#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 1.74 -0.14 3.17 0.11 0.72 -4.72 120.40 121.29 2g1e s VAL 2 Ca 0.00 -0.85 -0.12 0.00 -2.93 0.00 0.00 61.98 58.08 2g1e s VAL 2 Cb 0.00 -1.52 -0.05 0.00 -1.53 0.00 0.00 36.38 33.28 2g1e s VAL 2 CO 0.00 0.49 0.26 -0.89 -3.33 0.00 0.00 175.10 171.63 2g1e s THR 3 N 0.35 5.32 0.00 5.04 2.01 -0.74 -0.18 115.64 127.45 2g1e s THR 3 Ca -0.15 0.48 0.08 0.00 0.31 0.00 0.00 61.69 62.41 2g1e s THR 3 Cb -0.16 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 2g1e s THR 3 CO 0.06 0.46 -0.25 0.54 -0.69 0.00 0.00 174.62 174.74 2g1e s VAL 4 N -0.02 2.02 0.14 3.82 0.11 0.55 -1.26 120.40 125.75 2g1e s VAL 4 Ca 0.16 -1.17 0.07 0.00 -2.93 0.00 0.00 61.98 58.11 2g1e s VAL 4 Cb -0.13 -1.69 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 2g1e s VAL 4 CO 0.04 0.49 -0.07 -0.13 -3.33 0.00 0.00 175.10 172.11 2g1e s ARG 5 N -0.80 2.21 -0.09 1.54 3.00 0.31 -2.27 118.95 122.84 2g1e s ARG 5 Ca 0.10 -1.09 0.02 0.00 0.00 0.00 0.00 55.73 54.76 2g1e s ARG 5 Cb -0.10 -2.30 0.01 0.00 0.00 0.00 0.00 34.95 32.57 2g1e s ARG 5 CO 0.00 0.48 -0.16 0.71 0.00 0.00 0.00 175.30 176.33 2g1e s TYR 6 N -1.47 1.95 0.00 -0.53 2.02 -1.22 -1.87 117.35 116.23 2g1e s TYR 6 Ca 0.24 -0.84 0.00 0.00 -0.37 0.00 0.00 57.07 56.10 2g1e s TYR 6 Cb -0.10 -1.38 0.00 0.00 -0.40 0.00 0.00 41.96 40.08 2g1e s TYR 6 CO 0.16 -0.41 0.00 0.66 -1.57 0.00 0.00 175.55 174.39 2g1e n TYR 7 N 3.94 0.00 -0.01 2.71 4.01 -0.86 -4.72 117.16 122.23 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 0.52 0.01 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 -2.00 0.00 0.18 -0.72 0.00 -1.15 -4.66 120.51 112.16 2g1e n ALA 8 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2g1e n ALA 8 Cb 0.23 0.00 0.23 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 -0.86 1.48 -0.05 0.00 -2.24 -1.26 -2.09 114.28 109.26 2g1e n THR 9 Ca 0.00 0.47 0.01 0.00 -2.27 0.00 0.00 64.05 62.25 2g1e n THR 9 Cb 0.00 -1.41 0.30 0.00 -2.10 0.00 0.00 70.33 67.12 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 0.59 0.24 3.22 6.46 -1.95 -2.14 115.31 121.74 2g1e h LEU 10 Ca 0.00 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2g1e h LEU 10 Cb 0.09 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 2g1e h LEU 10 CO 0.00 0.55 -0.39 0.03 -0.62 0.00 0.00 178.44 178.01 2g1e h ARG 11 N 0.64 -0.65 0.00 1.25 3.08 -1.69 -1.02 114.38 116.00 2g1e h ARG 11 Ca 0.15 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2g1e h ARG 11 Cb 0.16 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2g1e h ARG 11 CO -0.01 -0.43 0.00 -0.35 -1.07 0.00 0.00 179.97 178.10 2g1e n PRO 12 N -4.74 0.10 -0.02 0.04 -0.04 -1.18 -0.01 135.00 129.15 2g1e n PRO 12 Ca -0.08 0.20 -0.18 0.00 -0.04 0.00 0.00 63.50 63.40 2g1e n PRO 12 Cb 0.33 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 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 1.49 -0.00 0.52 2.04 -0.58 -3.36 117.51 117.61 2g1e h ILE 13 Ca 0.00 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.46 2g1e h ILE 13 Cb 0.19 3.