#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 2.08 -0.03 2.03 -7.23 -0.23 -4.81 120.40 112.21 2g1e s VAL 2 Ca 0.00 -1.03 -0.20 0.00 -1.81 0.00 0.00 61.98 58.95 2g1e s VAL 2 Cb 0.00 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 2g1e s VAL 2 CO 0.00 0.56 0.56 0.42 -0.31 0.00 0.00 175.10 176.33 2g1e s THR 3 N 0.17 4.97 -0.03 5.32 -4.23 -0.66 -0.97 115.64 120.21 2g1e s THR 3 Ca -0.14 1.16 0.06 0.00 -1.18 0.00 0.00 61.69 61.60 2g1e s THR 3 Cb -0.17 -3.89 -0.01 0.00 1.34 0.00 0.00 72.50 69.77 2g1e s THR 3 CO 0.07 0.41 -0.20 0.54 -0.54 0.00 0.00 174.62 174.90 2g1e s VAL 4 N -0.10 1.61 0.10 2.29 0.11 -0.10 -0.03 120.40 124.28 2g1e s VAL 4 Ca 0.30 -0.86 0.07 0.00 -2.93 0.00 0.00 61.98 58.56 2g1e s VAL 4 Cb -0.18 -1.35 -0.04 0.00 -1.53 0.00 0.00 36.38 33.29 2g1e s VAL 4 CO 0.16 0.46 -0.09 -0.13 -3.33 0.00 0.00 175.10 172.16 2g1e s ARG 5 N -0.34 2.17 -0.10 1.54 0.52 0.92 -2.42 118.95 121.24 2g1e s ARG 5 Ca 0.04 -1.01 0.04 0.00 -0.52 0.00 0.00 55.73 54.28 2g1e s ARG 5 Cb -0.09 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 33.05 2g1e s ARG 5 CO 0.00 0.51 -0.22 0.71 0.02 0.00 0.00 175.30 176.32 2g1e s TYR 6 N -1.23 2.42 0.00 -0.53 2.02 -1.00 -1.85 117.35 117.19 2g1e s TYR 6 Ca 0.22 -1.01 0.00 0.00 -0.37 0.00 0.00 57.07 55.91 2g1e s TYR 6 Cb -0.11 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 2g1e s TYR 6 CO 0.14 -0.42 0.00 0.66 -1.57 0.00 0.00 175.55 174.36 2g1e n TYR 7 N 3.61 0.00 0.00 2.71 4.01 -0.74 -4.76 117.16 121.99 2g1e n TYR 7 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 2g1e n TYR 7 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 2g1e n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2g1e n ALA 8 N -1.77 0.00 0.20 -0.72 0.00 -1.12 -4.70 120.51 112.40 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 0.15 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.49 1.55 0.12 0.00 -2.24 -1.26 -2.05 114.28 109.90 2g1e n THR 9 Ca 0.00 0.41 0.02 0.00 -2.27 0.00 0.00 64.05 62.22 2g1e n THR 9 Cb 0.00 -1.32 0.38 0.00 -2.10 0.00 0.00 70.33 67.29 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 0.22 0.30 3.22 6.46 -1.95 -2.59 115.31 120.98 2g1e h LEU 10 Ca 0.00 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 2g1e h LEU 10 Cb 0.10 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 2g1e h LEU 10 CO 0.00 0.39 -0.40 0.03 -0.62 0.00 0.00 178.44 177.84 2g1e h ARG 11 N 0.22 -0.71 0.00 1.25 3.08 -1.69 -0.84 114.38 115.69 2g1e h ARG 11 Ca 0.04 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2g1e h ARG 11 Cb 0.39 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2g1e h ARG 11 CO 0.02 -0.47 0.00 -0.35 -1.07 0.00 0.00 179.97 178.10 2g1e n PRO 12 N -4.82 0.11 0.03 0.04 -0.04 -1.20 -0.08 135.00 129.04 2g1e n PRO 12 Ca -0.09 0.20 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 2g1e n PRO 12 Cb 0.35 -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 1.12 0.00 0.52 2.04 -0.89 -3.36 117.51 116.94 2g1e h ILE 13 Ca 0.00 