#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crw n SER 2 N 0.00 0.29 -4.35 1.61 3.41 -1.26 -5.02 113.62 108.30 2crw n SER 2 Ca 0.00 0.16 -0.42 0.00 -0.26 0.00 0.00 58.87 58.35 2crw n SER 2 Cb 0.00 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 2crw n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2crw s SER 3 N -5.30 5.84 -0.07 4.04 0.01 -1.26 -4.97 113.70 111.98 2crw s SER 3 Ca 0.00 -1.22 -0.00 0.00 1.31 0.00 0.00 55.95 56.04 2crw s SER 3 Cb 0.00 -2.06 -0.00 0.00 0.21 0.00 0.00 66.02 64.17 2crw s SER 3 CO 0.00 -0.50 -0.00 1.23 0.41 0.00 0.00 173.24 174.38 2crw h GLY 4 N 8.52 0.00 0.00 3.44 0.00 -1.99 -3.38 103.07 109.67 2crw h GLY 4 Ca -0.25 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 2crw h GLY 4 CO 0.75 0.00 -1.19 1.44 0.00 0.00 0.00 176.54 177.54 2crw n SER 5 N -4.00 1.84 -4.78 0.19 7.64 -1.26 -4.85 113.62 108.40 2crw n SER 5 Ca -0.00 0.31 -0.36 0.00 1.01 0.00 0.00 58.87 59.82 2crw n SER 5 Cb 0.00 -0.71 -0.07 0.00 -1.01 0.00 0.00 64.21 62.43 2crw n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2crw s SER 6 N -6.18 6.43 0.00 6.43 0.01 -1.26 -4.49 113.70 114.64 2crw s SER 6 Ca -0.28 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.49 2crw s SER 6 Cb 0.06 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.14 2crw s SER 6 CO 0.40 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.88 2crw n GLY 7 N 2.86 3.01 0.33 3.44 0.00 -1.26 -4.69 105.19 108.87 2crw n GLY 7 Ca -0.15 -0.86 0.26 0.00 0.00 0.00 0.00 46.02 45.27 2crw n GLY 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2crw h MET 8 N 0.00 0.20 -0.73 1.61 -1.53 -1.79 -3.47 114.93 109.22 2crw h MET 8 Ca 0.00 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 2crw h MET 8 Cb 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.01 2crw h MET 8 CO 0.00 0.13 -0.17 0.41 0.14 0.00 0.00 176.91 177.42 2crw n GLY 9 N -1.29 -3.60 3.81 1.39 0.00 -1.26 -4.80 105.19 99.44 2crw n GLY 9 Ca 0.33 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 2crw n GLY 9 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2crw s ASP 10 N -1.28 7.01 -0.12 1.61 1.47 -1.26 -4.92 116.67 119.19 2crw s ASP 10 Ca 0.00 1.71 -0.29 0.00 1.18 0.00 0.00 52.55 55.15 2crw s ASP 10 Cb 0.00 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 40.00 2crw s ASP 10 CO 0.00 -0.31 1.54 -2.16 0.68 0.00 0.00 175.17 174.92 2crw s PRO 11 N -2.98 4.12 0.89 2.11 0.04 -1.26 -5.01 135.00 132.91 2crw s PRO 11 Ca 0.60 1.94 -0.12 0.00 0.04 0.00 0.00 61.00 63.46 2crw s PRO 11 Cb -0.11 -3.93 0.12 0.00 0.04 0.00 0.00 34.50 30.62 2crw s PRO 11 CO 0.15 -0.89 1.10 -1.12 0.04 0.00 0.00 177.00 176.28 2crw s SER 12 N 3.12 3.65 0.14 6.66 0.01 -1.26 -4.67 113.70 121.35 2crw s SER 12 Ca 0.68 1.27 -0.30 0.00 1.31 0.00 0.00 55.95 58.91 2crw s SER 12 Cb -0.28 -1.94 -0.08 0.00 0.21 0.00 0.00 66.02 63.92 2crw s SER 12 CO 0.25 -2.50 1.50 0.50 0.41 0.00 0.00 173.24 173.41 2crw h LYS 13 N -1.45 -0.15 -0.59 12.44 3.64 -1.95 -0.65 116.57 127.84 2crw h LYS 13 Ca -0.50 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.95 2crw h LYS 13 Cb 1.30 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 33.08 2crw h LYS 13 CO 0.58 -0.10 -0.40 0.37 -2.27 0.00 0.00 179.45 177.63 2crw h GLN 14 N -0.16 -0.06 -0.42 1.90 4.15 -1.97 0.55 115.11 119.10 2crw h GLN 14 Ca 0.11 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.62 2crw h GLN 14 Cb 0.46 0.01 -0.09 0.00 0.21 0.00 0.00 27.48 28.07 2crw h GLN 14 CO -0.74 -0.04 -0.35 -0.44 -1.93 0.00 0.00 178.83 175.33 2crw h ASP 15 N -0.06 -1.18 -0.96 -0.69 5.19 -1.67 0.30 116.42 117.35 2crw h ASP 15 Ca 0.10 0.20 0.25 0.00 -0.62 0.00 0.00 57.03 56.95 2crw h ASP 15 Cb 0.31 0.54 -0.06 0.00 0.18 0.00 0.00 39.33 40.30 2crw h ASP 15 CO -0.59 -0.33 0.65 0.40 -3.12 0.00 0.00 179.24 176.25 2crw h ILE 16 N -0.27 0.58 -0.08 0.35 2.04 0.37 0.20 117.51 120.70 2crw h ILE 16 Ca 0.17 -0.09 -0.22 0.00 1.00 0.00 0.00 64.86 65.72 2crw h ILE 16 Cb 0.55 0.30 0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2crw h ILE 16 CO -0.56 0.05 -0.84 -0.07 0.00 0.00 0.00 178.15 176.72 2crw h LEU 17 N 0.26 0.77 -1.37 1.44 3.38 0.16 -2.41 115.31 117.54 2crw h LEU 17 Ca 0.50 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2crw h LEU 17 Cb 1.49 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2crw h LEU 17 CO -0.15 1.33 -0.19 0.74 0.09 0.00 0.00 178.44 180.26 2crw h THR 18 N 0.40 1.19 0.00 0.22 2.02 0.99 0.27 112.91 118.00 2crw h THR 18 Ca -0.07 -0.88 -0.20 0.00 0.77 0.00 0.00 66.41 66.03 2crw h THR 18 Cb 1.47 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 69.16 2crw h THR 18 CO 0.16 0.27 -0.98 0.40 0.37 0.00 0.00 175.52 175.73 2crw h ILE 19 N 0.18 1.60 0.18 3.11 2.04 -1.25 -3.32 117.51 120.06 2crw h ILE 19 Ca 0.03 -3.29 -0.32 0.00 1.00 0.00 0.00 64.86 62.29 2crw h ILE 19 Cb 0.44 2.79 0.02 0.00 -0.74 0.00 0.00 36.82 39.32 2crw h ILE 19 CO 0.03 0.91 -1.48 -0.26 0.00 0.00 0.00 178.15 177.35 2crw h PHE 20 N 0.00 0.70 -0.90 1.37 0.04 -1.00 -3.31 116.94 113.85 2crw h PHE 20 Ca -0.02 -0.51 0.20 0.00 2.80 0.00 0.00 57.97 60.43 2crw h PHE 20 Cb 1.74 -0.03 -0.07 0.00 2.20 0.00 0.00 35.95 39.80 2crw h PHE 20 CO 0.00 1.47 0.59 1.57 -0.60 0.00 0.00 178.31 181.35 2crw h LYS 21 N 0.11 0.42 0.00 1.51 2.10 -0.58 0.50 116.57 120.62 2crw h LYS 21 Ca -0.24 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.28 2crw h LYS 21 Cb 2.08 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 33.30 2crw h LYS 21 CO 0.22 0.28 -0.50 0.00 -2.00 0.00 0.00 179.45 177.44 2crw h ARG 22 N 0.43 0.00 0.00 0.07 2.47 -1.66 -3.01 114.38 112.69 2crw h ARG 22 Ca 0.47 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.16 2crw h ARG 22 Cb 1.13 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.45 2crw h ARG 22 CO -0.19 0.50 -0.27 -0.07 0.56 0.00 0.00 179.97 180.51 2crw h LEU 23 N 0.00 0.00 -0.71 3.04 4.07 -0.31 -3.38 115.31 118.03 2crw h LEU 23 Ca -0.01 -0.36 0.15 0.00 0.08 0.00 0.00 57.88 57.74 2crw h LEU 23 Cb 1.08 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.68 2crw h LEU 23 CO 0.07 0.83 -0.16 0.03 -1.08 0.00 0.00 178.44 178.13 2crw h ARG 24 N -1.00 0.01 -0.97 1.13 -0.00 -0.54 0.03 114.38 113.03 2crw h ARG 24 Ca -0.05 -0.00 0.21 0.00 -0.50 0.00 0.00 59.98 59.64 2crw h ARG 24 Cb 0.56 -0.00 -0.18 0.00 0.00 0.00 0.00 29.97 30.35 2crw h ARG 24 CO -0.03 0.01 -0.19 0.45 0.00 0.00 0.00 179.97 180.21 2crw n SER 25 N -5.46 -0.30 -4.63 7.04 2.88 -1.14 -3.61 113.62 108.40 2crw n SER 25 Ca 0.10 1.67 -0.49 0.00 -1.33 0.00 0.00 58.87 58.82 2crw n SER 25 Cb 0.38 -0.53 -0.05 0.00 -0.75 0.00 0.00 64.21 63.26 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 -5.56 0.01 0.97 2.46 0.31 -0.01 -4.81 118.33 111.71 2crw n VAL 26 Ca 0.17 -0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.55 2crw n VAL 26 Cb 0.54 -1.22 0.28 0.00 -0.91 0.00 0.00 33.84 32.54 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 3.00 0.49 -0.00 5.55 -0.04 -1.26 -1.97 135.00 140.76 2crw n PRO 27 Ca 0.18 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.67 2crw n PRO 27 Cb 0.24 -1.31 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.81 0.00 -0.04 0.52 -2.24 -1.26 -4.59 114.28 105.86 2crw n THR 28 Ca 0.07 -0.22 0.03 0.00 -2.27 0.00 0.00 64.05 61.67 2crw n THR 28 Cb 0.03 0.50 -0.16 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.62 0.07 0.00 3.42 3.02 -0.83 -4.18 115.26 115.13 2crw n ASN 29 Ca -0.01 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.58 2crw n ASN 29 Cb 0.19 1.62 0.25 0.00 -0.61 0.00 0.00 39.78 41.22 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 -2.43 0.90 -3.87 3.52 2.85 -0.86 -4.65 118.16 113.63 2crw n LYS 30 Ca -0.15 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.92 2crw n LYS 30 Cb 0.78 -1.14 -0.17 0.00 -0.65 0.00 0.00 35.03 33.85 2crw n LYS 30 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2crw s VAL 31 N -2.00 0.20 -0.45 0.58 -7.23 -1.26 -1.15 120.40 109.09 2crw s VAL 31 Ca 0.12 0.13 -0.43 0.00 -1.81 0.00 0.00 61.98 60.00 2crw s VAL 31 Cb 0.06 -0.33 -0.17 0.00 0.56 0.00 0.00 36.38 36.49 2crw s VAL 31 CO 0.10 0.18 2.01 0.00 -0.31 0.00 0.00 175.10 177.08 2crw h PHE 33 N 8.74 0.00 0.00 0.00 3.04 -1.43 1.10 116.94 128.40 2crw h PHE 33 Ca -0.23 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.72 2crw h PHE 33 Cb 1.38 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.89 2crw h PHE 33 CO 0.90 0.00 0.00 -3.47 -2.02 0.00 0.00 178.31 173.72 2crw n ASP 34 N -3.63 0.00 -0.12 0.41 -0.08 -1.26 -4.70 116.55 107.17 2crw n ASP 34 Ca 0.09 0.62 -0.25 0.00 -1.51 0.00 0.00 54.79 53.75 2crw n ASP 34 Cb 0.74 -0.42 -0.11 0.00 2.34 0.00 0.00 41.12 43.67 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 1.60 1.08 3.65 0.00 0.00 0.38 -4.92 105.19 106.97 2crw n GLY 36 Ca -0.47 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.05 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 0.22 -1.77 4.61 0.00 -1.26 -3.94 120.51 118.37 2crw n ALA 37 Ca 0.00 0.44 -0.38 0.00 0.00 0.00 0.00 53.44 53.49 2crw n ALA 37 Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 17.18 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 1.68 3.92 -1.05 0.00 1.02 -1.26 -0.99 119.74 123.06 2crw s LYS 38 Ca 0.86 1.93 -0.01 0.00 0.02 0.00 0.00 55.97 58.78 2crw s LYS 38 Cb -0.84 -2.62 -0.01 0.00 -0.52 0.00 0.00 37.83 33.84 2crw s LYS 38 CO 0.48 -0.46 0.88 0.09 -0.92 0.00 0.00 175.35 175.41 2crw n ASN 39 N -0.08 -2.56 -4.58 2.83 3.02 -0.30 -4.86 115.26 108.72 2crw n ASN 39 Ca 0.05 -0.56 -0.28 0.00 -0.03 0.00 0.00 54.58 53.76 2crw n ASN 39 Cb 0.46 -4.63 -0.06 0.00 -0.61 0.00 0.00 39.78 34.93 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 -5.09 2.48 0.18 3.52 0.04 -1.23 -4.81 135.00 130.09 2crw s PRO 40 Ca 0.05 -1.16 -0.25 0.00 0.04 0.00 0.00 61.00 59.68 2crw s PRO 40 Cb -0.01 -5.24 0.06 0.00 0.04 0.00 0.00 34.50 29.35 2crw s PRO 40 CO 0.65 -4.00 1.56 0.66 0.04 0.00 0.00 177.00 175.91 2crw h SER 41 N 9.74 -1.64 -3.93 6.66 4.64 -1.89 -3.39 113.55 123.73 2crw h SER 41 Ca 0.21 0.28 -0.55 0.00 -0.47 0.00 0.00 61.79 61.26 2crw h SER 41 Cb 0.94 0.76 0.14 0.00 -0.31 0.00 0.00 62.40 63.93 2crw h SER 41 CO 1.22 -0.30 0.59 0.79 -0.87 0.00 0.00 176.83 178.26 2crw n TRP 42 N -5.39 2.30 -3.70 4.77 7.02 -1.14 -3.86 117.44 117.45 2crw n TRP 42 Ca 0.04 0.44 -0.10 0.00 -1.02 0.00 0.00 57.50 56.85 2crw n TRP 42 Cb 0.34 -2.38 -0.11 0.00 -2.42 0.00 0.00 31.31 26.75 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 -1.27 -1.08 -0.33 6.99 0.00 -1.16 -0.64 121.76 124.27 2crw s ALA 43 Ca 0.68 1.54 -0.20 0.00 0.00 0.00 0.00 51.96 53.98 2crw s ALA 43 Cb -0.43 -0.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 2crw s ALA 43 CO 0.52 -0.26 0.64 0.45 0.00 0.00 0.00 175.76 177.10 2crw s SER 44 N 1.32 6.46 -0.01 0.00 0.15 0.21 -2.49 113.70 119.34 2crw s SER 44 Ca -0.09 0.28 -0.25 0.00 0.70 0.00 0.00 55.95 56.59 2crw s SER 44 Cb -0.08 -2.33 -0.19 0.00 -1.71 0.00 0.00 66.02 61.71 2crw s SER 44 CO -0.12 -0.55 1.27 0.40 1.20 0.00 0.00 173.24 175.44 2crw h ILE 45 N 5.62 1.39 -0.92 6.45 2.04 -1.70 0.53 117.51 130.92 2crw h ILE 45 Ca -0.26 -1.21 0.18 0.00 1.00 0.00 0.00 64.86 64.56 2crw h ILE 45 Cb 1.11 2.15 -0.17 0.00 -0.74 0.00 0.00 36.82 39.17 2crw h ILE 45 CO 0.82 0.32 -0.26 0.74 0.00 0.00 0.00 178.15 179.78 2crw h THR 46 N -0.41 0.07 -0.33 -0.27 2.02 -1.92 0.58 112.91 112.64 2crw h THR 46 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2crw h THR 46 Cb 0.54 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 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 -5.57 0.41 -4.11 3.16 4.02 -1.23 -4.44 117.16 109.41 2crw n TYR 47 Ca 0.13 -0.22 -0.31 0.00 -0.01 0.00 0.00 57.90 57.50 2crw n TYR 47 Cb 0.45 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.74 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 1.42 -0.33 3.48 2.72 0.00 0.20 -4.51 105.19 108.18 2crw n GLY 48 Ca 0.18 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.66 1.82 -0.07 1.61 -7.23 0.49 -0.30 120.40 113.06 2crw s VAL 49 Ca 0.37 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.36 2crw s VAL 49 Cb -0.20 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 2crw s VAL 49 CO 0.91 -0.21 0.15 -0.36 -0.31 0.00 0.00 175.10 175.28 2crw s PHE 50 N -2.88 3.55 0.25 2.82 0.40 -1.26 0.68 117.98 121.53 2crw s PHE 50 Ca 0.32 0.43 0.02 0.00 -0.60 0.00 0.00 56.93 57.09 2crw s PHE 50 Cb 0.04 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 2crw s PHE 50 CO 0.14 0.68 0.17 -0.51 0.70 0.00 0.00 175.22 176.41 2crw s LEU 51 N -1.45 1.37 0.11 -0.37 1.43 0.19 -1.16 118.68 118.79 2crw s LEU 51 Ca 0.21 -1.51 0.10 0.00 -1.03 0.00 0.00 54.13 51.90 2crw s LEU 51 Cb -0.12 0.41 -0.04 0.00 0.03 0.00 0.00 46.19 46.47 2crw s LEU 51 CO 0.11 -0.90 -0.24 0.00 0.23 0.00 0.00 176.35 175.54 2crw n ILE 53 N 1.01 -0.24 0.09 0.00 0.13 -1.26 0.93 119.36 120.02 2crw n ILE 53 Ca -0.17 1.26 -0.04 0.00 -1.10 0.00 0.00 62.75 62.70 2crw n ILE 53 Cb 0.53 -1.82 -0.02 0.00 -0.84 0.00 0.00 39.64 37.48 2crw n ILE 53 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 2crw h ASP 54 N 0.00 -0.22 0.82 9.51 5.19 -2.01 -2.93 116.42 126.77 2crw h ASP 54 Ca 0.34 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.72 2crw h ASP 54 Cb 0.68 0.06 0.01 0.00 0.18 0.00 0.00 39.33 40.26 2crw h ASP 54 CO -0.54 -0.15 -0.41 0.00 -3.12 0.00 0.00 179.24 175.02 2crw n SER 56 N -5.58 0.15 -0.04 0.00 3.41 0.27 0.19 113.62 112.02 2crw n SER 56 Ca -0.15 0.88 -0.08 0.00 -0.26 0.00 0.00 58.87 59.25 2crw n SER 56 Cb 0.45 -0.43 -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 0.17 -0.17 5.00 0.00 -1.27 -2.18 103.07 104.62 2crw h GLY 57 Ca 0.52 0.04 0.11 0.00 0.00 0.00 0.00 47.33 47.99 2crw h GLY 57 CO -0.34 -0.05 -0.19 1.76 0.00 0.00 0.00 176.54 177.73 2crw h SER 58 N 0.04 -0.66 -0.19 0.19 0.02 0.19 -0.80 113.55 112.33 2crw h SER 58 Ca 0.09 0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.25 2crw h SER 58 Cb 0.13 0.40 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 2crw h SER 58 CO -0.18 -0.22 0.02 0.45 -1.14 0.00 0.00 176.83 175.76 2crw h HIS 59 N -0.05 0.02 -0.90 3.45 3.86 -1.51 -1.74 115.15 118.28 2crw h HIS 