#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g1e s VAL 2 N 0.00 2.10 -0.32 2.03 0.11 0.19 -4.83 120.40 119.68 2g1e s VAL 2 Ca 0.00 -1.01 -0.20 0.00 -2.93 0.00 0.00 61.98 57.85 2g1e s VAL 2 Cb 0.00 -1.80 -0.01 0.00 -1.53 0.00 0.00 36.38 33.04 2g1e s VAL 2 CO 0.00 0.56 0.61 -0.89 -3.33 0.00 0.00 175.10 172.04 2g1e s THR 3 N 0.32 4.95 0.00 5.04 2.01 -0.80 -0.07 115.64 127.10 2g1e s THR 3 Ca -0.18 0.74 0.02 0.00 0.31 0.00 0.00 61.69 62.57 2g1e s THR 3 Cb -0.18 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2g1e s THR 3 CO 0.09 -0.16 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.16 2g1e s VAL 4 N 2.57 4.11 0.14 3.82 1.01 0.03 -2.33 120.40 129.75 2g1e s VAL 4 Ca 0.24 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.67 2g1e s VAL 4 Cb -0.15 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2g1e s VAL 4 CO 0.12 0.37 -0.06 -0.13 0.00 0.00 0.00 175.10 175.41 2g1e s ARG 5 N -1.55 2.24 -0.08 2.72 0.52 0.55 -2.51 118.95 120.84 2g1e s ARG 5 Ca 0.19 -1.09 0.03 0.00 -0.52 0.00 0.00 55.73 54.35 2g1e s ARG 5 Cb -0.11 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.05 2g1e s ARG 5 CO 0.10 0.48 -0.18 0.71 0.02 0.00 0.00 175.30 176.43 2g1e s TYR 6 N -1.50 1.99 0.00 -0.53 2.02 -1.20 -2.17 117.35 115.95 2g1e s TYR 6 Ca 0.25 -0.75 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 2g1e s TYR 6 Cb -0.10 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.09 2g1e s TYR 6 CO 0.16 -0.32 0.00 0.66 -1.57 0.00 0.00 175.55 174.48 2g1e n TYR 7 N 3.59 0.00 0.00 2.71 4.02 -0.80 -4.70 117.16 121.98 2g1e n TYR 7 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 2g1e n TYR 7 Cb 0.52 0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 2g1e n TYR 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2g1e n ALA 8 N -2.10 0.00 0.30 -0.72 0.00 -1.19 -4.68 120.51 112.12 2g1e n ALA 8 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2g1e n ALA 8 Cb 0.29 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.92 2g1e n ALA 8 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2g1e n THR 9 N -0.61 1.30 0.12 0.00 -2.24 -1.26 -2.23 114.28 109.36 2g1e n THR 9 Ca 0.00 0.33 0.02 0.00 -2.27 0.00 0.00 64.05 62.13 2g1e n THR 9 Cb 0.00 -1.19 0.38 0.00 -2.10 0.00 0.00 70.33 67.42 2g1e n THR 9 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2g1e h LEU 10 N 0.00 0.21 0.24 3.22 5.85 -1.95 -2.67 115.31 120.21 2g1e h LEU 10 Ca 0.00 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2g1e h LEU 10 Cb 0.12 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2g1e h LEU 10 CO 0.00 0.39 -0.41 0.03 -0.34 0.00 0.00 178.44 178.12 2g1e h ARG 11 N 0.20 -0.67 0.00 1.25 3.08 -1.72 0.59 114.38 117.11 2g1e h ARG 11 Ca 0.04 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2g1e h ARG 11 Cb 0.42 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2g1e h ARG 11 CO 0.03 -0.44 0.00 -0.35 -1.07 0.00 0.00 179.97 178.13 2g1e n PRO 12 N -4.82 0.07 -0.01 0.04 -0.04 -1.20 -0.76 135.00 128.28 2g1e n PRO 12 Ca -0.08 0.22 -0.08 0.00 -0.04 0.00 0.00 63.50 63.51 2g1e n PRO 12 Cb 