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 63.00 2g1e h ILE 13 Cb 0.19 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 2g1e h ILE 13 CO 0.00 0.74 -0.91 0.35 0.00 0.00 0.00 178.15 178.32 2g1e n THR 14 N -3.28 0.00 -2.15 -0.27 -2.24 -0.42 -4.99 114.28 100.93 2g1e n THR 14 Ca -0.14 -0.23 -0.17 0.00 -2.27 0.00 0.00 64.05 61.23 2g1e n THR 14 Cb 1.03 0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 69.98 2g1e n THR 14 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2g1e n LYS 15 N -1.51 -1.32 -4.61 -0.78 4.81 0.88 -4.98 118.16 110.65 2g1e n LYS 15 Ca 0.01 0.88 -0.29 0.00 -0.87 0.00 0.00 58.31 58.04 2g1e n LYS 15 Cb 0.24 -5.28 -0.07 0.00 0.02 0.00 0.00 35.03 29.93 2g1e n LYS 15 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2g1e s LYS 16 N -4.55 2.07 0.00 1.64 3.01 -1.20 -5.05 119.74 115.66 2g1e s LYS 16 Ca 0.00 -2.30 0.00 0.00 -1.01 0.00 0.00 55.97 52.66 2g1e s LYS 16 Cb 0.00 -0.85 0.00 0.00 -1.01 0.00 0.00 37.83 35.97 2g1e s LYS 16 CO 0.00 -0.50 0.00 1.17 0.51 0.00 0.00 175.35 176.53 2g1e n LYS 17 N -1.07 0.00 -3.76 1.68 4.81 -1.26 -4.75 118.16 113.81 2g1e n LYS 17 Ca -0.11 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.20 2g1e n LYS 17 Cb 0.65 -0.50 -0.09 0.00 0.02 0.00 0.00 35.03 35.11 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 -2.00 0.57 0.15 1.64 2.12 -1.26 -2.36 118.70 117.56 2g1e s GLU 18 Ca 0.00 0.02 -0.14 0.00 0.36 0.00 0.00 54.97 55.21 2g1e s GLU 18 Cb 0.00 0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.66 2g1e s GLU 18 CO 0.00 -0.14 0.38 -2.00 -0.54 0.00 0.00 175.26 172.97 2g1e s GLU 19 N -0.83 1.16 0.21 4.30 2.56 -1.02 -5.00 118.70 120.08 2g1e s GLU 19 Ca -0.09 -0.91 0.07 0.00 0.00 0.00 0.00 54.97 54.04 2g1e s GLU 19 Cb -0.04 0.45 -0.04 0.00 2.00 0.00 0.00 34.13 36.49 2g1e s GLU 19 CO 0.03 -0.45 0.05 0.95 -0.56 0.00 0.00 175.26 175.28 2g1e s THR 20 N -3.88 3.91 0.13 -1.70 -4.23 -1.26 -0.92 115.64 107.68 2g1e s THR 20 Ca 0.09 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 2g1e s THR 20 Cb 0.02 -3.02 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 2g1e s THR 20 CO -0.06 -0.21 0.01 -0.36 -0.54 0.00 0.00 174.62 173.45 2g1e s PHE 21 N -1.94 0.94 -0.02 3.99 0.08 -0.15 -4.92 117.98 115.97 2g1e s PHE 21 Ca 0.30 -1.09 0.01 0.00 0.12 0.00 0.00 56.93 56.27 2g1e s PHE 21 Cb -0.08 -0.55 0.01 0.00 -0.57 0.00 0.00 43.02 41.83 2g1e s PHE 21 CO 0.21 -0.34 -0.02 0.54 -0.10 0.00 0.00 175.22 175.51 2g1e s ASN 22 N -3.07 0.45 0.00 1.36 2.20 -1.26 -1.07 114.94 113.54 2g1e s ASN 22 Ca 0.20 -0.05 0.00 0.00 -0.94 0.00 0.00 52.86 52.07 2g1e s ASN 22 Cb 0.07 -0.15 0.00 0.00 -2.00 0.00 0.00 41.25 39.17 2g1e s ASN 22 CO -0.00 -0.02 0.00 0.61 -2.94 0.00 0.00 177.10 174.75 2g1e n GLY 23 N 3.53 0.58 3.34 0.45 0.00 -1.26 -5.08 105.19 106.76 2g1e n GLY 23 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 3.01 0.00 -0.61 1.01 -1.26 -4.95 121.20 116.40 2g1e s ILE 24 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.99 2g1e s ILE 24 Cb 0.00 