 121 Ca -0.11 1.26 -0.02 0.00 -0.77 0.00 0.00 57.85 58.21 2crw n ARG 121 Cb 0.37 -1.86 0.05 0.00 -1.02 0.00 0.00 32.46 29.99 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 -0.07 -0.52 5.56 5.08 -1.58 0.45 114.58 123.50 2crw h GLU 122 Ca 0.09 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.56 2crw h GLU 122 Cb 0.23 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.40 2crw h GLU 122 CO -0.52 -0.05 -0.04 -0.22 -1.00 0.00 0.00 179.01 177.18 2crw h LYS 123 N -0.07 0.08 -0.74 2.33 3.64 -0.43 -0.74 116.57 120.64 2crw h LYS 123 Ca 0.30 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.81 2crw h LYS 123 Cb 0.54 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.24 2crw h LYS 123 CO -0.72 0.05 0.26 0.82 -2.27 0.00 0.00 179.45 177.59 2crw h ILE 124 N 0.08 0.62 -0.49 2.00 1.08 0.83 -0.61 117.51 121.02 2crw h ILE 124 Ca 0.26 -0.13 0.03 0.00 -0.39 0.00 0.00 64.86 64.63 2crw h ILE 124 Cb 0.40 0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 2crw h ILE 124 CO -0.46 0.07 0.27 0.50 -0.69 0.00 0.00 178.15 177.83 2crw h LYS 125 N 0.38 0.51 0.19 2.37 3.64 -0.71 -0.42 116.57 122.54 2crw h LYS 125 Ca 0.41 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 2crw h LYS 125 Cb 0.64 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2crw h LYS 125 CO -0.43 0.34 -0.12 0.77 -2.27 0.00 0.00 179.45 177.74 2crw h SER 126 N 0.53 -0.31 -0.61 4.20 0.02 -0.69 -2.62 113.55 114.07 2crw h SER 126 Ca 0.21 0.02 0.12 0.00 -0.84 0.00 0.00 61.79 61.29 2crw h SER 126 Cb 0.08 0.09 -0.12 0.00 0.14 0.00 0.00 62.40 62.59 2crw h SER 126 CO -0.13 -0.18 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.09 2crw h LEU 127 N -0.29 -0.78 -0.94 5.07 3.38 -1.36 0.10 115.31 120.48 2crw h LEU 127 Ca -0.03 0.20 0.28 0.00 0.09 0.00 0.00 57.88 58.43 2crw h LEU 127 Cb 0.24 0.45 -0.16 0.00 0.09 0.00 0.00 40.66 41.28 2crw h LEU 127 CO 0.02 -0.25 0.28 0.00 0.09 0.00 0.00 178.44 178.59 2crw h ALA 128 N 1.40 1.48 -0.52 1.53 0.00 -1.01 0.35 119.26 122.49 2crw h ALA 128 Ca 0.28 0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.52 2crw h ALA 128 Cb 0.50 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 2crw h ALA 128 CO -0.66 -0.58 0.14 0.77 0.00 0.00 0.00 179.25 178.93 2crw h SER 129 N 0.15 0.08 -0.02 0.00 0.02 -0.40 0.34 113.55 113.72 2crw h SER 129 Ca 0.63 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.69 2crw h SER 129 Cb 1.38 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.96 2crw h SER 129 CO -0.73 0.07 -0.43 1.56 -1.14 0.00 0.00 176.83 176.17 2crw h GLN 130 N 0.29 -0.55 -0.52 3.45 1.08 -0.27 0.41 115.11 119.01 2crw h GLN 130 Ca 0.26 0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.43 2crw h GLN 130 Cb 0.33 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 2crw h GLN 130 CO -0.30 -0.37 0.06 0.00 -0.95 0.00 0.00 178.83 177.27 2crw h ALA 131 N -0.04 1.13 0.20 3.87 0.00 -1.34 -3.10 119.26 119.99 2crw h ALA 131 Ca 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2crw h ALA 131 Cb 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2crw h ALA 131 CO -0.33 0.57 -0.10 1.15 0.00 0.00 0.00 179.25 180.54 2crw h THR 132 N 0.79 0.00 -0.76 0.00 2.02 0.52 -3.23 112.91 112.24 2crw h THR 132 Ca 0.16 -0.03 0.11 0.00 0.77 0.00 0.00 66.41 67.42 2crw h THR 132 Cb 0.38 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.68 2crw h THR 132 CO 0.01 0.00 -0.31 -1.14 0.37 0.00 0.00 175.52 174.45 2crw n ARG 133 N -2.81 -0.20 -0.91 6.66 0.63 0.14 -4.18 116.66 115.99 2crw n ARG 133 Ca -0.03 1.17 -0.36 0.00 -0.92 0.00 0.00 57.85 57.71 2crw n ARG 133 Cb 0.11 -1.73 0.07 0.00 0.45 0.00 0.00 32.46 31.36 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 -5.10 -0.37 -0.80 -0.14 3.00 -1.17 -4.25 118.16 109.31 2crw n LYS 134 Ca 0.07 -0.10 -0.20 0.00 -0.00 0.00 0.00 58.31 58.08 2crw n LYS 134 Cb 0.29 -1.25 -0.09 0.00 0.00 0.00 