#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 -0.93 0.01 1.61 0.01 -1.26 -5.05 113.70 108.08 2crw s SER 2 Ca 0.00 1.44 -0.21 0.00 1.31 0.00 0.00 55.95 58.49 2crw s SER 2 Cb 0.00 1.67 -0.19 0.00 0.21 0.00 0.00 66.02 67.71 2crw s SER 2 CO 0.00 -0.23 1.18 0.28 0.41 0.00 0.00 173.24 174.89 2crw h SER 3 N 7.48 0.40 0.00 2.44 0.02 -2.03 -3.43 113.55 118.43 2crw h SER 3 Ca -0.25 -0.65 -0.19 0.00 -0.84 0.00 0.00 61.79 59.86 2crw h SER 3 Cb 1.17 -0.12 -0.14 0.00 0.14 0.00 0.00 62.40 63.45 2crw h SER 3 CO 0.15 0.98 -0.25 0.61 -1.14 0.00 0.00 176.83 177.17 2crw n GLY 4 N 0.70 0.43 3.79 -3.77 0.00 -1.26 -4.98 105.19 100.10 2crw n GLY 4 Ca -0.08 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2crw n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2crw n SER 5 N -0.11 -4.37 -4.36 1.61 2.88 -1.26 -4.92 113.62 103.09 2crw n SER 5 Ca -0.03 -0.73 -0.45 0.00 -1.33 0.00 0.00 58.87 56.32 2crw n SER 5 Cb 0.76 -4.21 -0.04 0.00 -0.75 0.00 0.00 64.21 59.97 2crw n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2crw s SER 6 N -3.55 6.34 0.00 -3.46 0.15 -1.26 -4.65 113.70 107.28 2crw s SER 6 Ca 0.50 -1.84 0.00 0.00 0.70 0.00 0.00 55.95 55.32 2crw s SER 6 Cb -0.24 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2crw s SER 6 CO 0.80 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2crw n GLY 7 N 5.03 0.43 3.43 9.45 0.00 -1.26 -4.96 105.19 117.31 2crw n GLY 7 Ca -0.03 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.42 0.73 0.22 1.61 0.00 -1.26 -5.14 119.30 115.04 2crw s MET 8 Ca 0.00 0.51 -0.31 0.00 0.00 0.00 0.00 55.69 55.89 2crw s MET 8 Cb 0.00 0.35 -0.15 0.00 0.00 0.00 0.00 34.83 35.03 2crw s MET 8 CO 0.00 -0.14 1.20 0.41 0.00 0.00 0.00 175.02 176.49 2crw n GLY 9 N 2.17 0.21 3.85 3.16 0.00 -1.26 -4.95 105.19 108.37 2crw n GLY 9 Ca -0.16 0.47 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 2crw n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2crw s ASP 10 N -0.05 6.64 0.13 1.61 1.01 -1.26 -4.92 116.67 119.82 2crw s ASP 10 Ca 0.68 1.38 -0.31 0.00 0.71 0.00 0.00 52.55 55.01 2crw s ASP 10 Cb -0.75 -2.42 -0.08 0.00 1.01 0.00 0.00 42.92 40.68 2crw s ASP 10 CO 0.54 -0.44 1.35 -2.16 0.21 0.00 0.00 175.17 174.67 2crw s PRO 11 N -3.74 4.35 1.00 8.23 0.04 -1.26 -5.02 135.00 138.60 2crw s PRO 11 Ca 0.56 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.51 2crw s PRO 11 Cb -0.10 -3.25 0.19 0.00 0.04 0.00 0.00 34.50 31.38 2crw s PRO 11 CO 0.28 -0.38 1.10 -1.12 0.04 0.00 0.00 177.00 176.92 2crw s SER 12 N 0.94 2.59 0.09 6.66 0.01 -1.26 -4.69 113.70 118.04 2crw s SER 12 Ca 0.62 1.09 -0.35 0.00 1.31 0.00 0.00 55.95 58.62 2crw s SER 12 Cb -0.36 -1.72 -0.16 0.00 0.21 0.00 0.00 66.02 63.99 2crw s SER 12 CO 0.32 -3.14 1.57 0.50 0.41 0.00 0.00 173.24 172.90 2crw h LYS 13 N -1.90 -0.88 -0.90 12.44 3.64 -1.96 -2.02 116.57 124.99 2crw h LYS 13 Ca -0.54 0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.00 2crw h LYS 13 Cb 1.33 0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 33.23 2crw h LYS 13 CO 0.57 -0.59 -0.52 0.37 -2.27 0.00 0.00 179.45 177.01 2crw h GLN 14 N -0.92 -0.06 -0.35 1.90 4.15 -1.98 0.99 115.11 118.84 2crw h GLN 14 Ca -0.04 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.46 2crw h GLN 14 Cb 0.83 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.45 2crw h GLN 14 CO -0.13 -0.04 -0.28 -0.44 -1.93 0.00 0.00 178.83 176.01 2crw h ASP 15 N -0.06 -0.94 -0.80 -0.69 3.32 -1.87 0.12 116.42 115.49 2crw h ASP 15 Ca 0.20 0.17 0.15 0.00 0.02 0.00 0.00 57.03 57.57 2crw h ASP 15 Cb 0.49 0.45 -0.06 0.00 0.22 0.00 0.00 39.33 40.43 2crw h ASP 15 CO -0.89 -0.30 0.53 0.40 -1.72 0.00 0.00 179.24 177.26 2crw h ILE 16 N -0.24 0.79 -0.03 0.35 2.04 -0.16 0.16 117.51 120.42 2crw h ILE 16 Ca 0.16 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 2crw h ILE 16 Cb 0.51 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2crw h ILE 16 CO -0.48 0.09 -0.51 -0.07 0.00 0.00 0.00 178.15 177.18 2crw h LEU 17 N 0.48 0.08 -0.03 1.44 3.38 0.13 -2.83 115.31 117.96 2crw h LEU 17 Ca 0.40 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 2crw h LEU 17 Cb 0.86 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2crw h LEU 17 CO -0.15 0.58 -0.02 0.74 0.09 0.00 0.00 178.44 179.69 2crw h THR 18 N 0.06 1.33 0.00 0.22 2.02 0.57 0.25 112.91 117.36 2crw h THR 18 Ca -0.00 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 2crw h THR 18 Cb 0.92 1.95 -0.00 0.00 -1.74 0.00 0.00 68.15 69.28 2crw h THR 18 CO 0.07 0.27 -0.04 0.40 0.37 0.00 0.00 175.52 176.59 2crw h ILE 19 N -0.34 0.89 0.02 3.11 2.04 -1.42 -2.46 117.51 119.35 2crw h ILE 19 Ca 0.01 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 2crw h ILE 19 Cb 