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.19 2g1e s ILE 24 CO 0.00 0.51 0.52 -1.20 0.00 0.00 0.00 174.94 174.77 2g1e n SER 25 N 3.78 0.33 -4.05 3.58 7.64 -1.26 -4.81 113.62 118.83 2g1e n SER 25 Ca -0.18 -1.15 -0.07 0.00 1.01 0.00 0.00 58.87 58.47 2g1e n SER 25 Cb 0.52 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 2g1e n SER 25 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2g1e s LYS 26 N -0.15 0.58 0.12 1.43 -0.14 -1.26 -3.75 119.74 116.57 2g1e s LYS 26 Ca 0.00 -1.10 -0.12 0.00 -1.36 0.00 0.00 55.97 53.39 2g1e s LYS 26 Cb 0.00 0.20 -0.09 0.00 -1.68 0.00 0.00 37.83 36.27 2g1e s LYS 26 CO 0.00 -0.11 1.41 0.82 -0.76 0.00 0.00 175.35 176.71 2g1e h ILE 27 N 3.35 1.28 0.18 2.17 1.08 -1.43 -1.71 117.51 122.43 2g1e h ILE 27 Ca -0.34 -1.67 0.01 0.00 -0.39 0.00 0.00 64.86 62.47 2g1e h ILE 27 Cb 1.15 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.49 2g1e h ILE 27 CO 0.61 0.55 -0.21 -1.28 -0.69 0.00 0.00 178.15 177.14 2g1e h SER 28 N 0.64 -0.56 -0.31 1.72 0.87 -1.33 0.64 113.55 115.23 2g1e h SER 28 Ca 0.02 0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 2g1e h SER 28 Cb 1.10 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.24 2g1e h SER 28 CO 0.11 -0.30 -0.04 -0.33 -0.53 0.00 0.00 176.83 175.74 2g1e h GLU 29 N -0.43 0.69 0.11 2.24 4.39 -1.84 -2.84 114.58 116.91 2g1e h GLU 29 Ca 0.01 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 2g1e h GLU 29 Cb 0.41 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2g1e h GLU 29 CO -0.07 0.74 -0.05 1.25 -1.16 0.00 0.00 179.01 179.72 2g1e h LEU 30 N 0.64 -0.13 -0.27 1.33 7.12 -0.87 -2.35 115.31 120.79 2g1e h LEU 30 Ca 0.12 -0.07 0.06 0.00 0.13 0.00 0.00 57.88 58.12 2g1e h LEU 30 Cb 0.47 0.03 -0.06 0.00 -0.53 0.00 0.00 40.66 40.57 2g1e h LEU 30 CO 0.02 -0.01 -0.13 -0.07 -0.13 0.00 0.00 178.44 178.13 2g1e h LEU 31 N -0.24 -0.43 -1.55 2.25 -0.00 -0.79 -0.27 115.31 114.28 2g1e h LEU 31 Ca -0.02 0.10 0.14 0.00 -0.00 0.00 0.00 57.88 58.11 2g1e h LEU 31 Cb 0.19 0.24 -0.05 0.00 -0.00 0.00 0.00 40.66 41.04 2g1e h LEU 31 CO 0.02 -0.16 0.50 -0.33 -0.00 0.00 0.00 178.44 178.47 2g1e h GLU 32 N -0.09 0.44 -0.01 1.13 4.39 -1.41 0.14 114.58 119.18 2g1e h GLU 32 Ca 0.14 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 2g1e h GLU 32 Cb 0.31 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2g1e h GLU 32 CO -0.33 0.29 -0.48 0.00 -1.16 0.00 0.00 179.01 177.34 2g1e h ARG 33 N 0.46 0.02 -0.08 2.33 2.47 -0.52 -2.66 114.38 116.40 2g1e h ARG 33 Ca 0.36 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 59.04 2g1e h ARG 33 Cb 0.76 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.08 2g1e h ARG 33 CO -0.12 0.50 -0.07 -0.07 0.56 0.00 0.00 179.97 180.77 2g1e h LEU 34 N 0.02 0.20 -1.04 3.04 3.38 0.04 0.30 115.31 121.25 2g1e h LEU 34 Ca -0.00 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.51 2g1e h LEU 34 Cb 0.86 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 2g1e h LEU 34 CO 0.06 0.62 0.64 0.50 0.09 0.00 