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 2g1e h ILE 13 CO 0.00 0.63 -0.90 0.41 0.00 0.00 0.00 178.15 178.29 2g1e n THR 14 N -4.32 0.00 -2.27 -0.27 -1.04 -0.49 -4.97 114.28 100.92 2g1e n THR 14 Ca -0.16 -0.05 -0.17 0.00 -2.04 0.00 0.00 64.05 61.63 2g1e n THR 14 Cb 0.68 1.05 -0.01 0.00 -1.82 0.00 0.00 70.33 70.23 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 -1.21 -1.33 -4.53 -2.82 5.02 0.98 -5.00 118.16 109.27 2g1e n LYS 15 Ca 0.05 0.83 -0.26 0.00 -2.02 0.00 0.00 58.31 56.91 2g1e n LYS 15 Cb 0.36 -5.25 -0.10 0.00 -0.02 0.00 0.00 35.03 30.01 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 -4.75 1.88 -0.03 1.97 -0.14 -1.15 -5.03 119.74 112.48 2g1e s LYS 16 Ca 0.00 -1.96 0.01 0.00 -1.36 0.00 0.00 55.97 52.67 2g1e s LYS 16 Cb 0.00 -1.72 -0.03 0.00 -1.68 0.00 0.00 37.83 34.40 2g1e s LYS 16 CO 0.00 0.09 -0.02 0.36 -0.76 0.00 0.00 175.35 175.03 2g1e n LYS 17 N -0.86 1.45 -3.69 1.68 0.00 -1.26 -4.66 118.16 110.82 2g1e n LYS 17 Ca -0.05 0.01 -0.14 0.00 -0.00 0.00 0.00 58.31 58.13 2g1e n LYS 17 Cb 0.64 -1.07 -0.09 0.00 -0.00 0.00 0.00 35.03 34.51 2g1e n LYS 17 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2g1e s GLU 18 N -2.07 0.67 0.13 -1.58 -6.30 -1.26 -3.41 118.70 104.88 2g1e s GLU 18 Ca -0.04 0.43 -0.09 0.00 -2.50 0.00 0.00 54.97 52.77 2g1e s GLU 18 Cb 0.01 0.32 -0.00 0.00 0.00 0.00 0.00 34.13 34.46 2g1e s GLU 18 CO 0.10 -0.13 0.24 -2.00 0.02 0.00 0.00 175.26 173.49 2g1e s GLU 19 N -0.31 1.02 0.29 4.30 2.56 -0.96 -5.02 118.70 120.57 2g1e s GLU 19 Ca -0.05 -1.07 0.11 0.00 0.00 0.00 0.00 54.97 53.96 2g1e s GLU 19 Cb -0.03 0.36 -0.05 0.00 2.00 0.00 0.00 34.13 36.41 2g1e s GLU 19 CO 0.03 -0.35 -0.16 0.95 -0.56 0.00 0.00 175.26 175.16 2g1e s THR 20 N -3.92 2.33 0.14 -1.70 -4.23 -1.26 -0.33 115.64 106.67 2g1e s THR 20 Ca 0.11 -2.33 -0.09 0.00 -1.18 0.00 0.00 61.69 58.21 2g1e s THR 20 Cb 0.04 -2.39 -0.00 0.00 1.34 0.00 0.00 72.50 71.48 2g1e s THR 20 CO -0.05 -0.35 0.26 -0.36 -0.54 0.00 0.00 174.62 173.58 2g1e s PHE 21 N -2.59 0.29 -0.03 3.99 0.08 0.75 -4.95 117.98 115.52 2g1e s PHE 21 Ca 0.30 -0.67 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 2g1e s PHE 21 Cb -0.02 -0.04 0.01 0.00 -0.57 0.00 0.00 43.02 42.40 2g1e s PHE 21 CO 0.15 -0.66 0.08 0.54 -0.10 0.00 0.00 175.22 175.22 2g1e s ASN 22 N -2.93 -0.07 0.00 1.36 4.22 -1.26 -0.20 114.94 116.06 2g1e s ASN 22 Ca 0.13 0.15 0.00 0.00 -2.14 0.00 0.00 52.86 51.00 2g1e s ASN 22 Cb 0.04 0.14 0.00 0.00 1.28 0.00 0.00 41.25 42.71 2g1e s ASN 22 CO -0.04 -0.04 0.00 0.61 -2.04 0.00 0.00 177.10 175.59 2g1e n GLY 23 N 3.15 3.12 3.73 0.45 0.00 -1.26 -5.06 105.19 109.31 2g1e n GLY 23 Ca -0.14 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.37 2.96 0.00 -0.61 1.01 -1.26 -4.89 121.20 118.05 2g1e s ILE 24 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.38 