0.44 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2crw h ILE 19 CO 0.00 0.04 -0.53 -0.26 0.00 0.00 0.00 178.15 177.41 2crw h PHE 20 N 0.00 0.06 -1.03 1.37 0.04 -1.37 -3.33 116.94 112.68 2crw h PHE 20 Ca -0.00 -0.04 0.26 0.00 2.80 0.00 0.00 57.97 60.98 2crw h PHE 20 Cb 0.08 -0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.12 2crw h PHE 20 CO 0.00 1.21 0.64 1.57 -0.60 0.00 0.00 178.31 181.12 2crw h LYS 21 N -0.92 0.47 -0.50 1.51 2.10 -0.31 0.60 116.57 119.52 2crw h LYS 21 Ca -0.14 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.47 2crw h LYS 21 Cb 1.18 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 32.38 2crw h LYS 21 CO -0.05 0.31 0.23 -0.09 -2.00 0.00 0.00 179.45 177.85 2crw h ARG 22 N 0.49 0.71 0.00 0.07 9.65 -1.57 -2.63 114.38 121.09 2crw h ARG 22 Ca 0.62 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 59.41 2crw h ARG 22 Cb 1.37 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 2crw h ARG 22 CO -0.38 0.56 -0.36 -0.07 2.80 0.00 0.00 179.97 182.52 2crw h LEU 23 N 0.71 0.00 -0.76 3.80 3.38 -0.21 -3.39 115.31 118.84 2crw h LEU 23 Ca 0.18 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.35 2crw h LEU 23 Cb 0.09 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.70 2crw h LEU 23 CO -0.02 0.64 -0.01 0.54 0.09 0.00 0.00 178.44 179.68 2crw n ARG 24 N -4.47 -0.06 -0.33 1.13 1.74 0.16 0.11 116.66 114.93 2crw n ARG 24 Ca -0.05 1.15 0.10 0.00 -0.77 0.00 0.00 57.85 58.28 2crw n ARG 24 Cb 0.19 -1.81 0.22 0.00 -1.02 0.00 0.00 32.46 30.03 2crw n ARG 24 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2crw h SER 25 N 0.00 -0.60 -2.28 0.55 0.87 -1.65 -3.27 113.55 107.17 2crw h SER 25 Ca 0.45 0.27 -0.60 0.00 -1.23 0.00 0.00 61.79 60.68 2crw h SER 25 Cb 0.90 0.50 0.07 0.00 -0.44 0.00 0.00 62.40 63.43 2crw h SER 25 CO -0.73 -0.32 0.66 0.52 -0.53 0.00 0.00 176.83 176.44 2crw n VAL 26 N -5.51 0.33 0.98 2.23 0.31 0.30 -4.82 118.33 112.16 2crw n VAL 26 Ca 0.19 -0.08 0.02 0.00 -0.01 0.00 0.00 64.34 64.46 2crw n VAL 26 Cb 0.62 -1.37 0.12 0.00 -0.91 0.00 0.00 33.84 32.30 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 2.78 0.49 -0.00 5.55 -0.04 -1.26 -1.82 135.00 140.70 2crw n PRO 27 Ca 0.15 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.63 2crw n PRO 27 Cb 0.28 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.63 0.00 -0.03 0.52 -2.24 -1.26 -4.64 114.28 106.01 2crw n THR 28 Ca 0.03 -0.36 0.03 0.00 -2.27 0.00 0.00 64.05 61.49 2crw n THR 28 Cb 0.01 0.88 -0.12 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.18 1.36 -0.01 3.42 3.02 -0.75 -4.33 115.26 116.78 2crw n ASN 29 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.57 2crw n ASN 29 Cb 0.05 1.46 0.08 0.00 -0.61 0.00 0.00 39.78 40.76 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 -2.21 1.02 -3.77 3.52 2.85 -0.95 -4.64 118.16 113.98 2crw n LYS 30 Ca -0.10 -0.03 -0.24 0.00 -1.05 0.00 0.00 58.31 56.90 2crw n LYS 30 Cb 0.59 -1.05 -0.17 0.00 -0.65 0.00 0.00 35.03 33.75 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 -1.99 0.43 -0.45 0.58 -7.23 -1.26 -1.08 120.40 109.40 2crw s VAL 31 Ca 0.05 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.92 2crw s VAL 31 Cb 0.02 -0.63 -0.14 0.00 0.56 0.00 0.00 36.38 36.19 2crw s VAL 31 CO 0.03 0.20 1.65 0.00 -0.31 0.00 0.00 175.10 176.67 2crw h PHE 33 N 7.06 0.00 0.00 0.00 3.04 -1.65 1.47 116.94 126.85 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 1.01 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.52 2crw h PHE 33 CO 0.73 0.00 0.00 -3.47 -2.02 0.00 0.00 178.31 173.55 2crw n ASP 34 N -3.65 0.00 -0.12 0.41 -0.08 -1.26 -4.67 116.55 107.17 2crw n ASP 34 Ca 0.18 0.69 -0.24 0.00 -1.51 0.00 0.00 54.79 53.92 2crw n ASP 34 Cb 1.11 -0.45 -0.11 0.00 2.34 0.00 0.00 41.12 44.01 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 1.75 1.34 3.68 0.00 0.00 0.50 -4.93 105.19 107.53 2crw n GLY 36 Ca -0.48 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.03 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 0.42 -1.77 4.61 0.00 -1.26 -3.99 120.51 118.53 2crw n ALA 37 Ca 0.00 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.40 2crw n ALA 37 Cb 0.00 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.09 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 3.15 4.05 -0.94 0.00 1.02 -1.26 -1.33 119.74 124.43 2crw s LYS 38 Ca 0.92 2.25 -0.01 0.00 0.02 0.00 0.00 55.97 59.14 2crw s LYS 38 Cb -0.84 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 2crw s LYS 38 CO 0.54 -0.46 0.79 0.09 -0.92 0.00 0.00 175.35 175.39 2crw n ASN 39 N 0.29 -2.58 -4.58 2.83 3.02 -0.25 -4.87 115.26 109.12 2crw n ASN 39 Ca 0.03 -0.46 -0.28 0.00 -0.03 0.00 0.00 54.58 53.83 