0.00 178.44 180.35 2g1e h LYS 35 N -0.22 1.28 0.15 1.13 3.64 -1.41 0.28 116.57 121.41 2g1e h LYS 35 Ca 0.01 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2g1e h LYS 35 Cb 0.56 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2g1e h LYS 35 CO 0.02 0.85 -0.07 0.28 -2.27 0.00 0.00 179.45 178.26 2g1e h VAL 36 N 1.31 0.53 -0.18 2.00 2.07 -1.45 0.28 116.25 120.81 2g1e h VAL 36 Ca 0.35 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.79 2g1e h VAL 36 Cb -0.14 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 2g1e h VAL 36 CO -0.08 0.16 -0.12 -0.08 0.02 0.00 0.00 177.57 177.47 2g1e h GLU 37 N -0.98 -0.11 0.00 1.57 4.22 -0.38 -1.39 114.58 117.50 2g1e h GLU 37 Ca -0.02 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2g1e h GLU 37 Cb 0.41 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2g1e h GLU 37 CO 0.03 -0.08 0.00 1.88 -2.18 0.00 0.00 179.01 178.67 2g1e h TYR 38 N -0.12 0.00 0.00 0.92 0.05 -0.59 -3.50 116.97 113.74 2g1e h TYR 38 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2g1e h TYR 38 Cb 0.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.02 2g1e h TYR 38 CO -0.27 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.25 2g1e n GLY 39 N 0.87 -1.91 0.13 3.88 0.00 0.98 -4.12 105.19 105.01 2g1e n GLY 39 Ca 0.03 -1.53 -0.02 0.00 0.00 0.00 0.00 46.02 44.50 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 0.01 -1.01 1.61 4.64 -1.88 -3.16 113.55 113.76 2g1e h SER 40 Ca 0.00 -0.01 0.24 0.00 -0.47 0.00 0.00 61.79 61.55 2g1e h SER 40 Cb 0.00 -0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 2g1e h SER 40 CO 0.00 0.69 0.64 -0.08 -0.87 0.00 0.00 176.83 177.20 2g1e h GLU 41 N 0.01 0.48 -0.01 4.77 4.81 -1.91 0.37 114.58 123.10 2g1e h GLU 41 Ca -0.01 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 58.99 2g1e h GLU 41 Cb 1.20 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2g1e h GLU 41 CO 0.09 0.32 -0.86 0.35 -0.73 0.00 0.00 179.01 178.18 2g1e h PHE 42 N 0.50 0.41 -0.18 0.92 3.57 -1.70 -1.45 116.94 119.00 2g1e h PHE 42 Ca 0.58 -0.21 -0.10 0.00 3.53 0.00 0.00 57.97 61.77 2g1e h PHE 42 Cb 1.30 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 2g1e h PHE 42 CO -0.00 1.01 -0.27 1.15 -2.23 0.00 0.00 178.31 177.97 2g1e h THR 43 N 0.16 1.34 -0.14 4.41 2.02 -0.53 -1.62 112.91 118.56 2g1e h THR 43 Ca -0.05 -1.49 -0.17 0.00 0.77 0.00 0.00 66.41 65.48 2g1e h THR 43 Cb 1.47 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.75 2g1e h THR 43 CO 0.14 0.45 -0.61 0.11 0.37 0.00 0.00 175.52 175.97 2g1e h LYS 44 N 0.15 0.48 0.00 6.66 1.79 -0.66 0.28 116.57 125.27 2g1e h LYS 44 Ca 0.02 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 58.15 2g1e h LYS 44 Cb 0.84 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.54 2g1e h LYS 44 CO 0.06 0.95 -0.05 1.96 -1.08 0.00 0.00 179.45 181.29 2g1e h GLN 45 N 0.36 0.00 0.01 3.15 1.08 -1.27 -3.18 115.11 115.26 2g1e h GLN 45 Ca -0.01 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.83 2g1e h GLN 45 Cb 