0.34 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 2g1e n PRO 12 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2g1e h ILE 13 N 0.00 0.96 0.00 0.52 2.04 -0.90 -3.36 117.51 116.77 2g1e h ILE 13 Ca 0.00 -2.80 0.00 0.00 1.00 0.00 0.00 64.86 63.06 2g1e h ILE 13 Cb 0.21 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2g1e h ILE 13 CO 0.00 0.55 -1.11 0.41 0.00 0.00 0.00 178.15 178.00 2g1e n THR 14 N -3.09 0.00 -2.31 -0.27 -1.04 0.09 -4.98 114.28 102.67 2g1e n THR 14 Ca -0.15 -0.19 -0.17 0.00 -2.04 0.00 0.00 64.05 61.50 2g1e n THR 14 Cb 1.04 0.73 -0.01 0.00 -1.82 0.00 0.00 70.33 70.26 2g1e n THR 14 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2g1e n LYS 15 N -1.62 -1.37 -4.15 -2.82 5.02 0.06 -4.98 118.16 108.29 2g1e n LYS 15 Ca 0.01 0.84 -0.11 0.00 -2.02 0.00 0.00 58.31 57.04 2g1e n LYS 15 Cb 0.33 -5.30 -0.10 0.00 -0.02 0.00 0.00 35.03 29.94 2g1e n LYS 15 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2g1e s LYS 16 N -4.84 1.09 -0.13 1.97 1.02 -1.20 -5.06 119.74 112.60 2g1e s LYS 16 Ca 0.00 -1.49 0.07 0.00 0.02 0.00 0.00 55.97 54.57 2g1e s LYS 16 Cb 0.00 0.28 -0.12 0.00 -0.52 0.00 0.00 37.83 37.46 2g1e s LYS 16 CO 0.00 -0.34 -0.03 1.17 -0.92 0.00 0.00 175.35 175.23 2g1e n LYS 17 N -0.19 1.45 -3.69 1.68 4.81 -1.26 -4.69 118.16 116.27 2g1e n LYS 17 Ca -0.02 0.03 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 2g1e n LYS 17 Cb 0.64 -1.29 -0.09 0.00 0.02 0.00 0.00 35.03 34.31 2g1e n LYS 17 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2g1e s GLU 18 N -2.28 0.67 0.15 1.64 -6.30 -1.26 -3.21 118.70 108.11 2g1e s GLU 18 Ca -0.11 0.43 -0.13 0.00 -2.50 0.00 0.00 54.97 52.66 2g1e s GLU 18 Cb 0.04 0.32 0.01 0.00 0.00 0.00 0.00 34.13 34.50 2g1e s GLU 18 CO 0.42 -0.13 0.37 -2.00 0.02 0.00 0.00 175.26 173.94 2g1e s GLU 19 N -0.31 1.15 0.29 4.30 2.12 -1.04 -5.02 118.70 120.18 2g1e s GLU 19 Ca -0.05 -0.93 0.06 0.00 0.36 0.00 0.00 54.97 54.41 2g1e s GLU 19 Cb -0.03 0.44 -0.02 0.00 0.26 0.00 0.00 34.13 34.77 2g1e s GLU 19 CO 0.03 -0.45 0.38 0.95 -0.54 0.00 0.00 175.26 175.63 2g1e s THR 20 N -3.88 4.57 0.07 -1.70 -4.23 -1.26 -0.79 115.64 108.41 2g1e s THR 20 Ca 0.09 -1.07 -0.06 0.00 -1.18 0.00 0.00 61.69 59.47 2g1e s THR 20 Cb 0.02 -3.58 -0.01 0.00 1.34 0.00 0.00 72.50 70.27 2g1e s THR 20 CO -0.06 -0.25 0.12 -0.36 -0.54 0.00 0.00 174.62 173.53 2g1e s PHE 21 N -2.10 0.24 -0.06 3.99 0.40 0.90 -4.91 117.98 116.44 2g1e s PHE 21 Ca 0.39 -0.66 -0.06 0.00 -0.60 0.00 0.00 56.93 56.00 2g1e s PHE 21 Cb -0.09 -0.15 0.02 0.00 0.51 0.00 0.00 43.02 43.31 2g1e s PHE 21 CO 0.29 -0.46 0.17 0.54 0.70 0.00 0.00 175.22 176.46 2g1e s ASN 22 N -2.67 -0.16 0.00 1.36 4.22 -1.26 -0.64 114.94 115.79 2g1e s ASN 22 Ca 0.03 0.29 0.00 0.00 -2.14 0.00 0.00 52.86 51.03 2g1e s ASN 22 Cb 0.04 0.34 0.00 0.00 1.28 0.00 0.00 41.25 42.91 2g1e s ASN 22 CO -0.09 -0.10 0.00 0.61 -2.04 0.00 0.00 177.10 175.49 2g1e n GLY 23 N 2.81 3.09 3.74 0.45 0.00 -1.26 -5.06 105.19 108.97 2g1e n GLY 23 Ca -0.14 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 2g1e