2crw n ASN 39 Cb 0.42 -4.03 -0.06 0.00 -0.61 0.00 0.00 39.78 35.50 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 -5.20 2.48 0.03 3.52 0.04 -1.20 -4.84 135.00 129.83 2crw s PRO 40 Ca 0.07 -1.06 -0.06 0.00 0.04 0.00 0.00 61.00 59.99 2crw s PRO 40 Cb -0.03 -5.22 -0.02 0.00 0.04 0.00 0.00 34.50 29.27 2crw s PRO 40 CO 0.56 -3.94 1.11 0.66 0.04 0.00 0.00 177.00 175.43 2crw h SER 41 N 9.92 -0.40 -2.24 6.66 4.64 -1.90 -3.38 113.55 126.85 2crw h SER 41 Ca 0.20 0.06 -0.61 0.00 -0.47 0.00 0.00 61.79 60.97 2crw h SER 41 Cb 0.95 0.17 0.14 0.00 -0.31 0.00 0.00 62.40 63.35 2crw h SER 41 CO 1.22 -0.07 -0.44 0.79 -0.87 0.00 0.00 176.83 177.46 2crw n TRP 42 N -3.33 -0.60 -3.70 4.77 7.02 -1.15 -3.90 117.44 116.56 2crw n TRP 42 Ca -0.00 0.62 -0.11 0.00 -1.02 0.00 0.00 57.50 56.99 2crw n TRP 42 Cb 0.06 -1.98 -0.11 0.00 -2.42 0.00 0.00 31.31 26.87 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 -1.46 -1.03 -0.36 6.99 0.00 -1.12 -0.85 121.76 123.92 2crw s ALA 43 Ca 0.63 1.50 -0.20 0.00 0.00 0.00 0.00 51.96 53.89 2crw s ALA 43 Cb -0.62 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 21.59 2crw s ALA 43 CO 0.58 -0.26 0.59 0.45 0.00 0.00 0.00 175.76 177.12 2crw s SER 44 N 1.37 6.38 0.07 0.00 0.15 0.11 -2.20 113.70 119.58 2crw s SER 44 Ca -0.09 0.05 -0.19 0.00 0.70 0.00 0.00 55.95 56.41 2crw s SER 44 Cb -0.08 -2.30 -0.10 0.00 -1.71 0.00 0.00 66.02 61.83 2crw s SER 44 CO -0.12 -0.56 1.49 0.40 1.20 0.00 0.00 173.24 175.65 2crw h ILE 45 N 5.66 1.27 -0.69 6.45 2.04 -1.73 0.14 117.51 130.65 2crw h ILE 45 Ca -0.27 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 64.71 2crw h ILE 45 Cb 1.11 1.45 -0.09 0.00 -0.74 0.00 0.00 36.82 38.55 2crw h ILE 45 CO 0.81 0.29 -0.51 0.74 0.00 0.00 0.00 178.15 179.49 2crw h THR 46 N 0.15 0.00 -0.48 -0.27 2.02 -1.93 0.30 112.91 112.70 2crw h THR 46 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 2crw h THR 46 Cb 0.44 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 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 -5.00 1.19 -3.97 3.16 4.02 -1.23 -4.43 117.16 110.91 2crw n TYR 47 Ca -0.00 -0.46 -0.30 0.00 -0.01 0.00 0.00 57.90 57.13 2crw n TYR 47 Cb 0.25 -0.23 -0.04 0.00 -0.02 0.00 0.00 39.34 39.31 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 0.86 -0.33 3.32 2.72 0.00 0.11 -4.66 105.19 107.20 2crw n GLY 48 Ca 0.20 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.99 1.03 -0.03 1.61 -7.23 -0.08 -1.79 120.40 109.92 2crw s VAL 49 Ca 0.17 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.25 2crw s VAL 49 Cb -0.09 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2crw s VAL 49 CO 0.78 -0.36 0.21 -0.36 -0.31 0.00 0.00 175.10 175.06 2crw s PHE 50 N -3.42 3.58 0.19 2.82 0.08 -1.26 0.05 117.98 120.02 2crw s PHE 50 Ca 0.28 0.50 -0.01 0.00 0.12 0.00 0.00 56.93 57.82 2crw s PHE 50 Cb 0.05 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 2crw s PHE 50 CO 0.08 0.66 0.11 -0.51 -0.10 0.00 0.00 175.22 175.46 2crw s LEU 51 N -1.60 1.37 0.10 -0.37 1.43 -0.03 -1.82 118.68 117.75 2crw s LEU 51 Ca 0.24 -1.34 0.08 0.00 -1.03 0.00 0.00 54.13 52.07 2crw s LEU 51 Cb -0.13 0.30 -0.04 0.00 0.03 0.00 0.00 46.19 46.36 2crw s LEU 51 CO 0.14 -0.79 -0.14 0.00 0.23 0.00 0.00 176.35 175.79 2crw n ILE 53 N 0.86 -0.25 0.00 0.00 0.13 -1.26 0.48 119.36 119.32 2crw n ILE 53 Ca -0.15 1.28 0.00 0.00 -1.10 0.00 0.00 62.75 62.78 2crw n ILE 53 Cb 0.52 -1.97 0.00 0.00 -0.84 0.00 0.00 39.64 37.35 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 -4.56 0.00 0.20 9.51 2.03 -1.26 -2.93 116.55 119.54 2crw n ASP 54 Ca 0.19 0.91 -0.15 0.00 0.52 0.00 0.00 54.79 56.25 2crw n ASP 54 Cb 0.63 -0.44 -0.07 0.00 -0.72 0.00 0.00 41.12 40.51 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 0.14 -0.07 0.00 3.41 0.18 0.18 113.62 112.00 2crw n SER 56 Ca -0.09 0.94 -0.08 0.00 -0.26 0.00 0.00 58.87 59.38 2crw n SER 56 Cb 0.36 -0.46 -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 0.33 0.22 5.00 0.00 -1.24 -2.05 103.07 105.33 2crw h GLY 57 Ca 0.61 -0.06 0.12 0.00 0.00 0.00 0.00 47.33 48.00 2crw h GLY 57 CO -0.31 0.03 0.26 1.76 0.00 0.00 0.00 176.54 178.29 2crw h SER 58 N 0.21 0.24 -0.22 0.19 0.02 0.17 -1.54 113.55 112.63 2crw h SER 58 Ca 0.12 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2crw h SER 58 Cb 0.09 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2crw h SER 58 CO -0.12 0.11 0.12 0.45 -1.14 0.00 0.00 176.83 176.25 2crw h HIS 59 N 0.42 0.30 -1.02 3.45 3.86 -1.46 -2.52 115.15 118.18 2crw h HIS 59 Ca 0.37 -0.01 0.25 0.00 -1.16 0.00 0.00 60.37 59.83 2crw h HIS 59 Cb 0.53 -0.10 -0.11 0.00 1.06 0.00 0.00 27.41 28.80 2crw h HIS 59 CO -0.18 0.26 0.64 0.00 0.86 0.00 0.00 177.93 179.51 