1.16 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.53 2g1e h GLN 45 CO 0.11 0.05 -2.27 -1.33 -0.95 0.00 0.00 178.83 174.44 2g1e n MET 46 N -3.14 0.68 -1.76 1.46 2.81 -0.61 -4.86 117.12 111.70 2g1e n MET 46 Ca 0.01 0.10 -0.39 0.00 -1.81 0.00 0.00 57.70 55.62 2g1e n MET 46 Cb 0.39 -1.58 -0.03 0.00 -0.71 0.00 0.00 33.22 31.29 2g1e n MET 46 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2g1e s TYR 47 N -2.52 1.34 -0.53 2.03 1.51 0.97 -4.88 117.35 115.28 2g1e s TYR 47 Ca -0.16 1.09 0.03 0.00 -1.01 0.00 0.00 57.07 57.02 2g1e s TYR 47 Cb 0.07 -3.84 0.13 0.00 -0.11 0.00 0.00 41.96 38.21 2g1e s TYR 47 CO 0.77 -2.74 0.28 0.16 -1.11 0.00 0.00 175.55 172.91 2g1e s ASP 48 N 9.72 4.40 0.00 2.29 1.47 -1.26 -4.92 116.67 128.38 2g1e s ASP 48 Ca 0.87 -3.01 0.00 0.00 1.18 0.00 0.00 52.55 51.59 2g1e s ASP 48 Cb -0.19 -1.66 0.00 0.00 -0.34 0.00 0.00 42.92 40.73 2g1e s ASP 48 CO 0.27 -0.24 0.00 0.61 0.68 0.00 0.00 175.17 176.49 2g1e n GLY 49 N 3.13 1.81 1.52 2.12 0.00 -1.26 -4.72 105.19 107.78 2g1e n GLY 49 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2g1e n GLY 49 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2g1e n ASN 50 N 0.05 0.12 -4.63 1.61 4.13 -1.26 -5.12 115.26 110.16 2g1e n ASN 50 Ca 0.00 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.02 2g1e n ASN 50 Cb 0.00 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.16 2g1e n ASN 50 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2g1e s ASN 51 N -4.86 4.28 0.02 6.41 -0.87 -1.26 -5.08 114.94 113.58 2g1e s ASN 51 Ca 0.00 -0.88 0.00 0.00 -1.57 0.00 0.00 52.86 50.41 2g1e s ASN 51 Cb 0.00 -0.62 0.00 0.00 -0.02 0.00 0.00 41.25 40.61 2g1e s ASN 51 CO 0.00 -0.16 0.00 -0.11 -2.57 0.00 0.00 177.10 174.26 2g1e n LEU 52 N -0.93 0.13 -0.04 0.60 7.94 -1.26 -4.26 117.00 119.18 2g1e n LEU 52 Ca -0.05 0.03 0.22 0.00 -1.11 0.00 0.00 56.01 55.11 2g1e n LEU 52 Cb 0.61 -0.03 0.70 0.00 0.53 0.00 0.00 43.42 45.23 2g1e n LEU 52 CO 0.42 -0.54 1.20 -0.26 -1.11 0.00 0.00 177.39 177.10 2g1e h PHE 53 N 0.00 0.00 0.00 1.96 0.04 -1.95 0.54 116.94 117.52 2g1e h PHE 53 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2g1e h PHE 53 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2g1e h PHE 53 CO 0.00 0.00 -0.01 -0.22 -0.60 0.00 0.00 178.31 177.48 2g1e h LYS 54 N 0.00 0.00 0.00 1.51 3.64 -2.01 -2.81 116.57 116.90 2g1e h LYS 54 Ca 0.29 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 2g1e h LYS 54 Cb 1.18 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2g1e h LYS 54 CO -0.00 0.01 -1.17 0.09 -2.27 0.00 0.00 179.45 176.11 2g1e n ASN 55 N -3.29 4.21 -4.52 4.20 4.13 0.12 -5.05 115.26 115.06 2g1e n ASN 55 Ca -0.02 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.81 2g1e n ASN 55 Cb 0.12 1.07 0.00 0.00 -1.54 0.00 0.00 39.78 39.43 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 -1.70 2.04 -3.97 2.41 3.14 0.14 -4.49 118.33 115.91 2g1e n VAL 56 Ca -0.01 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.56 2g1e n VAL 