n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g1e s ILE 24 N -0.53 3.88 0.00 -0.61 1.01 -1.26 -4.91 121.20 118.78 2g1e s ILE 24 Ca 0.00 1.60 0.00 0.00 0.00 0.00 0.00 60.65 62.25 2g1e s ILE 24 Cb 0.00 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.45 2g1e s ILE 24 CO 0.00 0.26 0.49 -0.24 0.00 0.00 0.00 174.94 175.46 2g1e n SER 25 N 2.49 0.50 -3.98 3.58 2.88 -1.26 -5.00 113.62 112.83 2g1e n SER 25 Ca 0.03 -1.20 -0.08 0.00 -1.33 0.00 0.00 58.87 56.29 2g1e n SER 25 Cb 0.46 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.83 2g1e n SER 25 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2g1e s LYS 26 N -0.20 0.66 0.15 -1.46 -0.14 -1.26 -3.91 119.74 113.57 2g1e s LYS 26 Ca 0.00 -1.00 -0.09 0.00 -1.36 0.00 0.00 55.97 53.51 2g1e s LYS 26 Cb 0.00 0.25 -0.03 0.00 -1.68 0.00 0.00 37.83 36.37 2g1e s LYS 26 CO 0.00 -0.16 1.44 0.82 -0.76 0.00 0.00 175.35 176.69 2g1e h ILE 27 N 3.22 1.28 -0.18 2.17 1.08 -1.31 -2.15 117.51 121.63 2g1e h ILE 27 Ca -0.34 -1.71 0.02 0.00 -0.39 0.00 0.00 64.86 62.45 2g1e h ILE 27 Cb 1.17 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.50 2g1e h ILE 27 CO 0.58 0.55 0.03 -1.28 -0.69 0.00 0.00 178.15 177.35 2g1e h SER 28 N 0.64 0.01 0.44 1.72 0.87 -1.77 -0.99 113.55 114.47 2g1e h SER 28 Ca 0.02 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 2g1e h SER 28 Cb 1.11 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2g1e h SER 28 CO 0.11 0.03 -0.42 -0.33 -0.53 0.00 0.00 176.83 175.69 2g1e h GLU 29 N 0.11 0.00 0.03 2.24 4.39 -1.85 -2.14 114.58 117.36 2g1e h GLU 29 Ca 0.08 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2g1e h GLU 29 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2g1e h GLU 29 CO -0.11 0.42 -0.02 1.25 -1.16 0.00 0.00 179.01 179.40 2g1e h LEU 30 N 0.00 -0.04 -1.12 1.33 7.12 -0.68 0.26 115.31 122.18 2g1e h LEU 30 Ca -0.00 -0.24 -0.08 0.00 0.13 0.00 0.00 57.88 57.68 2g1e h LEU 30 Cb 0.76 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.89 2g1e h LEU 30 CO 0.06 0.22 -0.29 -0.07 -0.13 0.00 0.00 178.44 178.22 2g1e h LEU 31 N -0.29 0.25 0.03 2.25 3.38 -1.15 -1.03 115.31 118.73 2g1e h LEU 31 Ca -0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2g1e h LEU 31 Cb 0.27 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2g1e h LEU 31 CO 0.01 0.54 -0.01 -0.33 0.09 0.00 0.00 178.44 178.74 2g1e h GLU 32 N 0.22 -0.03 -0.18 1.13 4.39 -1.25 -2.44 114.58 116.41 2g1e h GLU 32 Ca 0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 2g1e h GLU 32 Cb 0.64 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2g1e h GLU 32 CO 0.05 0.57 0.11 0.00 -1.16 0.00 0.00 179.01 178.58 2g1e h ARG 33 N -0.67 0.25 -0.04 2.33 3.08 -0.45 -2.43 114.38 116.44 2g1e h ARG 33 Ca -0.00 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.05 2g1e h ARG 33 Cb 0.62 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 2g1e h ARG 33 CO 0.01 0.20 -0.14 -0.07 -1.07 0.00 0.00 179.97 178.90 2g1e h LEU 34 N 0.22 -0.41 -1.29 3.04 4.07 -1.28 0.22 115.31 119.88 2g1e h LEU 34 Ca 0.07 0.07 0.19 0.00 0.08 0.00 0.00 57.88 58.28 2g1e h LEU 34 Cb 