59 Ca 0.26 0.01 0.18 0.00 -1.16 0.00 0.00 60.37 59.66 2crw h HIS 59 Cb 0.45 0.02 -0.07 0.00 1.06 0.00 0.00 27.41 28.87 2crw h HIS 59 CO -0.50 -0.01 0.58 0.00 0.86 0.00 0.00 177.93 178.87 2crw h ARG 60 N 0.09 0.51 -0.15 2.45 3.08 -0.56 -1.14 114.38 118.65 2crw h ARG 60 Ca 0.09 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2crw h ARG 60 Cb 0.10 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2crw h ARG 60 CO -0.14 0.34 0.04 0.77 -1.07 0.00 0.00 179.97 179.90 2crw h SER 61 N 0.52 0.23 -0.28 7.04 0.02 -0.36 -3.23 113.55 117.49 2crw h SER 61 Ca 0.47 -0.23 0.04 0.00 -0.84 0.00 0.00 61.79 61.22 2crw h SER 61 Cb 0.99 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.40 2crw h SER 61 CO -0.20 0.40 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.31 2crw h LEU 62 N 0.05 -1.68 0.00 5.07 3.38 -0.85 -3.47 115.31 117.81 2crw h LEU 62 Ca 0.05 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2crw h LEU 62 Cb 0.26 0.68 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2crw h LEU 62 CO 0.00 -0.40 0.00 0.61 0.09 0.00 0.00 178.44 178.74 2crw n GLY 63 N -1.37 3.68 0.59 0.83 0.00 -1.14 -4.86 105.19 102.92 2crw n GLY 63 Ca -0.04 -0.36 0.37 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.09 1.61 0.24 -1.26 0.19 118.33 119.02 2crw n VAL 64 Ca 0.00 1.31 -0.12 0.00 -2.04 0.00 0.00 64.34 63.49 2crw n VAL 64 Cb 0.00 -2.28 -0.04 0.00 -1.47 0.00 0.00 33.84 30.05 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 0.67 -0.01 6.34 -0.00 -1.96 -3.22 115.15 116.97 2crw h HIS 65 Ca 0.66 -0.17 -0.01 0.00 -0.00 0.00 0.00 60.37 60.84 2crw h HIS 65 Cb 3.19 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 30.45 2crw h HIS 65 CO 0.00 0.84 -0.03 1.25 -0.00 0.00 0.00 177.93 179.99 2crw h LEU 66 N 0.30 0.04 -6.93 6.12 5.85 0.17 -3.45 115.31 117.42 2crw h LEU 66 Ca 0.06 -0.61 -0.09 0.00 0.84 0.00 0.00 57.88 58.07 2crw h LEU 66 Cb 0.68 -0.01 -0.27 0.00 0.37 0.00 0.00 40.66 41.42 2crw h LEU 66 CO 0.04 0.64 -0.38 -0.44 -0.34 0.00 0.00 178.44 177.97 2crw s SER 67 N -5.87 -0.22 0.05 1.25 0.01 -0.76 -4.89 113.70 103.28 2crw s SER 67 Ca -0.16 0.84 -0.21 0.00 1.31 0.00 0.00 55.95 57.73 2crw s SER 67 Cb 0.01 1.36 -0.06 0.00 0.21 0.00 0.00 66.02 67.54 2crw s SER 67 CO 0.69 -0.25 0.61 0.12 0.41 0.00 0.00 173.24 174.82 2crw s PHE 68 N 2.62 3.77 -0.07 2.43 5.36 -1.21 -4.20 117.98 126.68 2crw s PHE 68 Ca 0.02 1.29 0.04 0.00 -0.96 0.00 0.00 56.93 57.33 2crw s PHE 68 Cb -0.13 -2.58 -0.02 0.00 -0.34 0.00 0.00 43.02 39.96 2crw s PHE 68 CO -0.14 0.48 -0.20 0.42 -1.46 0.00 0.00 175.22 174.32 2crw s ILE 69 N -0.74 2.50 -0.08 3.12 -1.09 -1.26 -2.16 121.20 121.48 2crw s ILE 69 Ca 0.31 -0.91 -0.09 0.00 -2.23 0.00 0.00 60.65 57.73 2crw s ILE 69 Cb -0.19 -1.95 0.02 0.00 -1.58 0.00 0.00 42.46 38.75 2crw s ILE 69 CO 0.19 0.57 0.25 -0.13 -1.23 0.00 0.00 174.94 174.59 2crw s ARG 70 N -0.24 0.34 0.27 2.79 1.81 -1.04 -5.01 118.95 117.87 2crw s ARG 70 Ca -0.00 0.26 -0.23 0.00 -1.72 0.00 0.00 55.73 54.04 2crw s ARG 70 Cb -0.13 0.16 -0.09 0.00 -0.45 0.00 0.00 34.95 34.44 2crw s ARG 70 CO 0.03 -0.05 0.83 -1.12 -0.68 0.00 0.00 175.30 174.31 2crw s SER 71 N -0.08 7.20 -0.16 0.23 0.01 -1.26 -3.00 113.70 116.63 2crw s SER 71 Ca -0.02 1.62 -0.04 0.00 1.31 0.00 0.00 55.95 58.82 2crw s SER 71 Cb -0.02 -2.50 -0.23 0.00 0.21 0.00 0.00 66.02 63.47 2crw s SER 71 CO 0.01 -0.02 0.19 0.35 0.41 0.00 0.00 173.24 174.18 2crw n THR 72 N 0.65 1.69 -0.00 1.44 -2.24 -1.25 -3.20 114.28 111.36 2crw n THR 72 Ca -0.00 -0.63 -0.20 0.00 -2.27 0.00 0.00 64.05 60.95 2crw n THR 72 Cb 0.51 -1.63 -0.14 0.00 -2.10 0.00 0.00 70.33 66.96 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 0.05 0.20 0.02 -0.78 5.08 -1.94 -3.42 114.58 113.79 2crw h GLU 73 Ca -0.47 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 57.54 2crw h GLU 73 Cb 1.99 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.37 2crw h GLU 73 CO 0.03 1.17 -0.01 -0.07 -1.00 0.00 0.00 179.01 179.13 2crw h LEU 74 N -0.49 -0.02 -9.25 1.33 3.38 -1.97 -3.44 115.31 104.84 2crw h LEU 74 Ca -0.22 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.20 2crw h LEU 74 Cb 1.