56 Cb 0.17 -0.77 -0.16 0.00 -1.06 0.00 0.00 33.84 32.02 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 -1.29 1.62 -0.05 1.55 2.07 -1.26 -4.96 121.20 118.87 2g1e s ILE 57 Ca 0.62 -1.19 0.06 0.00 -1.41 0.00 0.00 60.65 58.73 2g1e s ILE 57 Cb -0.63 -1.81 -0.01 0.00 0.13 0.00 0.00 42.46 40.13 2g1e s ILE 57 CO 0.58 -0.01 -0.23 0.27 -1.91 0.00 0.00 174.94 173.63 2g1e s ILE 58 N 1.37 1.91 -0.24 2.00 -0.00 -1.26 -2.44 121.20 122.55 2g1e s ILE 58 Ca -0.05 -0.99 -0.08 0.00 -0.00 0.00 0.00 60.65 59.53 2g1e s ILE 58 Cb -0.18 -1.62 -0.03 0.00 -0.00 0.00 0.00 42.46 40.63 2g1e s ILE 58 CO -0.07 0.54 0.08 -0.76 -0.00 0.00 0.00 174.94 174.73 2g1e s LEU 59 N -0.16 3.59 -0.19 0.37 1.43 -0.99 -3.87 118.68 118.86 2g1e s LEU 59 Ca -0.02 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 2g1e s LEU 59 Cb -0.13 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 2g1e s LEU 59 CO 0.03 0.02 0.20 0.68 0.23 0.00 0.00 176.35 177.50 2g1e s VAL 60 N 1.32 5.36 -0.98 -1.59 -7.23 0.30 -1.94 120.40 115.65 2g1e s VAL 60 Ca 0.05 0.34 -0.03 0.00 -1.81 0.00 0.00 61.98 60.53 2g1e s VAL 60 Cb -0.15 -3.54 0.02 0.00 0.56 0.00 0.00 36.38 33.27 2g1e s VAL 60 CO 0.04 0.41 0.13 -3.20 -0.31 0.00 0.00 175.10 172.17 2g1e n ASN 61 N 3.64 -3.48 -2.01 4.85 4.05 -0.08 -1.93 115.26 120.31 2g1e n ASN 61 Ca -0.14 0.08 -0.05 0.00 0.45 0.00 0.00 54.58 54.92 2g1e n ASN 61 Cb 0.52 -2.95 0.02 0.00 1.23 0.00 0.00 39.78 38.60 2g1e n ASN 61 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2g1e n GLY 62 N -0.86 0.25 3.62 8.20 0.00 -1.26 -5.04 105.19 110.09 2g1e n GLY 62 Ca -0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.17 -0.12 0.12 1.61 2.47 -0.81 -5.14 114.94 109.91 2g1e s ASN 63 Ca 0.13 0.06 -0.30 0.00 0.42 0.00 0.00 52.86 53.17 2g1e s ASN 63 Cb -0.02 0.11 -0.07 0.00 -1.45 0.00 0.00 41.25 39.83 2g1e s ASN 63 CO 0.23 -0.15 1.16 0.54 -3.72 0.00 0.00 177.10 175.16 2g1e s ASN 64 N -1.62 7.15 0.27 -4.21 4.22 -1.26 -0.53 114.94 118.96 2g1e s ASN 64 Ca 0.08 2.06 0.13 0.00 -2.14 0.00 0.00 52.86 53.00 2g1e s ASN 64 Cb -0.01 -2.59 0.27 0.00 1.28 0.00 0.00 41.25 40.20 2g1e s ASN 64 CO -0.05 -0.37 1.54 0.16 -2.04 0.00 0.00 177.10 176.35 2g1e h ILE 65 N 4.14 1.19 -0.26 0.54 3.07 -1.83 -3.14 117.51 121.22 2g1e h ILE 65 Ca -0.43 -2.24 0.08 0.00 1.55 0.00 0.00 64.86 63.82 2g1e h ILE 65 Cb 1.21 2.29 -0.01 0.00 -0.27 0.00 0.00 36.82 40.05 2g1e h ILE 65 CO 0.77 0.59 0.28 0.71 -1.05 0.00 0.00 178.15 179.44 2g1e h THR 66 N 0.00 0.46 0.00 0.16 1.35 -1.89 0.50 112.91 113.49 2g1e h THR 66 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2g1e h THR 66 Cb 1.25 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2g1e h THR 66 CO 0.08 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.11 2g1e n SER 67 N -3.81 0.00 0.00 5.36 2.88 -1.19 -4.52 113.62 112.34 2g1e n SER 67 Ca 0.04 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2g1e n SER 67 Cb 0.42 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 -1.30 0.00 -4.48 -1.46 0.00 0.15 -5.15 117.12 104.88 2g1e n MET 68 Ca 0.09 0.00 -0.23 0.00 -0.00 0.00 0.00 57.70 57.56 2g1e n MET 68 Cb 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.29 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 1.75 -0.06 2.12 2.47 0.15 -5.06 119.74 121.11 2g1e s LYS 69 Ca 0.00 -2.01 -0.07 0.00 -1.56 0.00 0.00 55.97 52.33 2g1e s LYS 69 Cb 0.00 -0.82 -0.02 0.00 -1.46 0.00 0.00 37.83 35.52 2g1e s LYS 69 CO 0.00 -0.28 -0.14 0.41 0.16 0.00 0.00 175.35 175.50 2g1e n GLY 70 N -0.77 -0.41 0.04 5.54 0.00 -1.26 -3.57 105.19 104.76 2g1e n GLY 70 Ca -0.04 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.86 2g1e n GLY 70 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2g1e n LEU 71 N -3.38 0.00 -0.61 0.99 -0.00 -1.26 -4.36 117.00 108.39 2g1e n LEU 71 Ca -0.06 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.01 2g1e n LEU 71 Cb 0.21 0.16 0.14 0.00 -0.00 0.00 0.00 43.42 43.93 2g1e n LEU 71 CO 0.08 0.16 0.62 0.47 -0.00 0.00 0.00 177.39 178.72 2g1e n ASP 72 N -2.25 1.76 -4.76 1.45 8.00 -1.26 -1.04 116.55 118.44 2g1e n ASP 72 Ca -0.12 -2.01 -0.39 0.00 0.71 0.00 0.00 54.79 52.98 2g1e n ASP 72 Cb 0.66 -0.22 0.02 0.00 -0.02 0.00 0.00 41.12 41.55 2g1e n ASP 72 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2g1e s THR 73 N -1.57 2.12 0.30 -3.53 2.01 -1.26 -4.85 115.64 108.86 2g1e s THR 73 Ca 0.22 0.10 0.10 0.00 0.31 0.00 0.00 61.69 62.42 2g1e s THR 73 Cb 0.11 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 2g1e s THR 73 CO 0.15 0.01 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.42 2g1e s GLU 74 N -2.56 2.01 0.13 4.92 2.02 -1.26 -1.49 118.70 122.47 2g1e s GLU 74 Ca 0.64 -1.67 0.05 0.00 0.02 0.00 0.00 54.97 54.00 2g1e s GLU 74 Cb -0.42 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 2g1e s GLU 74 CO 0.53 0.25 0.08 0.42 0.02 0.00 0.00 175.26 176.57 2g1e s ILE 75 N -2.47 4.33 0.93 -1.63 1.01 -1.25 -4.94 121.20 117.19 2g1e s ILE 75 Ca 0.32 -1.03 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 2g1e s ILE 75 Cb -0.03 -3.15 0.16 0.00 0.01 0.00 0.00 42.46 39.45 2g1e s ILE 75 CO 0.18 -0.02 1.22 -0.54 0.00 0.00 0.00 174.94 175.79 2g1e s LYS 76 N -2.78 0.92 0.53 2.79 -0.14 -1.26 -4.86 119.74 114.93 2g1e s LYS 76 Ca 0.29 -0.09 0.28 0.00 -1.36 0.00 0.00 55.97 55.09 2g1e s LYS 76 Cb -0.11 -1.85 1.42 0.00 -1.68 0.00 0.00 37.83 35.62 2g1e s LYS 76 CO 0.22 -2.27 1.93 0.22 -0.76 0.00 0.00 175.35 174.68 2g1e h ASP 77 N -1.55 0.03 -0.81 2.83 3.58 -2.03 0.42 116.42 118.89 2g1e h ASP 77 Ca -0.46 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.02 2g1e h ASP 77 Cb 1.29 -0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.29 2g1e h ASP 77 CO 0.50 0.01 0.52 -0.78 -2.88 0.00 0.00 179.24 176.62 2g1e h ASP 78 N 0.03 0.87 -4.81 2.28 3.58 -1.98 -3.48 116.42 112.92 2g1e h ASP 78 Ca 0.37 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.81 2g1e h ASP 78 Cb 1.42 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2g1e h ASP 78 CO -0.02 0.61 -0.51 0.47 -2.88 0.00 0.00 179.24 