0.02 0.18 -0.08 0.00 1.08 0.00 0.00 40.66 41.86 2g1e h LEU 34 CO -0.01 -0.19 0.60 0.50 -1.08 0.00 0.00 178.44 178.26 2g1e h LYS 35 N -0.21 0.58 0.02 1.13 3.11 -1.30 0.21 116.57 120.10 2g1e h LYS 35 Ca 0.06 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2g1e h LYS 35 Cb 0.29 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2g1e h LYS 35 CO -0.16 0.38 -0.01 0.28 -2.81 0.00 0.00 179.45 177.13 2g1e h VAL 36 N 0.60 1.48 -0.46 2.00 2.07 -0.81 -1.65 116.25 119.48 2g1e h VAL 36 Ca 0.50 -1.68 0.06 0.00 0.82 0.00 0.00 66.70 66.40 2g1e h VAL 36 Cb 0.98 2.59 -0.05 0.00 -1.52 0.00 0.00 31.29 33.28 2g1e h VAL 36 CO -0.25 0.42 0.17 -0.08 0.02 0.00 0.00 177.57 177.86 2g1e h GLU 37 N -0.77 0.34 0.00 1.57 4.22 0.11 -0.88 114.58 119.18 2g1e h GLU 37 Ca -0.00 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.37 2g1e h GLU 37 Cb 0.71 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2g1e h GLU 37 CO 0.00 0.23 -0.24 1.88 -2.18 0.00 0.00 179.01 178.70 2g1e h TYR 38 N 0.35 0.00 0.00 0.92 0.05 -0.72 -3.49 116.97 114.08 2g1e h TYR 38 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 2g1e h TYR 38 Cb 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.95 2g1e h TYR 38 CO -0.15 0.24 0.00 0.41 -1.05 0.00 0.00 178.16 177.61 2g1e n GLY 39 N 0.16 -1.87 0.14 3.88 0.00 -0.34 -4.25 105.19 102.91 2g1e n GLY 39 Ca 0.00 -1.66 -0.00 0.00 0.00 0.00 0.00 46.02 44.36 2g1e n GLY 39 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2g1e h SER 40 N 0.00 0.00 -0.99 1.61 4.64 -1.87 -3.14 113.55 113.80 2g1e h SER 40 Ca 0.00 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.54 2g1e h SER 40 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 2g1e h SER 40 CO 0.00 0.58 0.57 -0.08 -0.87 0.00 0.00 176.83 177.04 2g1e h GLU 41 N 0.00 0.61 0.05 4.77 4.57 -1.93 0.27 114.58 122.92 2g1e h GLU 41 Ca -0.01 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2g1e h GLU 41 Cb 1.06 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 2g1e h GLU 41 CO 0.08 0.41 -0.02 0.35 -1.18 0.00 0.00 179.01 178.64 2g1e h PHE 42 N 0.63 -0.06 -0.77 0.92 3.57 -1.72 -1.22 116.94 118.29 2g1e h PHE 42 Ca 0.61 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 62.24 2g1e h PHE 42 Cb 1.07 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.74 2g1e h PHE 42 CO -0.02 0.58 0.35 1.15 -2.23 0.00 0.00 178.31 178.14 2g1e h THR 43 N -0.84 0.72 -0.16 4.41 2.02 -1.38 -0.30 112.91 117.38 2g1e h THR 43 Ca -0.01 -0.18 -0.20 0.00 0.77 0.00 0.00 66.41 66.79 2g1e h THR 43 Cb 0.67 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2g1e h THR 43 CO 0.01 0.10 -0.70 0.11 0.37 0.00 0.00 175.52 175.40 2g1e h LYS 44 N 0.52 0.75 0.00 6.66 1.79 -0.59 0.28 116.57 125.98 2g1e h LYS 44 Ca 0.41 -0.60 -0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2g1e h LYS 44 Cb 0.58 0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2g1e h LYS 44 CO -0.36 1.21 -0.01 1.96 -1.08 0.00 0.00 179.45 181.17 2g1e h GLN 45 N 0.47 0.00 0.00 3.15 1.08 -0.18 -2.57 115.11 117.06 2g1e h GLN 45 Ca -0.04 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.84 