2crw h ARG 60 N 0.26 0.48 -0.18 2.45 3.08 -0.59 0.23 114.38 120.11 2crw h ARG 60 Ca 0.08 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2crw h ARG 60 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2crw h ARG 60 CO -0.01 0.32 0.04 0.77 -1.07 0.00 0.00 179.97 180.02 2crw h SER 61 N 0.50 0.27 -0.82 7.04 0.02 -1.08 -3.04 113.55 116.43 2crw h SER 61 Ca 0.61 -0.24 0.20 0.00 -0.84 0.00 0.00 61.79 61.52 2crw h SER 61 Cb 1.35 -0.07 -0.14 0.00 0.14 0.00 0.00 62.40 63.67 2crw h SER 61 CO -0.37 0.44 0.02 -0.07 -1.14 0.00 0.00 176.83 175.71 2crw h LEU 62 N 0.10 -0.37 0.00 5.07 3.38 -0.79 -3.47 115.31 119.23 2crw h LEU 62 Ca 0.06 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2crw h LEU 62 Cb 0.27 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2crw h LEU 62 CO 0.00 -0.22 0.00 0.61 0.09 0.00 0.00 178.44 178.93 2crw n GLY 63 N -1.44 4.14 0.46 0.83 0.00 -1.14 -4.66 105.19 103.37 2crw n GLY 63 Ca 0.16 -1.11 0.24 0.00 0.00 0.00 0.00 46.02 45.31 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 0.16 0.04 1.61 -1.51 -1.79 1.15 116.25 115.91 2crw h VAL 64 Ca 0.00 0.00 -0.24 0.00 -1.23 0.00 0.00 66.70 65.23 2crw h VAL 64 Cb 0.00 0.31 0.00 0.00 -2.13 0.00 0.00 31.29 29.47 2crw h VAL 64 CO 0.00 0.00 -1.02 1.12 -1.23 0.00 0.00 177.57 176.44 2crw h HIS 65 N 0.00 0.55 0.22 5.19 -0.00 -1.97 -3.13 115.15 116.01 2crw h HIS 65 Ca 0.33 -0.33 -0.32 0.00 -0.00 0.00 0.00 60.37 60.05 2crw h HIS 65 Cb 2.01 -0.05 0.03 0.00 -0.00 0.00 0.00 27.41 29.40 2crw h HIS 65 CO 0.00 1.17 -1.41 1.25 -0.00 0.00 0.00 177.93 178.94 2crw h LEU 66 N 0.18 0.80 -6.00 6.12 6.46 0.99 -3.45 115.31 120.41 2crw h LEU 66 Ca -0.09 -0.83 0.09 0.00 -0.12 0.00 0.00 57.88 56.92 2crw h LEU 66 Cb 1.68 -0.26 -0.21 0.00 -0.73 0.00 0.00 40.66 41.14 2crw h LEU 66 CO 0.17 1.65 -0.26 -0.44 -0.62 0.00 0.00 178.44 178.94 2crw s SER 67 N -7.50 -1.33 -0.05 1.25 0.01 -0.04 -4.93 113.70 101.11 2crw s SER 67 Ca -0.08 0.50 -0.30 0.00 1.31 0.00 0.00 55.95 57.38 2crw s SER 67 Cb 0.05 1.98 -0.02 0.00 0.21 0.00 0.00 66.02 68.24 2crw s SER 67 CO 0.94 -0.25 1.00 0.12 0.41 0.00 0.00 173.24 175.46 2crw s PHE 68 N 2.86 3.59 0.03 2.43 2.19 -1.18 -4.35 117.98 123.54 2crw s PHE 68 Ca 0.15 1.64 0.01 0.00 0.33 0.00 0.00 56.93 59.06 2crw s PHE 68 Cb -0.12 -3.16 -0.04 0.00 -1.31 0.00 0.00 43.02 38.40 2crw s PHE 68 CO -0.22 -0.13 0.10 0.42 1.83 0.00 0.00 175.22 177.22 2crw s ILE 69 N 1.49 4.76 -0.29 3.12 -1.09 -1.26 -2.34 121.20 125.58 2crw s ILE 69 Ca 0.50 -0.51 -0.13 0.00 -2.23 0.00 0.00 60.65 58.29 2crw s ILE 69 Cb -0.20 -3.23 0.13 0.00 -1.58 0.00 0.00 42.46 37.58 2crw s ILE 69 CO 0.23 0.26 0.77 -0.13 -1.23 0.00 0.00 174.94 174.84 2crw s ARG 70 N -2.01 0.53 0.98 2.79 0.52 -0.93 -5.00 118.95 115.84 2crw s ARG 70 Ca 0.26 1.16 -0.16 0.00 -0.52 0.00 0.00 55.73 56.47 2crw s ARG 70 Cb -0.12 0.51 0.26 0.00 0.52 0.00 0.00 34.95 36.11 2crw s ARG 70 CO 0.18 -0.15 0.59 0.43 0.02 0.00 0.00 175.30 176.37 2crw n SER 71 N 4.85 -3.39 -0.01 0.23 7.64 -1.26 -2.81 113.62 118.87 2crw n SER 71 Ca -0.14 -0.61 -0.01 0.00 1.01 0.00 0.00 58.87 59.12 2crw n SER 71 Cb 0.53 -0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 63.05 2crw n SER 71 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2crw n THR 72 N -4.88 0.10 -0.08 0.44 -2.24 -1.25 -4.41 114.28 101.96 2crw n THR 72 Ca 0.09 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.68 2crw n THR 72 Cb 0.40 -0.87 -0.08 0.00 -2.10 0.00 0.00 70.33 67.68 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 0.40 -0.78 5.08 -1.95 -3.42 114.58 113.91 2crw h GLU 73 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2crw h GLU 73 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2crw h GLU 73 CO 0.00 0.64 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.39 2crw h LEU 74 N -1.00 -0.45 -9.26 1.33 3.38 -2.00 -3.43 115.31 103.88 2crw h LEU 74 Ca -0.16 0.02 -0.54 0.00 0.09 0.00 0.00 57.88 57.28 2crw h LEU 74 Cb 0.91 0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.79 2crw h LEU 74 CO -0.10 -0.12 1.28 -1.81 0.09 0.00 0.00 178.44 177.79 2crw s ASP 75 N -4.35 6.24 0.00 -0.43 1.11 -1.26 -4.79 116.67 113.19 2crw s ASP 75 Ca -0.08 2.45 0.00 0.00 0.18 0.00 0.00 52.55 55.11 2crw s ASP 75 Cb 0.01 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.47 2crw s ASP 75 CO 0.23 -1.25 0.00 -1.54 1.18 0.00 0.00 175.17 173.79 2crw n SER 76 N 8.46 3.91 -1.57 0.27 3.41 -1.26 -4.51 113.62 122.32 2crw n SER 76 Ca 0.22 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.80 2crw n SER 76 Cb 0.42 0.78 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 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 -1.17 5.50 -3.86 4.04 4.13 -1.26 -4.64 115.26 118.00 