176.91 2g1e n ASP 79 N -4.57 -6.84 -3.70 2.28 8.00 0.14 -4.78 116.55 107.08 2g1e n ASP 79 Ca 0.09 0.64 -0.12 0.00 0.71 0.00 0.00 54.79 56.11 2g1e n ASP 79 Cb 0.08 -4.55 -0.12 0.00 -0.02 0.00 0.00 41.12 36.50 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 -2.03 0.25 -0.01 -1.24 2.20 -1.26 -1.65 119.74 115.99 2g1e s LYS 80 Ca 0.15 0.69 0.06 0.00 -0.36 0.00 0.00 55.97 56.51 2g1e s LYS 80 Cb -0.04 -0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.23 2g1e s LYS 80 CO 0.63 -0.20 -0.20 0.42 -0.36 0.00 0.00 175.35 175.64 2g1e s ILE 81 N 1.71 1.56 -0.07 5.43 1.01 0.95 -0.90 121.20 130.90 2g1e s ILE 81 Ca -0.06 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.77 2g1e s ILE 81 Cb -0.10 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 2g1e s ILE 81 CO -0.10 0.42 -0.23 -1.81 0.00 0.00 0.00 174.94 173.22 2g1e s ASP 82 N -0.52 2.84 -0.30 3.58 1.01 -0.82 -0.06 116.67 122.41 2g1e s ASP 82 Ca 0.08 -0.48 -0.06 0.00 0.71 0.00 0.00 52.55 52.79 2g1e s ASP 82 Cb -0.08 -0.95 0.01 0.00 1.01 0.00 0.00 42.92 42.91 2g1e s ASP 82 CO -0.01 0.19 0.07 -0.76 0.21 0.00 0.00 175.17 174.88 2g1e s LEU 83 N 0.06 3.85 0.09 1.23 1.43 -0.77 -2.36 118.68 122.21 2g1e s LEU 83 Ca -0.08 -0.75 0.08 0.00 -1.03 0.00 0.00 54.13 52.34 2g1e s LEU 83 Cb -0.15 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2g1e s LEU 83 CO 0.05 -0.20 -0.14 -0.36 0.23 0.00 0.00 176.35 175.93 2g1e s PHE 84 N 1.48 2.64 -0.28 0.29 0.40 -1.02 -1.80 117.98 119.70 2g1e s PHE 84 Ca 0.02 -0.20 -0.29 0.00 -0.60 0.00 0.00 56.93 55.86 2g1e s PHE 84 Cb -0.17 -1.42 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 2g1e s PHE 84 CO 0.02 0.38 1.65 -1.25 0.70 0.00 0.00 175.22 176.72 2g1e s PRO 85 N -2.02 3.62 1.22 0.24 0.04 -1.26 -4.06 135.00 132.78 2g1e s PRO 85 Ca 0.19 1.50 -0.20 0.00 0.04 0.00 0.00 61.00 62.53 2g1e s PRO 85 Cb -0.11 -4.09 0.29 0.00 0.04 0.00 0.00 34.50 30.64 2g1e s PRO 85 CO 0.11 -1.50 1.11 -1.25 0.04 0.00 0.00 177.00 175.50 2g1e s PRO 86 N 5.02 -1.36 0.27 0.56 0.04 -1.26 -4.79 135.00 133.48 2g1e s PRO 86 Ca 0.73 -0.12 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 2g1e s PRO 86 Cb -0.23 -1.58 -0.13 0.00 0.04 0.00 0.00 34.50 32.59 2g1e s PRO 86 CO 0.31 -3.80 1.26 0.28 0.04 0.00 0.00 177.00 175.09 2g1e n VAL 87 N -4.81 1.49 -1.42 -0.36 0.31 -1.26 -0.53 118.33 111.76 2g1e n VAL 87 Ca 0.14 -0.37 -0.14 0.00 -0.01 0.00 0.00 64.34 63.95 2g1e n VAL 87 Cb 0.60 -1.33 -0.06 0.00 -0.91 0.00 0.00 33.84 32.14 2g1e n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2g1e n ALA 88 N 1.01 -0.22 -1.05 3.52 0.00 -1.26 -4.82 120.51 117.69 2g1e n ALA 88 Ca 0.09 0.23 0.08 0.00 0.00 0.00 0.00 53.44 53.85 2g1e n ALA 88 Cb 0.32 -1.78 0.22 0.00 0.00 0.00 0.00 19.45 18.22 2g1e n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g1e n GLY 89 N -0.35 4.33 0.00 0.00 0.00 0.31 -4.71 105.19 104.77 2g1e n GLY 89 Ca -0.14 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2g1e n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93