2g1e h GLN 45 Cb 1.33 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.71 2g1e h GLN 45 CO 0.15 0.01 -2.19 -0.12 -0.95 0.00 0.00 178.83 175.73 2g1e n MET 46 N -3.21 0.99 -2.15 1.46 1.56 -0.22 -4.83 117.12 110.72 2g1e n MET 46 Ca -0.03 0.04 -0.40 0.00 -0.27 0.00 0.00 57.70 57.04 2g1e n MET 46 Cb 0.10 -1.43 -0.03 0.00 2.15 0.00 0.00 33.22 34.01 2g1e n MET 46 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 2g1e s TYR 47 N -2.42 1.90 -0.54 1.12 1.51 0.97 -4.68 117.35 115.21 2g1e s TYR 47 Ca -0.16 0.64 0.03 0.00 -1.01 0.00 0.00 57.07 56.57 2g1e s TYR 47 Cb 0.06 -4.20 0.14 0.00 -0.11 0.00 0.00 41.96 37.84 2g1e s TYR 47 CO 0.62 -2.34 0.29 -0.51 -1.11 0.00 0.00 175.55 172.50 2g1e s ASP 48 N 6.43 4.44 0.00 2.29 1.01 -1.26 -4.84 116.67 124.74 2g1e s ASP 48 Ca 0.65 -3.01 0.00 0.00 0.71 0.00 0.00 52.55 50.90 2g1e s ASP 48 Cb -0.14 -1.67 0.00 0.00 1.01 0.00 0.00 42.92 42.12 2g1e s ASP 48 CO 0.25 -0.25 0.00 0.61 0.21 0.00 0.00 175.17 175.99 2g1e n GLY 49 N 3.13 1.89 1.51 0.21 0.00 -1.26 -4.80 105.19 105.87 2g1e n GLY 49 Ca 0.06 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2g1e n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2g1e n ASN 50 N 0.00 0.29 -4.63 1.61 2.85 -1.26 -5.12 115.26 109.00 2g1e n ASN 50 Ca 0.00 0.20 -0.24 0.00 -0.11 0.00 0.00 54.58 54.43 2g1e n ASN 50 Cb 0.00 0.03 -0.08 0.00 1.24 0.00 0.00 39.78 40.97 2g1e n ASN 50 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2g1e s ASN 51 N -5.12 4.27 0.04 1.20 0.01 -1.26 -5.05 114.94 109.03 2g1e s ASN 51 Ca 0.00 -0.87 0.00 0.00 -0.71 0.00 0.00 52.86 51.28 2g1e s ASN 51 Cb 0.00 -0.62 0.00 0.00 0.41 0.00 0.00 41.25 41.04 2g1e s ASN 51 CO 0.00 -0.14 0.00 -0.11 -1.51 0.00 0.00 177.10 175.34 2g1e n LEU 52 N -0.92 -0.02 0.06 0.60 -0.00 -1.26 -4.54 117.00 110.93 2g1e n LEU 52 Ca -0.05 0.07 0.19 0.00 -0.00 0.00 0.00 56.01 56.22 2g1e n LEU 52 Cb 0.61 0.05 0.72 0.00 -0.00 0.00 0.00 43.42 44.80 2g1e n LEU 52 CO 0.42 -0.53 1.17 0.15 -0.00 0.00 0.00 177.39 178.60 2g1e h PHE 53 N 0.00 0.00 0.00 1.96 3.04 -1.95 0.61 116.94 120.60 2g1e h PHE 53 Ca 0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 2g1e h PHE 53 Cb 0.03 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.54 2g1e h PHE 53 CO 0.00 0.00 -0.01 -0.22 -2.02 0.00 0.00 178.31 176.06 2g1e h LYS 54 N 0.00 0.00 0.00 1.11 3.64 -2.01 -2.86 116.57 116.44 2g1e h LYS 54 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2g1e h LYS 54 Cb 0.87 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2g1e h LYS 54 CO -0.00 0.01 -0.56 0.09 -2.27 0.00 0.00 179.45 176.72 2g1e n ASN 55 N -3.14 1.98 -4.58 4.20 4.13 0.11 -5.05 115.26 112.91 2g1e n ASN 55 Ca -0.01 -0.32 -0.45 0.00 1.68 0.00 0.00 54.58 55.49 2g1e n ASN 55 Cb 0.20 1.05 -0.02 0.00 -1.54 0.00 0.00 39.78 39.48 2g1e n ASN 55 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 2g1e n VAL 56 N -1.29 1.99 -3.91 2.41 3.14 0.17 -4.57 118.33 116.27 2g1e n VAL 56 Ca 0.00 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.53 2g1e n VAL 56 Cb 0.05 -0.95 -0.14 0.00 -1.06 0.00 