2crw n ASN 77 Ca 0.00 -2.50 -0.30 0.00 1.68 0.00 0.00 54.58 53.46 2crw n ASN 77 Cb 0.00 -1.13 0.26 0.00 -1.54 0.00 0.00 39.78 37.37 2crw n ASN 77 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2crw s TRP 78 N -0.23 0.34 -0.15 3.10 0.52 -1.26 -5.04 118.94 116.22 2crw s TRP 78 Ca 0.06 0.68 0.01 0.00 0.02 0.00 0.00 56.10 56.87 2crw s TRP 78 Cb 0.04 -3.15 0.01 0.00 -1.15 0.00 0.00 33.47 29.21 2crw s TRP 78 CO -0.00 -4.25 -0.19 -1.12 0.02 0.00 0.00 176.95 171.41 2crw s SER 79 N -3.32 3.36 0.16 2.95 0.01 -1.26 -4.51 113.70 111.09 2crw s SER 79 Ca 0.69 -0.55 -0.10 0.00 1.31 0.00 0.00 55.95 57.30 2crw s SER 79 Cb -0.15 -1.50 0.20 0.00 0.21 0.00 0.00 66.02 64.79 2crw s SER 79 CO 0.58 0.07 1.04 0.79 0.41 0.00 0.00 173.24 176.14 2crw n TRP 80 N 4.12 0.08 0.02 2.43 7.02 -1.26 0.14 117.44 129.99 2crw n TRP 80 Ca -0.20 0.82 -0.11 0.00 -1.02 0.00 0.00 57.50 56.99 2crw n TRP 80 Cb 0.51 -0.79 -0.06 0.00 -2.42 0.00 0.00 31.31 28.55 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 0.02 -0.64 -5.99 3.57 -1.92 -2.62 116.94 109.37 2crw h PHE 81 Ca 0.26 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.85 2crw h PHE 81 Cb 0.42 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 2crw h PHE 81 CO -0.57 0.01 0.26 1.96 -2.23 0.00 0.00 178.31 177.75 2crw h GLN 82 N 0.03 0.45 0.33 1.11 4.20 0.84 -2.46 115.11 119.60 2crw h GLN 82 Ca 0.02 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2crw h GLN 82 Cb 0.01 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 2crw h GLN 82 CO -0.02 0.30 -0.50 -0.07 -0.67 0.00 0.00 178.83 177.87 2crw h LEU 83 N 0.46 -1.41 -0.73 1.46 3.38 -0.51 -2.47 115.31 115.49 2crw h LEU 83 Ca 0.32 0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.58 2crw h LEU 83 Cb 0.37 0.49 -0.13 0.00 0.09 0.00 0.00 40.66 41.48 2crw h LEU 83 CO -0.29 -0.61 -0.10 0.03 0.09 0.00 0.00 178.44 177.56 2crw h ARG 84 N -0.87 0.04 -1.76 1.13 2.47 -1.14 0.35 114.38 114.61 2crw h ARG 84 Ca -0.03 -0.00 0.54 0.00 -1.26 0.00 0.00 59.98 59.22 2crw h ARG 84 Cb 0.81 -0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 29.02 2crw h ARG 84 CO -0.16 0.03 1.23 0.00 0.56 0.00 0.00 179.97 181.63 2crw h MET 86 N 0.01 0.62 -0.19 0.00 2.86 -0.31 -3.06 114.93 114.86 2crw h MET 86 Ca 0.91 -0.44 -0.19 0.00 -2.06 0.00 0.00 59.70 57.92 2crw h MET 86 Cb 3.42 0.07 0.00 0.00 0.06 0.00 0.00 31.60 35.15 2crw h MET 86 CO -0.16 1.06 -0.65 1.96 1.06 0.00 0.00 176.91 180.18 2crw h GLN 87 N 0.28 0.69 -0.96 1.72 4.20 0.19 -2.88 115.11 118.36 2crw h GLN 87 Ca -0.01 -0.50 -0.03 0.00 0.06 0.00 0.00 58.65 58.17 2crw h GLN 87 Cb 1.10 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 2crw h GLN 87 CO 0.10 1.12 0.04 1.33 -0.67 0.00 0.00 178.83 180.75 2crw n VAL 88 N -3.94 0.79 0.00 -0.54 0.24 0.53 -4.56 118.33 110.84 2crw n VAL 88 Ca -0.05 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2crw n VAL 88 Cb 0.67 -0.64 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 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 0.15 0.78 0.00 7.63 0.00 -1.13 -4.77 105.19 107.86 2crw n GLY 89 Ca 0.06 -0.08 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 0.22 0.25 0.14 -0.02 0.00 -0.74 -4.35 105.19 100.69 2crw n GLY 90 Ca 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.25 -0.81 1.61 4.21 -1.79 -3.33 115.58 115.22 2crw h ASN 91 Ca 0.00 0.01 0.16 0.00 1.21 0.00 0.00 56.30 57.68 2crw h ASN 91 Cb 0.00 0.07 -0.15 0.00 -1.12 0.00 0.00 38.32 37.11 2crw h ASN 91 CO 0.00 -0.01 -0.19 0.00 -1.29 0.00 0.00 177.43 175.94 2crw h ALA 92 N -1.52 0.56 -0.72 -0.83 0.00 -1.89 -0.63 119.26 114.23 2crw h ALA 92 Ca -0.03 0.31 0.11 0.00 0.00 0.00 0.00 54.91 55.30 2crw h ALA 92 Cb 0.23 0.60 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 2crw h ALA 92 CO 0.05 -0.41 -0.28 0.43 0.00 0.00 0.00 179.25 179.04 2crw n SER 93 N -5.52 -0.47 0.01 0.00 7.64 -1.25 -0.06 113.62 113.98 2crw n SER 93 Ca 0.12 1.25 -0.13 0.00 1.01 0.00 0.00 58.87 61.13 2crw n SER 93 Cb 0.42 -0.29 -0.10 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.98 -0.07 -1.03 -0.43 0.00 -1.25 0.67 119.26 118.13 2crw h ALA 94 Ca 0.25 -0.25 0.37 0.00 0.00 0.00 0.00 54.91 55.28 2crw h ALA 94 Cb 0.43 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.13 2crw h ALA 94 CO -0.71 -0.28 0.64 0.45 0.00 0.00 0.00 179.25 179.35 2crw n SER 95 N -4.88 0.19 -0.11 0.00 2.88 0.92 -1.20 113.62 111.43 2crw n SER 95 Ca -0.09 1.15 -0.18 0.00 -1.33 0.00 0.00 58.87 58.42 2crw n SER 95 Cb 0.26 -0.56 -0.07 0.00 -0.75 0.00 0.00 64.21 63.10 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 -4.40 1.92 -0.26 -3.46 7.64 -0.69 -4.10 113.62 110.28 2crw n SER 96 Ca 0.32 0.38 0.06 0.00 1.01 0.00 0.00 58.87 60.63 2crw n