0.00 35.03 33.98 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 -3.44 0.25 0.00 5.64 8.25 -1.26 -4.84 115.22 119.82 2crw n HIS 135 Ca -0.00 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2crw n HIS 135 Cb 0.65 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.66 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 3.39 -2.02 0.21 -1.41 0.00 -1.26 -3.70 105.19 100.40 2crw n GLY 136 Ca 0.36 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.50 2crw n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2crw n THR 137 N 0.00 -0.27 -2.25 2.61 -2.24 -1.26 -3.17 114.28 107.70 2crw n THR 137 Ca 0.00 1.36 -0.32 0.00 -2.27 0.00 0.00 64.05 62.82 2crw n THR 137 Cb 0.00 -2.04 -0.04 0.00 -2.10 0.00 0.00 70.33 66.14 2crw n THR 137 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2crw s ASP 138 N -4.92 5.67 -0.32 3.42 1.01 -1.25 -4.82 116.67 115.46 2crw s ASP 138 Ca -0.08 -1.05 -0.28 0.00 0.71 0.00 0.00 52.55 51.85 2crw s ASP 138 Cb 0.19 -2.57 -0.12 0.00 1.01 0.00 0.00 42.92 41.44 2crw s ASP 138 CO 0.49 -2.27 1.34 0.18 0.21 0.00 0.00 175.17 175.11 2crw n LEU 139 N 12.02 0.50 -0.32 1.23 4.32 -1.19 -4.60 117.00 128.96 2crw n LEU 139 Ca 0.38 0.45 0.06 0.00 -0.02 0.00 0.00 56.01 56.88 2crw n LEU 139 Cb 0.48 -0.57 0.13 0.00 -1.62 0.00 0.00 43.42 41.84 2crw n LEU 139 CO 0.63 -0.49 0.59 -2.67 -1.22 0.00 0.00 177.39 174.22 2crw n TRP 140 N 4.62 0.33 -1.73 -1.77 2.14 -1.24 -4.26 117.44 115.52 2crw n TRP 140 Ca 0.34 1.07 -0.29 0.00 2.07 0.00 0.00 57.50 60.69 2crw n TRP 140 Cb -0.03 -1.02 0.12 0.00 -0.81 0.00 0.00 31.31 29.57 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 -10.86 2.27 -0.65 5.67 2.34 -1.26 -4.86 118.68 111.33 2crw s LEU 141 Ca -0.13 0.83 -0.34 0.00 0.06 0.00 0.00 54.13 54.55 2crw s LEU 141 Cb 0.24 -3.20 -0.16 0.00 -0.56 0.00 0.00 46.19 42.50 2crw s LEU 141 CO 0.69 -2.28 2.41 0.47 -1.06 0.00 0.00 176.35 176.58 2crw n ASP 142 N -3.57 1.18 -4.59 1.48 9.92 -1.26 -4.82 116.55 114.89 2crw n ASP 142 Ca 0.08 0.22 -0.42 0.00 -0.53 0.00 0.00 54.79 54.14 2crw n ASP 142 Cb 0.60 -1.11 -0.02 0.00 -0.64 0.00 0.00 41.12 39.94 2crw n ASP 142 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2crw s SER 143 N 8.51 6.10 -0.12 -2.24 0.15 -1.26 -4.99 113.70 119.85 2crw s SER 143 Ca 1.20 0.78 -0.06 0.00 0.70 0.00 0.00 55.95 58.57 2crw s SER 143 Cb -1.03 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 60.71 2crw s SER 143 CO 0.49 -1.63 0.12 -0.94 1.20 0.00 0.00 173.24 172.47 2crw s SER 144 N 4.88 6.20 0.00 5.45 1.04 -1.26 -5.01 113.70 125.00 2crw s SER 144 Ca 0.64 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.47 2crw s SER 144 Cb -0.15 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2crw s SER 144 CO 0.30 0.39 0.00 0.61 0.98 0.00 0.00 173.24 175.52 2crw n GLY 145 N 2.14 0.68 3.59 7.32 0.00 -1.26 -5.11 105.19 112.55 2crw n GLY 145 Ca -0.19 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 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 -1.11 -1.30 -1.15 1.61 0.04 -1.26 -4.88 135.00 126.94 2crw s PRO 146 Ca 0.00 -0.10 -0.21 0.00 0.04 0.00 0.00 61.00 60.73 2crw s PRO 146 Cb 0.00 -1.59 0.01 0.00 0.04 0.00 0.00 34.50 32.96 2crw s PRO 146 CO 0.00 -3.76 1.74 -1.54 0.04 0.00 0.00 177.00 173.48 2crw s SER 147 N -3.92 6.12 -0.08 6.66 1.04 -1.26 -4.87 113.70 117.40 2crw s SER 147 Ca 0.71 -1.79 -0.30 0.00 0.48 0.00 0.00 55.95 55.05 2crw s SER 147 Cb -0.09 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.52 2crw s SER 147 CO 0.56 -1.90 0.69 -0.44 0.98 0.00 0.00 173.24 173.13 2crw s SER 148 N 5.44 -0.67 0.00 7.02 0.01 -1.26 -5.31 113.70 118.93 2crw s SER 148 Ca 0.57 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.63 2crw s SER 148 Cb 0.01 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.87 2crw s SER 148 CO 0.04 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 173.73