0.00 33.84 31.74 2g1e n VAL 56 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 2g1e s ILE 57 N -1.05 3.07 -0.10 1.55 1.10 -1.24 -4.97 121.20 119.55 2g1e s ILE 57 Ca 0.59 -1.13 0.03 0.00 -0.51 0.00 0.00 60.65 59.63 2g1e s ILE 57 Cb -0.71 -2.65 0.00 0.00 0.15 0.00 0.00 42.46 39.26 2g1e s ILE 57 CO 0.60 0.06 -0.21 0.27 -2.11 0.00 0.00 174.94 173.54 2g1e s ILE 58 N 1.32 1.88 -0.23 2.00 -0.00 -1.26 -2.43 121.20 122.47 2g1e s ILE 58 Ca -0.02 -0.91 -0.08 0.00 -0.00 0.00 0.00 60.65 59.65 2g1e s ILE 58 Cb -0.18 -1.64 -0.04 0.00 -0.00 0.00 0.00 42.46 40.60 2g1e s ILE 58 CO -0.02 0.52 0.08 -0.76 -0.00 0.00 0.00 174.94 174.76 2g1e s LEU 59 N 0.48 3.63 -0.21 0.37 1.43 -0.95 -3.96 118.68 119.47 2g1e s LEU 59 Ca -0.16 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 2g1e s LEU 59 Cb -0.17 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2g1e s LEU 59 CO 0.06 0.02 0.12 0.54 0.23 0.00 0.00 176.35 177.32 2g1e s VAL 60 N 1.28 5.15 -0.95 -1.59 0.11 -0.59 -1.53 120.40 122.29 2g1e s VAL 60 Ca 0.05 0.10 -0.00 0.00 -2.93 0.00 0.00 61.98 59.20 2g1e s VAL 60 Cb -0.15 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 2g1e s VAL 60 CO 0.04 0.40 0.00 -3.20 -3.33 0.00 0.00 175.10 169.02 2g1e n ASN 61 N 3.90 -3.61 -2.10 3.54 5.15 0.83 -2.14 115.26 120.84 2g1e n ASN 61 Ca -0.16 0.22 -0.05 0.00 -0.60 0.00 0.00 54.58 54.00 2g1e n ASN 61 Cb 0.52 -3.08 0.02 0.00 -0.53 0.00 0.00 39.78 36.71 2g1e n ASN 61 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2g1e n GLY 62 N -0.78 0.10 3.65 8.20 0.00 -1.26 -5.01 105.19 110.09 2g1e n GLY 62 Ca -0.13 0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 2g1e n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2g1e s ASN 63 N -3.04 -0.04 0.20 1.61 2.47 -0.91 -5.14 114.94 110.09 2g1e s ASN 63 Ca 0.14 0.07 -0.31 0.00 0.42 0.00 0.00 52.86 53.19 2g1e s ASN 63 Cb -0.02 0.23 -0.10 0.00 -1.45 0.00 0.00 41.25 39.91 2g1e s ASN 63 CO 0.26 -0.01 1.53 0.54 -3.72 0.00 0.00 177.10 175.69 2g1e s ASN 64 N 0.18 6.58 0.21 -4.21 2.20 -1.26 -1.53 114.94 117.11 2g1e s ASN 64 Ca 0.05 2.67 0.09 0.00 -0.94 0.00 0.00 52.86 54.73 2g1e s ASN 64 Cb -0.05 -2.61 0.11 0.00 -2.00 0.00 0.00 41.25 36.71 2g1e s ASN 64 CO -0.15 -0.79 1.47 0.16 -2.94 0.00 0.00 177.10 174.84 2g1e h ILE 65 N 3.80 1.55 -0.40 0.54 3.07 -1.83 -3.15 117.51 121.09 2g1e h ILE 65 Ca -0.44 -2.68 0.12 0.00 1.55 0.00 0.00 64.86 63.41 2g1e h ILE 65 Cb 1.21 2.45 -0.02 0.00 -0.27 0.00 0.00 36.82 40.19 2g1e h ILE 65 CO 0.86 0.76 0.40 0.71 -1.05 0.00 0.00 178.15 179.83 2g1e h THR 66 N 0.00 0.44 -0.75 0.16 1.35 -1.90 0.24 112.91 112.45 2g1e h THR 66 Ca -0.01 0.00 -0.42 0.00 -0.55 0.00 0.00 66.41 65.43 2g1e h THR 66 Cb 1.39 0.69 -0.23 0.00 -1.73 0.00 0.00 68.15 68.27 2g1e h THR 66 CO 0.10 0.00 0.54 -0.24 -0.25 0.00 0.00 175.52 175.67 2g1e n SER 67 N -3.83 4.44 0.00 5.36 2.88 -1.19 -4.69 113.62 116.59 2g1e n SER 67 Ca 0.07 -3.27 0.00 0.00 -1.33 0.00 0.00 58.87 54.34 2g1e n SER 67 Cb 0.57 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2g1e n SER 67 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2g1e