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 2crw h LEU 74 CO 0.05 0.11 0.92 -1.81 0.09 0.00 0.00 178.44 177.80 2crw s ASP 75 N -3.59 6.85 -0.20 -0.43 1.01 -1.20 -4.90 116.67 114.22 2crw s ASP 75 Ca -0.00 1.97 0.12 0.00 0.71 0.00 0.00 52.55 55.35 2crw s ASP 75 Cb 0.00 -2.54 0.43 0.00 1.01 0.00 0.00 42.92 41.82 2crw s ASP 75 CO 0.01 -0.79 1.21 -1.20 0.21 0.00 0.00 175.17 174.61 2crw n SER 76 N 6.33 2.12 -2.31 0.27 7.64 -1.26 -4.08 113.62 122.32 2crw n SER 76 Ca 0.14 -3.62 -0.24 0.00 1.01 0.00 0.00 58.87 56.16 2crw n SER 76 Cb 0.44 -0.47 0.01 0.00 -1.01 0.00 0.00 64.21 63.18 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 -0.86 4.54 -3.41 6.43 4.13 -1.26 -4.44 115.26 120.39 2crw n ASN 77 Ca 0.21 -3.63 -0.24 0.00 1.68 0.00 0.00 54.58 52.60 2crw n ASN 77 Cb 0.79 -0.42 0.19 0.00 -1.54 0.00 0.00 39.78 38.80 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 -0.56 -3.83 -4.98 3.10 7.02 -1.26 -5.07 117.44 111.86 2crw n TRP 78 Ca 0.39 -0.85 -0.29 0.00 -1.02 0.00 0.00 57.50 55.72 2crw n TRP 78 Cb 0.80 -0.88 -0.17 0.00 -2.42 0.00 0.00 31.31 28.64 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 -4.27 2.56 0.20 -0.99 0.01 -1.26 -4.59 113.70 105.35 2crw s SER 79 Ca 0.58 -0.45 -0.04 0.00 1.31 0.00 0.00 55.95 57.35 2crw s SER 79 Cb -0.04 -1.07 0.35 0.00 0.21 0.00 0.00 66.02 65.46 2crw s SER 79 CO 0.43 0.13 1.07 0.79 0.41 0.00 0.00 173.24 176.07 2crw n TRP 80 N 3.51 0.28 -0.07 2.43 5.03 -1.26 0.19 117.44 127.54 2crw n TRP 80 Ca -0.20 0.84 -0.10 0.00 3.03 0.00 0.00 57.50 61.07 2crw n TRP 80 Cb 0.52 -0.92 -0.03 0.00 -1.03 0.00 0.00 31.31 29.85 2crw n TRP 80 CO 0.00 0.00 0.00 0.35 -0.03 0.00 0.00 177.69 178.01 2crw h PHE 81 N 0.00 0.36 0.00 -5.99 3.57 -1.95 -2.30 116.94 110.63 2crw h PHE 81 Ca 0.34 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 2crw h PHE 81 Cb 0.56 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 2crw h PHE 81 CO -0.50 0.36 -0.08 1.96 -2.23 0.00 0.00 178.31 177.82 2crw h GLN 82 N 0.25 0.00 0.67 1.11 4.20 0.17 -2.39 115.11 119.11 2crw h GLN 82 Ca 0.08 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2crw h GLN 82 Cb 0.14 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.93 2crw h GLN 82 CO -0.01 0.08 -0.32 -0.07 -0.67 0.00 0.00 178.83 177.84 2crw h LEU 83 N 0.00 -0.76 -1.11 1.46 -0.00 0.07 -3.20 115.31 111.77 2crw h LEU 83 Ca -0.00 0.03 0.10 0.00 -0.00 0.00 0.00 57.88 58.01 2crw h LEU 83 Cb 0.18 0.20 -0.07 0.00 -0.00 0.00 0.00 40.66 40.97 2crw h LEU 83 CO 0.01 -0.41 0.61 0.03 -0.00 0.00 0.00 178.44 178.68 2crw h ARG 84 N -1.16 0.93 -0.98 1.13 2.47 -1.40 -2.10 114.38 113.27 2crw h ARG 84 Ca -0.09 -0.06 0.29 0.00 -1.26 0.00 0.00 59.98 58.87 2crw h ARG 84 Cb 0.69 -0.21 -0.18 0.00 -1.65 0.00 0.00 29.97 28.62 2crw h ARG 84 CO 0.15 0.62 0.14 0.00 0.56 0.00 0.00 179.97 181.43 2crw h MET 86 N 0.02 0.52 -0.14 0.00 2.86 -1.44 -2.60 114.93 114.15 2crw h MET 86 Ca 0.64 -0.11 -0.16 0.00 -2.06 0.00 0.00 59.70 58.01 2crw h MET 86 Cb 1.40 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.99 2crw h MET 86 CO -0.87 0.55 -0.52 1.96 1.06 0.00 0.00 176.91 179.09 2crw h GLN 87 N 0.50 0.60 -0.89 1.72 4.20 0.24 -3.00 115.11 118.48 2crw h GLN 87 Ca 0.11 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.36 2crw h GLN 87 Cb 0.34 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2crw h GLN 87 CO 0.01 1.08 0.00 1.33 -0.67 0.00 0.00 178.83 180.58 2crw n VAL 88 N -4.18 0.18 0.00 -0.54 0.24 0.36 -4.60 118.33 109.78 2crw n VAL 88 Ca -0.07 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2crw n VAL 88 Cb 0.61 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 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 0.09 1.77 0.00 7.63 0.00 -1.00 -4.71 105.19 108.98 2crw n GLY 89 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 1.66 -1.00 0.15 -0.02 0.00 0.59 -4.30 105.19 102.27 2crw n GLY 90 Ca 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.45 -0.38 1.61 4.21 -1.76 -3.07 115.58 115.74 2crw h ASN 91 Ca 0.00 0.04 0.03 0.00 1.21 0.00 0.00 56.30 57.59 2crw h ASN 91 Cb 0.00 0.16 -0.05 0.00 -1.12 0.00 0.00 38.32 37.31 2crw h ASN 91 CO 0.00 -0.18 -0.23 0.00 -1.29 0.00 0.00 177.43 175.73 2crw n ALA 92 N -2.52 -0.24 -0.12 -0.83 0.00 -1.26 -0.29 120.51 115.25 2crw n ALA 92 Ca -0.03 0.32 -0.03 0.00 0.00 0.00 0.00 53.44 53.70 2crw n ALA 92 Cb 0.13 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 2crw n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2crw n SER 93 N -3.89 -0.30 -0.11 0.00 2.88 -1.16 0.80 113.62 111.85 2crw n SER 93 Ca 0.01 0.74 -0.10 0.00 -1.33 0.00 0.00 58.87 58.18 2crw n SER 93 Cb 0.10 -0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 63.35 2crw n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2crw h ALA 94 N -0.10 0.42 -1.49 -1.46 0.00 -0.98 0.23 119.26 115.88 2crw h ALA 94 Ca 0.04 -0.18 0.49 0.00 0.00 0.00 0.00 54.91 55.26 2crw h ALA 94 Cb 0.11 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.66 2crw h ALA 94 CO -0.26 0.10 0.99 0.45 0.00 0.00 0.00 179.25 180.53 2crw n SER 95 N -4.63 0.15 -0.11 0.00 2.88 0.24 -1.65 113.62 110.49 2crw n SER 95 Ca -0.02 1.24 -0.24 0.00 -1.33 0.00 0.00 58.87 58.52 2crw n SER 95 Cb 0.20 -0.61 -0.08 0.00 -0.75 0.00 0.00 64.21 62.97 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 -4.43 1.57 -0.26 -3.46 7.64 -0.59 -4.52 113.62 109.58 2crw n SER 96 Ca 0.40 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2crw n SER 96 Cb 1.63 -0.66 0.04 0.00 -1.01 0.00 0.00 64.21 64.22 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 -4.00 0.07 -0.06 1.43 -0.00 0.78 0.10 117.46 115.78 2crw n PHE 97 Ca -0.44 0.83 -0.09 0.00 -0.00 0.00 0.00 57.45 57.76 2crw n PHE 97 Cb 0.81 -0.79 -0.03 0.00 -0.00 0.00 0.00 39.48 39.48 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 -0.86 -0.00 -5.13 0.04 -1.62 -2.07 116.94 107.30 2crw h PHE 98 Ca 0.26 0.05 -0.00 0.00 2.80 0.00 0.00 57.97 61.07 2crw h PHE 98 Cb 0.43 0.42 -0.00 0.00 2.20 0.00 0.00 35.95 38.99 2crw h PHE 98 CO -0.58 -0.38 0.00 1.25 -0.60 0.00 0.00 178.31 178.01 2crw h HIS 99 N -0.31 0.00 -0.99 -0.55 2.76 0.42 -2.53 115.15 113.95 2crw h HIS 99 Ca 0.14 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.48 2crw h HIS 99 Cb 0.53 -0.00 -0.17 0.00 1.55 0.00 0.00 27.41 29.31 2crw h HIS 99 CO -0.47 0.17 -0.31 1.04 -1.30 0.00 0.00 177.93 177.06 2crw n GLN 100 N -5.01 -0.16 0.13 5.26 1.13 0.80 -0.56 117.38 118.98 2crw n GLN 100 Ca -0.07 1.54 -0.14 0.00 -1.94 0.00 0.00 57.00 56.38 2crw n GLN 100 Cb 0.10 -2.29 -0.08 0.00 0.11 0.00 0.00 30.24 28.09 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 -0.29 0.00 1.08 2.76 -1.30 -3.48 115.15 113.92 2crw h HIS 101 Ca 0.41 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.58 2crw h HIS 101 Cb 0.66 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.72 2crw h HIS 101 CO -0.81 -0.04 0.00 0.41 -1.30 0.00 0.00 177.93 176.19 2crw n GLY 102 N -0.68 0.40 2.64 5.26 0.00 0.28 -5.10 105.19 107.99 2crw n GLY 102 Ca -0.09 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 3.32 6.07 -4.83 0.00 3.41 -1.26 -4.53 113.62 115.79 2crw n SER 104 Ca 0.14 -2.87 -0.37 0.00 -0.26 0.00 0.00 58.87 55.50 2crw n SER 104 Cb 0.37 -1.15 -0.06 0.00 -0.26 0.00 0.00 64.21 63.11 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 -1.36 5.22 -0.25 6.66 2.01 -1.26 -5.00 115.64 121.65 2crw s THR 105 Ca 0.34 0.61 -0.10 0.00 0.31 0.00 0.00 61.69 62.85 2crw s THR 105 Cb 0.23 -3.60 -0.16 0.00 0.01 0.00 0.00 72.50 68.97 2crw s THR 105 CO -0.04 0.56 -0.18 0.59 -0.69 0.00 0.00 174.62 174.86 2crw n ASN 106 N 2.11 1.97 -3.17 3.53 3.02 -1.26 -4.67 115.26 116.79 2crw n ASN 106 Ca -0.16 0.20 -0.40 0.00 -0.03 0.00 0.00 54.58 54.19 2crw n ASN 106 Cb 0.53 -0.72 -0.05 0.00 -0.61 0.00 0.00 39.78 38.93 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 -3.92 -0.14 0.07 6.41 9.92 -1.26 -4.63 116.55 123.00 2crw n ASP 107 Ca -0.47 0.82 -0.11 0.00 -0.53 0.00 0.00 54.79 54.50 2crw n ASP 107 Cb 0.90 -0.65 -0.01 0.00 -0.64 0.00 0.00 41.12 40.72 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 1.90 1.43 0.00 -3.53 2.02 -1.98 0.59 112.91 113.35 2crw h THR 108 Ca -0.34 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.42 2crw h THR 108 Cb 1.01 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 2crw h THR 108 CO 0.45 0.72 0.00 -3.20 0.37 0.00 0.00 175.52 173.86 2crw n ASN 109 N -3.74 0.57 -0.04 4.18 2.85 -1.26 -3.36 115.26 114.45 2crw n ASN 109 Ca -0.05 0.57 -0.07 0.00 -0.11 0.00 0.00 54.58 54.91 2crw n ASN 109 Cb 0.79 -0.71 -0.02 0.00 1.24 0.00 0.00 39.78 41.07 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 -1.70 1.78 -0.32 5.20 0.00 -1.16 -3.90 120.51 120.41 2crw n ALA 110 Ca 0.05 -0.51 0.19 0.00 0.00 0.00 0.00 53.44 53.17 2crw n ALA 110 Cb 0.37 0.15 0.37 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 -0.59 0.08 0.01 0.00 3.64 0.04 1.03 116.57 120.78 2crw h LYS 111 Ca -0.07 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.10 2crw h LYS 111 Cb 0.71 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2crw h LYS 111 CO -0.04 0.05 -0.98 1.88 -2.27 0.00 0.00 179.45 178.09 2crw h TYR 112 N 0.08 0.08 -0.15 1.91 0.05 -1.73 -3.16 116.97 114.06 2crw h TYR 112 Ca 0.66 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 59.38 2crw h TYR 112 Cb 1.47 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.21 2crw h TYR 112 CO -0.29 0.99 0.00 0.09 -1.05 0.00 0.00 178.16 177.90 2crw n ASN 113 N -3.44 1.89 -4.99 3.88 3.02 0.34 -4.47 115.26 111.49 2crw n ASN 113 Ca -0.01 -2.18 -0.19 0.00 -0.03 0.00 0.00 54.58 52.17 2crw n ASN 113 Cb 0.91 -0.46 -0.00 0.00 -0.61 0.00 0.00 39.78 39.62 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 -0.35 5.86 0.08 6.41 1.04 0.00 -4.96 113.70 121.79 2crw s SER 114 Ca 0.13 -0.26 -0.20 0.00 0.48 0.00 0.00 55.95 56.10 2crw s SER 114 Cb 0.09 -1.10 -0.10 0.00 0.10 0.00 0.00 66.02 65.01 2crw s SER 114 CO 0.05 -0.49 1.60 -0.09 0.98 0.00 0.00 173.24 175.28 2crw h ARG 115 N 0.87 0.28 -0.94 4.02 9.65 -1.89 -2.69 114.38 123.69 2crw h ARG 115 Ca -0.45 -0.06 0.20 0.00 -1.10 0.00 0.00 59.98 58.58 2crw h ARG 115 Cb 1.26 -0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 29.72 2crw h ARG 115 CO 0.52 0.39 0.61 0.00 2.80 0.00 0.00 179.97 184.28 2crw h ALA 116 N 0.88 2.08 0.07 2.80 0.00 -1.93 -1.37 119.26 121.79 2crw h ALA 116 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2crw h ALA 116 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2crw h ALA 116 CO -0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 179.25 178.82 2crw h ALA 117 N 1.61 -0.09 0.25 0.00 0.00 -1.68 -3.26 119.26 116.10 2crw h ALA 117 Ca 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2crw h ALA 117 Cb 1.12 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2crw h ALA 117 CO -0.23 -0.36 -0.46 1.96 0.00 0.00 0.00 179.25 180.16 2crw h GLN 118 N -0.47 -0.74 -0.72 0.00 4.20 -0.98 -1.86 115.11 114.55 2crw h GLN 118 Ca -0.01 0.05 0.25 0.00 0.06 0.00 0.00 58.65 59.00 2crw h GLN 118 Cb 0.41 0.17 -0.13 0.00 0.30 0.00 0.00 27.48 28.22 2crw h GLN 118 CO 0.01 -0.49 0.21 1.28 -0.67 0.00 0.00 178.83 179.18 2crw n LEU 119 N -5.14 0.10 0.27 1.46 4.77 -0.78 -0.13 117.00 117.56 2crw n LEU 119 Ca -0.09 1.20 -0.11 0.00 -0.03 0.00 0.00 56.01 56.99 2crw n LEU 119 Cb 0.38 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 2crw n LEU 119 CO 0.18 -1.29 0.51 0.22 -1.33 0.00 0.00 177.39 175.68 2crw h TYR 120 N 0.00 -0.65 -0.55 -1.77 5.03 -1.38 -2.31 116.97 115.34 2crw h TYR 120 Ca 0.53 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.87 2crw h TYR 120 Cb 1.28 0.21 -0.07 0.00 1.55 0.00 0.00 36.73 39.71 2crw h TYR 120 CO -0.17 -0.40 -0.33 0.54 -1.32 0.00 0.00 178.16 176.48 2crw n ARG 121 N -3.91 -0.24 -0.21 1.82 1.74 0.82 -0.26 116.66 116.41 2crw n ARG 121 Ca -0.09 1.17 -0.04 0.00 -0.77 0.00 0.00 57.85 58.12 2crw n ARG 121 Cb 0.27 -1.72 0.02 0.00 -1.02 0.00 0.00 32.46 30.01 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 -0.12 -0.89 5.56 4.39 -1.51 0.22 114.58 122.22 2crw h GLU 122 Ca 0.09 0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.98 2crw h GLU 122 Cb 0.23 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 28.80 2crw h GLU 122 CO -0.52 -0.08 0.45 -0.22 -1.16 0.00 0.00 179.01 177.47 2crw h LYS 123 N -0.13 0.54 -0.60 2.33 3.64 -0.03 0.28 116.57 122.60 2crw h LYS 123 Ca 0.25 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.70 2crw h LYS 123 Cb 0.55 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 2crw h LYS 123 CO -0.70 0.35 0.40 0.82 -2.27 0.00 0.00 179.45 178.06 2crw h ILE 124 N 0.55 0.90 0.12 2.00 1.08 0.10 -1.47 117.51 120.80 2crw h ILE 124 Ca 0.52 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.84 2crw h ILE 124 Cb 0.86 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2crw h ILE 124 CO -0.43 0.08 -0.06 0.50 -0.69 0.00 0.00 178.15 177.55 2crw h LYS 125 N 0.42 -0.16 -0.95 2.37 3.64 -0.16 0.47 116.57 122.20 2crw h LYS 125 Ca 0.27 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.79 2crw h LYS 125 Cb 0.52 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.29 2crw h LYS 125 CO -0.08 0.28 0.58 1.03 -2.27 0.00 0.00 179.45 178.99 2crw h SER 126 N -0.67 0.82 0.04 4.20 0.87 -1.02 -1.52 113.55 116.27 2crw h SER 126 Ca -0.02 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2crw h SER 126 Cb 0.51 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2crw h SER 126 CO 0.03 0.43 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.66 2crw h LEU 127 N 0.90 -0.05 -0.98 2.23 3.38 -1.30 -3.31 115.31 116.18 2crw h LEU 127 Ca 0.48 -0.50 0.33 0.00 0.09 0.00 0.00 57.88 58.28 2crw h LEU 127 Cb 0.51 0.01 -0.17 0.00 0.09 0.00 0.00 40.66 41.10 2crw h LEU 127 CO -0.28 0.67 0.36 0.00 0.09 0.00 0.00 178.44 179.28 2crw h ALA 128 N -0.41 1.71 -0.98 1.53 0.00 0.14 0.96 119.26 122.21 2crw h ALA 128 Ca -0.01 0.27 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2crw h ALA 128 Cb 0.55 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 2crw h ALA 128 CO 0.01 -0.70 0.64 0.66 0.00 0.00 0.00 179.25 179.85 2crw h SER 129 N 0.10 1.04 0.00 0.00 4.64 -1.38 -2.02 113.55 115.93 2crw h SER 129 Ca 0.71 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 2crw h SER 129 Cb 1.68 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 2crw h SER 129 CO -0.76 0.70 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 2crw n GLN 130 N -4.48 0.00 -0.26 4.77 6.02 0.33 0.56 117.38 124.31 2crw n GLN 130 Ca 0.14 0.61 0.06 0.00 -0.01 0.00 0.00 57.00 57.79 2crw n GLN 130 Cb 0.13 -1.45 0.17 0.00 1.02 0.00 0.00 30.24 30.11 2crw n GLN 130 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2crw h ALA 131 N -1.72 0.85 -0.83 -1.58 0.00 -1.51 0.27 119.26 