2g1e s ILE 24 Cb 0.00 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.00 2g1e s ILE 24 CO 0.00 0.08 0.46 -0.24 0.00 0.00 0.00 174.94 175.24 2g1e n SER 25 N 3.42 0.70 -4.11 3.58 2.88 -1.26 -4.96 113.62 113.88 2g1e n SER 25 Ca 0.10 -1.21 -0.11 0.00 -1.33 0.00 0.00 58.87 56.32 2g1e n SER 25 Cb 0.41 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.76 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 -0.21 0.65 0.14 -1.46 -0.14 -1.26 -3.77 119.74 113.69 2g1e s LYS 26 Ca 0.00 -1.05 -0.11 0.00 -1.36 0.00 0.00 55.97 53.45 2g1e s LYS 26 Cb 0.00 -0.16 -0.04 0.00 -1.68 0.00 0.00 37.83 35.95 2g1e s LYS 26 CO 0.00 -0.01 1.48 0.82 -0.76 0.00 0.00 175.35 176.88 2g1e h ILE 27 N 3.69 1.27 0.29 2.17 1.08 -1.51 -2.45 117.51 122.06 2g1e h ILE 27 Ca -0.35 -1.54 -0.01 0.00 -0.39 0.00 0.00 64.86 62.57 2g1e h ILE 27 Cb 1.18 1.36 -0.00 0.00 -3.07 0.00 0.00 36.82 36.29 2g1e h ILE 27 CO 0.54 0.52 -0.17 -1.28 -0.69 0.00 0.00 178.15 177.07 2g1e h SER 28 N 0.77 -0.42 -0.74 1.72 0.87 -1.77 -1.28 113.55 112.69 2g1e h SER 28 Ca 0.07 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 2g1e h SER 28 Cb 0.96 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 63.01 2g1e h SER 28 CO 0.09 -0.28 0.49 -0.33 -0.53 0.00 0.00 176.83 176.27 2g1e h GLU 29 N -0.44 0.90 0.06 2.24 4.39 -1.84 -2.58 114.58 117.30 2g1e h GLU 29 Ca -0.03 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2g1e h GLU 29 Cb 0.36 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2g1e h GLU 29 CO 0.04 0.60 -0.03 1.25 -1.16 0.00 0.00 179.01 179.71 2g1e h LEU 30 N 0.93 -0.07 -0.42 1.33 7.12 -1.03 -2.61 115.31 120.55 2g1e h LEU 30 Ca 0.29 -0.08 0.08 0.00 0.13 0.00 0.00 57.88 58.31 2g1e h LEU 30 Cb 0.02 0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.08 2g1e h LEU 30 CO -0.08 0.03 -0.10 -0.07 -0.13 0.00 0.00 178.44 178.09 2g1e h LEU 31 N -0.16 -0.39 -0.82 2.25 -0.00 -0.86 -0.69 115.31 114.64 2g1e h LEU 31 Ca -0.01 0.13 0.12 0.00 -0.00 0.00 0.00 57.88 58.12 2g1e h LEU 31 Cb 0.14 0.26 -0.08 0.00 -0.00 0.00 0.00 40.66 40.98 2g1e h LEU 31 CO 0.01 -0.14 0.43 -0.33 -0.00 0.00 0.00 178.44 178.42 2g1e h GLU 32 N 0.00 0.65 -0.18 1.13 4.39 -1.36 0.85 114.58 120.06 2g1e h GLU 32 Ca 0.20 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 2g1e h GLU 32 Cb 0.31 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2g1e h GLU 32 CO -0.43 0.43 0.02 0.00 -1.16 0.00 0.00 179.01 177.86 2g1e h ARG 33 N 0.66 0.25 -0.14 2.33 -0.00 -0.76 -2.49 114.38 114.23 2g1e h ARG 33 Ca 0.43 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.85 2g1e h ARG 33 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.44 2g1e h ARG 33 CO -0.32 0.26 0.01 -0.07 0.00 0.00 0.00 179.97 179.86 2g1e h LEU 34 N 0.25 0.24 -1.47 3.04 3.38 -0.14 0.18 115.31 120.79 2g1e h LEU 34 Ca 0.06 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2g1e h LEU 34 Cb 0.15 