n MET 68 N -0.64 0.00 -4.35 -1.46 0.00 0.62 -5.06 117.12 106.24 2g1e n MET 68 Ca 0.46 0.00 -0.18 0.00 -0.00 0.00 0.00 57.70 57.98 2g1e n MET 68 Cb 1.20 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 34.32 2g1e n MET 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2g1e s LYS 69 N 0.00 1.35 0.00 2.12 2.47 0.00 -5.08 119.74 120.60 2g1e s LYS 69 Ca 0.00 -1.65 0.00 0.00 -1.56 0.00 0.00 55.97 52.76 2g1e s LYS 69 Cb 0.00 -0.88 0.00 0.00 -1.46 0.00 0.00 37.83 35.49 2g1e s LYS 69 CO 0.00 0.04 0.00 0.41 0.16 0.00 0.00 175.35 175.96 2g1e n GLY 70 N -0.42 -0.13 0.19 5.54 0.00 -1.26 -3.88 105.19 105.23 2g1e n GLY 70 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.06 2g1e n GLY 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2g1e h LEU 71 N 0.00 0.00 -1.41 0.99 4.07 -1.98 -3.18 115.31 113.80 2g1e h LEU 71 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2g1e h LEU 71 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2g1e h LEU 71 CO 0.00 0.07 0.00 -0.67 -1.08 0.00 0.00 178.44 176.76 2g1e n ASP 72 N -3.02 2.06 -4.70 -0.43 2.03 -1.26 -3.01 116.55 108.22 2g1e n ASP 72 Ca 0.03 -2.02 -0.42 0.00 0.52 0.00 0.00 54.79 52.90 2g1e n ASP 72 Cb 0.57 -0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.67 2g1e n ASP 72 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2g1e s THR 73 N -1.52 2.44 0.32 5.18 2.01 -1.20 -4.89 115.64 117.98 2g1e s THR 73 Ca 0.25 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.42 2g1e s THR 73 Cb 0.13 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 2g1e s THR 73 CO 0.17 0.00 0.28 -0.70 -0.69 0.00 0.00 174.62 173.68 2g1e s GLU 74 N 2.24 2.77 0.13 4.92 2.12 -1.26 -1.05 118.70 128.57 2g1e s GLU 74 Ca 0.78 -1.24 0.04 0.00 0.36 0.00 0.00 54.97 54.91 2g1e s GLU 74 Cb -0.46 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 2g1e s GLU 74 CO 0.35 0.15 0.14 0.42 -0.54 0.00 0.00 175.26 175.78 2g1e s ILE 75 N -2.27 4.67 0.83 -3.70 1.01 -1.25 -4.92 121.20 115.57 2g1e s ILE 75 Ca 0.40 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 2g1e s ILE 75 Cb -0.06 -3.34 0.13 0.00 0.01 0.00 0.00 42.46 39.19 2g1e s ILE 75 CO 0.26 -0.02 1.17 -0.54 0.00 0.00 0.00 174.94 175.81 2g1e s LYS 76 N -2.87 1.47 0.56 2.79 -0.14 -1.26 -4.90 119.74 115.39 2g1e s LYS 76 Ca 0.31 -0.34 0.28 0.00 -1.36 0.00 0.00 55.97 54.86 2g1e s LYS 76 Cb -0.11 -2.01 1.48 0.00 -1.68 0.00 0.00 37.83 35.50 2g1e s LYS 76 CO 0.24 -1.80 1.95 -0.44 -0.76 0.00 0.00 175.35 174.54 2g1e h ASP 77 N -1.10 0.00 -0.81 2.83 3.32 -2.03 -0.07 116.42 118.56 2g1e h ASP 77 Ca -0.44 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.64 2g1e h ASP 77 Cb 1.28 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.78 2g1e h ASP 77 CO 0.50 0.00 0.52 0.44 -1.72 0.00 0.00 179.24 178.99 2g1e h ASP 78 N 0.00 0.87 -4.82 6.45 5.19 -1.98 -3.48 116.42 118.65 2g1e h ASP 78 Ca 0.24 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 2g1e h ASP 78 Cb 1.11 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.43 2g1e h ASP 78 CO -0.00 0.60 -0.43 0.47 -3.12 0.00 0.00 