114.74 2crw h ALA 131 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2crw h ALA 131 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2crw h ALA 131 CO 0.00 -0.42 0.00 2.41 0.00 0.00 0.00 179.25 181.24 2crw n THR 132 N -5.31 0.00 -0.29 0.00 -1.04 -0.76 -3.44 114.28 103.43 2crw n THR 132 Ca 0.14 1.33 0.02 0.00 -2.04 0.00 0.00 64.05 63.50 2crw n THR 132 Cb 0.49 -2.32 0.09 0.00 -1.82 0.00 0.00 70.33 66.77 2crw n THR 132 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2crw h ARG 133 N 0.00 -0.02 -6.12 -2.82 2.43 0.31 -3.35 114.38 104.81 2crw h ARG 133 Ca 0.00 0.00 -0.77 0.00 -0.81 0.00 0.00 59.98 58.40 2crw h ARG 133 Cb 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2crw h ARG 133 CO 0.00 -0.01 0.81 1.63 -1.51 0.00 0.00 179.97 180.89 2crw n LYS 134 N -5.52 0.86 -3.76 0.20 4.76 0.95 -0.11 118.16 115.54 2crw n LYS 134 Ca 0.11 0.32 -0.25 0.00 -2.87 0.00 0.00 58.31 55.61 2crw n LYS 134 Cb 0.41 -1.95 0.04 0.00 -1.84 0.00 0.00 35.03 31.69 2crw n LYS 134 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2crw n HIS 135 N 4.82 -2.25 0.00 2.13 8.25 -1.26 -4.64 115.22 122.27 2crw n HIS 135 Ca 0.27 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.63 2crw n HIS 135 Cb 0.09 -4.37 0.00 0.00 1.12 0.00 0.00 29.99 26.83 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 -1.66 1.34 1.76 -1.41 0.00 0.84 0.68 105.19 106.74 2crw n GLY 136 Ca -0.11 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 2.50 -4.05 2.61 -2.24 -1.26 -4.60 114.28 107.24 2crw n THR 137 Ca 0.00 -1.29 -0.35 0.00 -2.27 0.00 0.00 64.05 60.14 2crw n THR 137 Cb 0.00 -1.33 -0.12 0.00 -2.10 0.00 0.00 70.33 66.78 2crw n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2crw s ASP 138 N 0.62 4.87 -0.84 3.42 -1.08 0.21 -5.01 116.67 118.86 2crw s ASP 138 Ca 0.22 -0.20 -0.22 0.00 -0.52 0.00 0.00 52.55 51.84 2crw s ASP 138 Cb 0.18 -1.83 -0.19 0.00 -1.46 0.00 0.00 42.92 39.62 2crw s ASP 138 CO 0.00 0.06 2.17 0.18 0.52 0.00 0.00 175.17 178.10 2crw n LEU 139 N 4.28 0.90 -0.17 -1.34 7.99 -1.26 -4.75 117.00 122.65 2crw n LEU 139 Ca -0.17 -1.66 0.01 0.00 -0.01 0.00 0.00 56.01 54.18 2crw n LEU 139 Cb 0.52 -1.45 0.04 0.00 -0.11 0.00 0.00 43.42 42.42 2crw n LEU 139 CO 0.32 -2.72 0.29 -2.67 -1.51 0.00 0.00 177.39 171.09 2crw n TRP 140 N 16.21 0.09 -3.49 -1.77 2.14 -1.26 -4.11 117.44 125.25 2crw n TRP 140 Ca 0.44 0.56 -0.32 0.00 2.07 0.00 0.00 57.50 60.25 2crw n TRP 140 Cb 0.41 -0.72 -0.05 0.00 -0.81 0.00 0.00 31.31 30.14 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 -9.42 4.23 0.30 5.67 0.05 -1.26 -5.10 118.68 113.15 2crw s LEU 141 Ca -0.07 0.84 0.07 0.00 0.05 0.00 0.00 54.13 55.02 2crw s LEU 141 Cb 0.11 -3.47 -0.02 0.00 -2.05 0.00 0.00 46.19 40.75 2crw s LEU 141 CO 0.34 0.00 0.33 -1.81 -0.55 0.00 0.00 176.35 174.66 2crw s ASP 142 N -2.25 5.69 -1.01 1.48 1.01 -1.26 -5.03 116.67 115.31 2crw s ASP 142 Ca 0.43 -0.27 -0.23 0.00 0.71 0.00 0.00 52.55 53.20 2crw s ASP 142 Cb -0.12 -1.28 0.02 0.00 1.01 0.00 0.00 42.92 42.55 2crw s ASP 142 CO 0.21 -0.26 1.62 -0.44 0.21 0.00 0.00 175.17 176.52 2crw s SER 143 N -4.01 6.10 -0.39 0.27 0.01 -1.26 -4.93 113.70 109.49 2crw s SER 143 Ca 0.39 -1.31 -0.43 0.00 1.31 0.00 0.00 55.95 55.92 2crw s SER 143 Cb -0.08 -2.57 -0.17 0.00 0.21 0.00 0.00 66.02 63.41 2crw s SER 143 CO 0.28 -1.88 1.80 -1.54 0.41 0.00 0.00 173.24 172.31 2crw n SER 144 N 10.45 1.73 0.00 2.44 3.41 -1.26 -4.56 113.62 125.83 2crw n SER 144 Ca 0.36 0.99 0.00 0.00 -0.26 0.00 0.00 58.87 59.97 2crw n SER 144 Cb 0.49 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 2crw n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crw n GLY 145 N 4.85 0.40 0.19 5.00 0.00 -1.26 -4.69 105.19 109.68 2crw n GLY 145 Ca 0.34 -1.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.47 2crw n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crw h PRO 146 N 0.00 0.27 -4.67 1.61 0.13 -2.05 -3.44 132.00 123.85 2crw h PRO 146 Ca 0.00 -0.14 -0.54 0.00 -0.87 0.00 0.00 66.00 64.45 2crw h PRO 146 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2crw h PRO 146 CO 0.00 0.67 1.29 0.43 -0.23 0.00 0.00 178.00 180.17 2crw n SER 147 N -3.99 0.45 -3.67 1.44 7.64 -1.26 -4.86 113.62 109.37 2crw n SER 147 Ca -0.02 0.37 -0.15 0.00 1.01 0.00 0.00 58.87 60.09 2crw n SER 147 Cb 0.51 -0.77 -0.08 0.00 -1.01 0.00 0.00 64.21 62.86 2crw n SER 147 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2crw s SER 148 N 6.28 -0.46 0.00 6.43 1.04 -1.26 -4.94 113.70 120.78 2crw s SER 148 Ca 1.08 0.66 0.00 0.00 0.48 0.00 0.00 55.95 58.17 2crw s SER 148 Cb -1.17 0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.64 2crw s SER 148 CO 0.49 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.94