SER 96 Cb 1.20 -0.81 0.13 0.00 -1.01 0.00 0.00 64.21 63.71 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 -4.39 0.30 0.50 1.43 -0.00 0.22 0.02 117.46 115.55 2crw n PHE 97 Ca -0.32 0.88 -0.20 0.00 -0.00 0.00 0.00 57.45 57.82 2crw n PHE 97 Cb 0.66 -0.95 -0.09 0.00 -0.00 0.00 0.00 39.48 39.10 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 -0.12 -5.13 -1.00 -1.38 -2.77 116.94 105.35 2crw h PHE 98 Ca 0.37 -0.03 0.04 0.00 2.81 0.00 0.00 57.97 61.16 2crw h PHE 98 Cb 0.61 0.39 -0.06 0.00 3.61 0.00 0.00 35.95 40.50 2crw h PHE 98 CO -0.52 -0.74 -0.40 1.25 -1.61 0.00 0.00 178.31 176.29 2crw h HIS 99 N -1.34 -1.15 -0.98 -0.55 2.76 -0.56 -0.63 115.15 112.69 2crw h HIS 99 Ca -0.13 0.05 0.34 0.00 -2.20 0.00 0.00 60.37 58.43 2crw h HIS 99 Cb 0.98 0.52 -0.17 0.00 1.55 0.00 0.00 27.41 30.30 2crw h HIS 99 CO -0.00 -0.47 0.40 1.96 -1.30 0.00 0.00 177.93 178.52 2crw h GLN 100 N -0.49 0.10 0.55 5.26 1.08 -0.55 -0.01 115.11 121.06 2crw h GLN 100 Ca 0.08 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2crw h GLN 100 Cb 0.62 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.03 2crw h GLN 100 CO -0.38 0.07 -0.26 0.45 -0.95 0.00 0.00 178.83 177.75 2crw h HIS 101 N 0.11 -0.68 0.00 2.96 3.86 -0.85 -3.48 115.15 117.07 2crw h HIS 101 Ca 0.73 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.92 2crw h HIS 101 Cb 1.75 0.23 0.00 0.00 1.06 0.00 0.00 27.41 30.44 2crw h HIS 101 CO -0.15 -0.36 0.00 0.41 0.86 0.00 0.00 177.93 178.69 2crw n GLY 102 N -0.44 0.39 3.01 2.45 0.00 -0.02 -5.10 105.19 105.47 2crw n GLY 102 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 2.45 5.36 -4.52 0.00 2.88 -1.26 -4.67 113.62 113.86 2crw n SER 104 Ca 0.17 -2.51 -0.34 0.00 -1.33 0.00 0.00 58.87 54.87 2crw n SER 104 Cb 0.36 -1.31 -0.12 0.00 -0.75 0.00 0.00 64.21 62.38 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 0.46 3.58 -0.26 2.46 2.01 -1.26 -5.01 115.64 117.61 2crw s THR 105 Ca 0.45 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 2crw s THR 105 Cb 0.22 -2.49 -0.16 0.00 0.01 0.00 0.00 72.50 70.09 2crw s THR 105 CO -0.01 0.56 -0.26 0.59 -0.69 0.00 0.00 174.62 174.82 2crw n ASN 106 N 2.75 1.98 -3.29 3.53 3.02 -1.26 -4.61 115.26 117.37 2crw n ASN 106 Ca -0.18 -0.01 -0.38 0.00 -0.03 0.00 0.00 54.58 53.98 2crw n ASN 106 Cb 0.53 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2crw n ASN 106 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2crw n ASP 107 N -3.52 -0.61 0.06 6.41 9.92 -1.26 -4.60 116.55 122.95 2crw n ASP 107 Ca -0.48 0.85 -0.18 0.00 -0.53 0.00 0.00 54.79 54.44 2crw n ASP 107 Cb 0.96 -0.70 -0.09 0.00 -0.64 0.00 0.00 41.12 40.66 2crw n ASP 107 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2crw h THR 108 N 1.25 1.32 0.00 -3.53 2.02 -1.97 0.65 112.91 112.64 2crw h THR 108 Ca -0.27 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.56 2crw h THR 108 Cb 1.07 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 2crw h THR 108 CO 0.44 0.72 0.00 -3.20 0.37 0.00 0.00 175.52 173.85 2crw n ASN 109 N -3.80 0.00 0.00 4.18 2.85 -1.26 -3.10 115.26 114.13 2crw n ASN 109 Ca -0.10 0.19 -0.03 0.00 -0.11 0.00 0.00 54.58 54.53 2crw n ASN 109 Cb 0.89 -0.39 -0.01 0.00 1.24 0.00 0.00 39.78 41.51 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 -1.39 2.32 -0.34 5.20 0.00 -1.18 -4.01 120.51 121.12 2crw n ALA 110 Ca 0.09 -0.26 0.23 0.00 0.00 0.00 0.00 53.44 53.50 2crw n ALA 110 Cb 0.24 0.18 0.46 0.00 0.00 0.00 0.00 19.45 20.34 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 -0.32 0.36 0.00 0.00 3.64 0.16 0.66 116.57 121.07 2crw h LYS 111 Ca -0.00 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.16 2crw h LYS 111 Cb 0.34 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2crw h LYS 111 CO -0.00 0.24 -1.07 1.88 -2.27 0.00 0.00 179.45 178.23 2crw h TYR 112 N 0.37 0.00 -0.23 1.91 0.05 -1.69 -3.26 116.97 114.11 2crw h TYR 112 Ca 0.72 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.48 2crw h TYR 112 Cb 1.60 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.33 2crw h TYR 112 CO -0.01 0.79 0.03 0.09 -1.05 0.00 0.00 178.16 178.01 2crw n ASN 113 N -3.18 2.85 -4.92 3.88 3.02 0.21 -4.41 115.26 112.71 2crw n ASN 113 Ca -0.04 -2.38 -0.23 0.00 -0.03 0.00 0.00 54.58 51.90 2crw n ASN 113 Cb 0.89 -0.58 -0.00 0.00 -0.61 0.00 0.00 39.78 39.48 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 -0.25 4.87 0.00 6.41 1.04 -0.34 -4.94 113.70 120.49 2crw s SER 114 Ca 0.21 -1.00 -0.25 0.00 0.48 0.00 0.00 55.95 55.39 2crw s SER 114 Cb 0.16 0.06 -0.17 0.00 0.10 0.00 0.00 66.02 66.17 2crw s SER 114 CO 0.06 -1.00 1.24 -0.09 0.98 0.00 0.00 173.24 174.42 2crw h ARG 115 N 0.73 -0.27 -0.90 4.02 9.65 -1.89 -2.75 114.38 