179.24 176.76 2g1e n ASP 79 N -4.57 -6.79 -3.68 6.45 8.00 -0.04 -4.78 116.55 111.13 2g1e n ASP 79 Ca 0.09 0.48 -0.12 0.00 0.71 0.00 0.00 54.79 55.96 2g1e n ASP 79 Cb 0.08 -4.53 -0.12 0.00 -0.02 0.00 0.00 41.12 36.52 2g1e n ASP 79 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2g1e s LYS 80 N -2.23 0.23 -0.01 -1.24 2.20 -1.26 -1.90 119.74 115.53 2g1e s LYS 80 Ca 0.19 0.74 0.06 0.00 -0.36 0.00 0.00 55.97 56.60 2g1e s LYS 80 Cb -0.05 0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.25 2g1e s LYS 80 CO 0.62 -0.23 -0.20 0.42 -0.36 0.00 0.00 175.35 175.60 2g1e s ILE 81 N 1.99 1.60 -0.07 5.43 1.01 -0.98 -0.12 121.20 130.05 2g1e s ILE 81 Ca -0.04 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.78 2g1e s ILE 81 Cb -0.11 -1.33 -0.00 0.00 0.01 0.00 0.00 42.46 41.02 2g1e s ILE 81 CO -0.10 0.44 -0.22 -1.81 0.00 0.00 0.00 174.94 173.25 2g1e s ASP 82 N -0.50 2.79 -0.28 3.58 1.01 -0.58 -0.33 116.67 122.36 2g1e s ASP 82 Ca 0.08 -0.48 -0.04 0.00 0.71 0.00 0.00 52.55 52.82 2g1e s ASP 82 Cb -0.08 -0.99 0.02 0.00 1.01 0.00 0.00 42.92 42.88 2g1e s ASP 82 CO -0.01 0.18 0.01 -0.76 0.21 0.00 0.00 175.17 174.80 2g1e s LEU 83 N 0.12 3.56 0.09 1.23 1.43 -0.92 -2.24 118.68 121.95 2g1e s LEU 83 Ca -0.10 -0.85 0.10 0.00 -1.03 0.00 0.00 54.13 52.25 2g1e s LEU 83 Cb -0.15 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 2g1e s LEU 83 CO 0.05 -0.17 -0.27 -0.36 0.23 0.00 0.00 176.35 175.83 2g1e s PHE 84 N 1.39 2.31 0.06 0.29 0.40 -1.02 -1.90 117.98 119.51 2g1e s PHE 84 Ca 0.01 -0.40 -0.31 0.00 -0.60 0.00 0.00 56.93 55.63 2g1e s PHE 84 Cb -0.17 -1.31 -0.07 0.00 0.51 0.00 0.00 43.02 41.98 2g1e s PHE 84 CO -0.01 0.24 1.40 -1.25 0.70 0.00 0.00 175.22 176.30 2g1e s PRO 85 N -1.69 4.31 0.59 0.24 0.04 -1.26 -3.70 135.00 133.53 2g1e s PRO 85 Ca 0.13 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 2g1e s PRO 85 Cb -0.10 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 2g1e s PRO 85 CO 0.04 -0.50 1.12 -1.25 0.04 0.00 0.00 177.00 176.45 2g1e s PRO 86 N 1.69 3.13 0.54 0.56 0.04 -1.26 -4.84 135.00 134.86 2g1e s PRO 86 Ca 0.64 1.52 0.25 0.00 0.04 0.00 0.00 61.00 63.45 2g1e s PRO 86 Cb -0.34 -1.98 1.41 0.00 0.04 0.00 0.00 34.50 33.62 2g1e s PRO 86 CO 0.29 -1.01 2.02 -0.39 0.04 0.00 0.00 177.00 177.95 2g1e h VAL 87 N 0.72 0.73 0.00 -0.36 -1.51 -1.95 0.16 116.25 114.03 2g1e h VAL 87 Ca -0.49 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 64.85 2g1e h VAL 87 Cb 1.25 0.77 -0.02 0.00 -2.13 0.00 0.00 31.29 31.17 2g1e h VAL 87 CO 0.56 0.00 -0.62 0.00 -1.23 0.00 0.00 177.57 176.28 2g1e h ALA 88 N 1.76 0.79 -3.00 5.19 0.00 -1.91 -3.45 119.26 118.64 2g1e h ALA 88 Ca 0.21 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2g1e h ALA 88 Cb 0.86 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2g1e h ALA 88 CO -0.00 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.43 2g1e n GLY 89 N 0.64 -2.01 0.00 0.00 0.00 0.56 -4.76 105.19 99.62 2g1e n GLY 89 Ca -0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2g1e n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93