122.96 2crw h ARG 115 Ca -0.37 0.02 0.24 0.00 -1.10 0.00 0.00 59.98 58.77 2crw h ARG 115 Cb 1.29 0.06 -0.14 0.00 -1.39 0.00 0.00 29.97 29.79 2crw h ARG 115 CO 0.54 0.07 0.35 0.00 2.80 0.00 0.00 179.97 183.73 2crw h ALA 116 N 0.00 1.44 0.34 2.80 0.00 -1.94 -0.57 119.26 121.34 2crw h ALA 116 Ca -0.03 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2crw h ALA 116 Cb 0.47 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2crw h ALA 116 CO 0.05 -0.43 -0.16 0.00 0.00 0.00 0.00 179.25 178.71 2crw h ALA 117 N 1.76 -0.45 0.01 0.00 0.00 -1.72 -3.14 119.26 115.72 2crw h ALA 117 Ca 0.58 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.36 2crw h ALA 117 Cb 1.17 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 2crw h ALA 117 CO -0.59 -0.69 -0.36 1.96 0.00 0.00 0.00 179.25 179.57 2crw h GLN 118 N -0.59 -0.44 -0.88 0.00 1.08 -0.83 -0.85 115.11 112.59 2crw h GLN 118 Ca -0.05 0.03 0.35 0.00 -1.45 0.00 0.00 58.65 57.53 2crw h GLN 118 Cb 0.43 0.10 -0.13 0.00 -0.05 0.00 0.00 27.48 27.83 2crw h GLN 118 CO 0.08 -0.30 0.51 1.28 -0.95 0.00 0.00 178.83 179.45 2crw n LEU 119 N -4.47 0.25 0.36 1.46 4.77 -0.62 0.03 117.00 118.78 2crw n LEU 119 Ca -0.05 1.27 -0.14 0.00 -0.03 0.00 0.00 56.01 57.05 2crw n LEU 119 Cb 0.27 -0.62 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 2crw n LEU 119 CO 0.09 -1.41 0.48 0.22 -1.33 0.00 0.00 177.39 175.44 2crw h TYR 120 N 0.00 -0.85 -0.42 -1.77 5.03 -1.10 -2.02 116.97 115.83 2crw h TYR 120 Ca 0.69 -0.02 0.04 0.00 2.58 0.00 0.00 58.73 62.01 2crw h TYR 120 Cb 1.93 0.28 -0.05 0.00 1.55 0.00 0.00 36.73 40.44 2crw h TYR 120 CO -0.01 -0.53 -0.25 0.54 -1.32 0.00 0.00 178.16 176.59 2crw n ARG 121 N -4.65 -0.19 -0.15 1.82 1.74 0.10 -0.69 116.66 114.65 2crw n ARG 121 Ca -0.11 1.15 -0.06 0.00 -0.77 0.00 0.00 57.85 58.06 2crw n ARG 121 Cb 0.36 -1.71 -0.00 0.00 -1.02 0.00 0.00 32.46 30.10 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 -0.19 -0.65 5.56 5.08 -1.58 -0.55 114.58 122.26 2crw h GLU 122 Ca 0.07 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.57 2crw h GLU 122 Cb 0.17 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.35 2crw h GLU 122 CO -0.40 -0.13 -0.15 -0.22 -1.00 0.00 0.00 179.01 177.12 2crw h LYS 123 N -0.20 0.01 -0.93 2.33 3.64 -0.13 0.17 116.57 121.47 2crw h LYS 123 Ca 0.20 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.67 2crw h LYS 123 Cb 0.53 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 2crw h LYS 123 CO -0.59 0.01 0.58 0.82 -2.27 0.00 0.00 179.45 177.99 2crw h ILE 124 N 0.01 0.98 -1.00 2.00 1.08 0.60 -1.18 117.51 120.00 2crw h ILE 124 Ca 0.31 -0.34 0.07 0.00 -0.39 0.00 0.00 64.86 64.51 2crw h ILE 124 Cb 0.48 -0.09 -0.07 0.00 -3.07 0.00 0.00 36.82 34.08 2crw h ILE 124 CO -0.66 0.18 0.64 0.50 -0.69 0.00 0.00 178.15 178.12 2crw h LYS 125 N 0.98 1.12 0.10 2.37 3.64 0.05 0.14 116.57 124.96 2crw h LYS 125 Ca 0.43 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2crw h LYS 125 Cb 0.31 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2crw h LYS 125 CO -0.22 0.74 -0.05 0.77 -2.27 0.00 0.00 179.45 178.43 2crw h SER 126 N 1.16 -0.11 -0.96 4.20 0.02 -0.72 -2.54 113.55 114.60 2crw h SER 126 Ca 0.43 0.00 0.25 0.00 -0.84 0.00 0.00 61.79 61.64 2crw h SER 126 Cb 0.18 0.03 -0.13 0.00 0.14 0.00 0.00 62.40 62.62 2crw h SER 126 CO -0.18 -0.05 0.50 -0.07 -1.14 0.00 0.00 176.83 175.89 2crw h LEU 127 N -0.19 0.48 -1.16 5.07 3.38 -1.40 0.44 115.31 121.93 2crw h LEU 127 Ca -0.01 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2crw h LEU 127 Cb 0.10 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2crw h LEU 127 CO 0.02 -0.00 0.57 0.00 0.09 0.00 0.00 178.44 179.12 2crw h ALA 128 N 1.76 1.45 -0.24 1.53 0.00 -0.78 -1.49 119.26 121.49 2crw h ALA 128 Ca 0.63 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.45 2crw h ALA 128 Cb 1.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2crw h ALA 128 CO -0.54 0.47 -0.04 1.03 0.00 0.00 0.00 179.25 180.17 2crw h SER 129 N 1.09 0.34 0.99 0.00 0.87 0.33 -2.73 113.55 114.45 2crw h SER 129 Ca 0.34 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.79 2crw h SER 129 Cb 0.01 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2crw h SER 129 CO -0.10 0.44 -0.47 1.56 -0.53 0.00 0.00 176.83 177.73 2crw h GLN 130 N 0.36 -1.28 -0.26 2.24 4.20 -0.96 0.54 115.11 119.95 2crw h GLN 130 Ca 0.08 0.09 0.06 0.00 0.06 0.00 0.00 58.65 58.94 2crw h GLN 130 Cb 0.31 0.29 -0.07 0.00 0.30 0.00 0.00 27.48 28.31 2crw h GLN 130 CO 0.01 -0.85 -0.25 0.00 -0.67 0.00 0.00 178.83 177.07 2crw h ALA 131 N -1.33 -0.13 0.90 3.87 0.00 -1.47 -2.50 119.26 118.60 2crw h ALA 131 Ca -0.14 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2crw h ALA 131 Cb 1.02 0.52 0.01 0.00 0.00 0.00 0.00 17.79 19.34 2crw h ALA 131 CO 0.22 -0.67 -0.43 1.15 0.00 0.00 0.00 179.25 179.52 2crw h THR 132 N -0.25 0.05 -0.66 0.00 2.02 -1.46 -2.74 112.91 109.87 2crw h THR 132 Ca 0.14 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.30 2crw h THR 132 Cb 0.47 0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 66.85 2crw h THR 132 CO -0.41 0.00 -0.39 -1.14 0.37 0.00 0.00 175.52 173.96 2crw n ARG 133 N -5.59 -0.29 0.20 6.66 3.00 0.19 -0.28 116.66 120.55 2crw n ARG 133 Ca -0.15 1.00 -0.17 0.00 -0.00 0.00 0.00 57.85 58.53 2crw n ARG 133 Cb 0.48 -1.48 -0.10 0.00 0.00 0.00 0.00 32.46 31.37 2crw n ARG 133 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2crw h LYS 134 N 0.00 -0.83 -3.29 -0.14 3.64 -1.45 -3.33 116.57 111.18 2crw h LYS 134 Ca 0.11 0.06 -0.66 0.00 -1.27 0.00 0.00 60.65 58.89 2crw h LYS 134 Cb 0.27 0.19 -0.39 0.00 -0.41 0.00 0.00 32.23 31.89 2crw h LYS 134 CO -0.62 -0.55 -0.45 -1.01 -2.27 0.00 0.00 179.45 174.55 2crw s HIS 135 N -5.70 3.52 0.00 1.91 3.76 0.61 -5.00 115.29 114.39 2crw s HIS 135 Ca -0.17 -3.13 0.00 0.00 -0.15 0.00 0.00 55.06 51.61 2crw s HIS 135 Cb 0.05 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.81 2crw s HIS 135 CO 0.58 -0.68 0.52 0.41 -0.85 0.00 0.00 174.74 174.72 2crw n GLY 136 N 2.57 -3.31 2.33 -2.22 0.00 0.45 -3.43 105.19 101.59 2crw n GLY 136 Ca 0.14 0.39 -0.34 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.81 3.50 -4.31 2.61 -2.24 -1.26 -4.89 114.28 106.88 2crw n THR 137 Ca 0.00 -3.18 -0.19 0.00 -2.27 0.00 0.00 64.05 58.41 2crw n THR 137 Cb 0.00 -1.16 -0.09 0.00 -2.10 0.00 0.00 70.33 66.98 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 -2.00 1.57 -0.64 3.42 1.11 -1.22 -5.06 116.67 113.86 2crw s ASP 138 Ca 0.62 -1.67 -0.04 0.00 0.18 0.00 0.00 52.55 51.65 2crw s ASP 138 Cb 0.49 0.50 0.17 0.00 1.07 0.00 0.00 42.92 45.15 2crw s ASP 138 CO -0.03 -0.99 0.46 -0.76 1.18 0.00 0.00 175.17 175.03 2crw s LEU 139 N -3.37 5.35 0.24 1.23 1.43 -1.26 -4.84 118.68 117.45 2crw s LEU 139 Ca 0.38 -2.85 0.07 0.00 -1.03 0.00 0.00 54.13 50.70 2crw s LEU 139 Cb 0.03 -1.88 0.72 0.00 0.03 0.00 0.00 46.19 45.10 2crw s LEU 139 CO 0.22 -0.38 1.11 -2.67 0.23 0.00 0.00 176.35 174.86 2crw n TRP 140 N 3.52 0.62 -1.22 0.29 2.14 -1.26 -4.52 117.44 117.01 2crw n TRP 140 Ca 0.08 0.84 -0.42 0.00 2.07 0.00 0.00 57.50 60.08 2crw n TRP 140 Cb 0.38 -1.13 -0.03 0.00 -0.81 0.00 0.00 31.31 29.73 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 -4.79 -1.11 -0.14 5.67 4.32 -1.26 -4.82 117.00 114.88 2crw n LEU 141 Ca 0.21 0.98 -0.04 0.00 -0.02 0.00 0.00 56.01 57.14 2crw n LEU 141 Cb 0.71 -0.82 0.05 0.00 -1.62 0.00 0.00 43.42 41.73 2crw n LEU 141 CO -0.03 -2.61 0.89 0.44 -1.22 0.00 0.00 177.39 174.86 2crw h ASP 142 N 0.86 -0.06 -3.21 -1.43 3.32 -2.06 -3.36 116.42 110.48 2crw h ASP 142 Ca -0.24 0.09 -0.60 0.00 0.02 0.00 0.00 57.03 56.29 2crw h ASP 142 Cb 1.25 0.13 -0.11 0.00 0.22 0.00 0.00 39.33 40.82 2crw h ASP 142 CO 0.49 0.00 0.63 -0.55 -1.72 0.00 0.00 179.24 178.10 2crw s SER 143 N -5.29 6.36 -0.88 6.45 0.15 -1.26 -4.97 113.70 114.26 2crw s SER 143 Ca -0.13 -0.27 -0.02 0.00 0.70 0.00 0.00 55.95 56.23 2crw s SER 143 Cb 0.15 -2.45 0.22 0.00 -1.71 0.00 0.00 66.02 62.22 2crw s SER 143 CO 0.72 -1.26 0.77 -0.44 1.20 0.00 0.00 173.24 174.23 2crw s SER 144 N 2.84 6.02 0.29 5.45 0.01 -1.26 -4.97 113.70 122.08 2crw s SER 144 Ca 0.33 -3.64 0.00 0.00 1.31 0.00 0.00 55.95 53.95 2crw s SER 144 Cb -0.12 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2crw s SER 144 CO 0.20 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2crw n GLY 145 N 2.46 -4.67 0.00 3.44 0.00 -1.26 -4.37 105.19 100.79 2crw n GLY 145 Ca 0.20 -0.55 0.08 0.00 0.00 0.00 0.00 46.02 45.75 2crw n GLY 145 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crw n PRO 146 N 0.34 0.37 -0.07 1.61 -0.04 -1.26 -3.03 135.00 132.92 2crw n PRO 146 Ca 0.00 0.06 -0.16 0.00 -0.04 0.00 0.00 63.50 63.36 2crw n PRO 146 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 2crw n PRO 146 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2crw h SER 147 N 0.00 0.04 -4.39 3.54 4.64 -2.04 -3.47 113.55 111.88 2crw h SER 147 Ca 0.00 -0.89 -0.45 0.00 -0.47 0.00 0.00 61.79 59.97 2crw h SER 147 Cb 0.06 -0.01 -0.22 0.00 -0.31 0.00 0.00 62.40 61.92 2crw h SER 147 CO 0.00 1.14 -0.79 -0.44 -0.87 0.00 0.00 176.83 175.87 2crw s SER 148 N -6.42 1.90 0.00 4.97 0.01 -1.17 -5.23 113.70 107.77 2crw s SER 148 Ca -0.21 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.49 2crw s SER 148 Cb -0.01 -0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.19 2crw s SER 148 CO 0.68 -0.03 0.67 0.61 0.41 0.00 0.00 173.24 175.58