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2g1e h LEU 34 CO 0.00 0.47 0.34 0.50 0.09 0.00 0.00 178.44 179.84 2g1e h LYS 35 N -0.00 0.69 0.13 1.13 3.64 -1.11 0.28 116.57 121.33 2g1e h LYS 35 Ca 0.04 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2g1e h LYS 35 Cb 0.35 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2g1e h LYS 35 CO 0.01 0.47 -0.06 0.28 -2.27 0.00 0.00 179.45 177.87 2g1e h VAL 36 N 0.71 0.58 -0.03 2.00 2.07 -1.27 0.26 116.25 120.57 2g1e h VAL 36 Ca 0.19 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.55 2g1e h VAL 36 Cb -0.07 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2g1e h VAL 36 CO -0.04 0.17 -0.09 -0.08 0.02 0.00 0.00 177.57 177.55 2g1e h GLU 37 N -0.98 -0.14 0.00 1.57 4.81 -0.57 -2.15 114.58 117.12 2g1e h GLU 37 Ca -0.02 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2g1e h GLU 37 Cb 0.42 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2g1e h GLU 37 CO 0.03 -0.09 -0.16 1.88 -0.73 0.00 0.00 179.01 179.94 2g1e h TYR 38 N -0.14 0.00 0.00 0.92 0.05 -0.60 -3.50 116.97 113.70 2g1e h TYR 38 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 2g1e h TYR 38 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 2g1e h TYR 38 CO -0.17 0.16 0.00 0.41 -1.05 0.00 0.00 178.16 177.51 2g1e n GLY 39 N 0.71 -1.88 0.13 3.88 0.00 0.91 -4.20 105.19 104.74 2g1e n GLY 39 Ca 0.02 -1.67 -0.02 0.00 0.00 0.00 0.00 46.02 44.35 2g1e n GLY 39 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2g1e h SER 40 N 0.00 0.02 -0.69 1.61 0.87 -1.89 -3.22 113.55 110.24 2g1e h SER 40 Ca 0.00 -0.01 0.15 0.00 -1.23 0.00 0.00 61.79 60.69 2g1e h SER 40 Cb 0.00 -0.01 -0.11 0.00 -0.44 0.00 0.00 62.40 61.85 2g1e h SER 40 CO 0.00 0.69 0.13 -0.08 -0.53 0.00 0.00 176.83 177.04 2g1e h GLU 41 N 0.01 0.23 -0.17 2.24 4.81 -1.91 0.34 114.58 120.13 2g1e h GLU 41 Ca -0.01 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2g1e h GLU 41 Cb 1.20 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2g1e h GLU 41 CO 0.09 0.15 -0.18 0.35 -0.73 0.00 0.00 179.01 178.69 2g1e h PHE 42 N 0.23 0.30 -0.06 0.92 3.57 -1.72 0.27 116.94 120.45 2g1e h PHE 42 Ca 0.38 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 2g1e h PHE 42 Cb 0.63 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2g1e h PHE 42 CO -0.29 0.45 -0.20 1.15 -2.23 0.00 0.00 178.31 177.20 2g1e h THR 43 N 0.26 1.44 0.00 4.41 2.02 -0.63 -2.59 112.91 117.82 2g1e h THR 43 Ca 0.05 -1.60 -0.13 0.00 0.77 0.00 0.00 66.41 65.51 2g1e h THR 43 Cb 0.47 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 2g1e h THR 43 CO 0.03 0.45 -0.61 0.11 0.37 0.00 0.00 175.52 175.87 2g1e h LYS 44 N -0.27 0.00 0.00 6.66 1.57 -0.40 0.32 116.57 124.44 2g1e h LYS 44 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2g1e h LYS 44 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 2g1e h LYS 44 CO 0.04 0.61 -0.04 1.96 -0.57 0.00 0.00 179.45 181.45 2g1e h GLN 45 N 0.00 0.00 0.00 3.15 1.08 -0.49 -3.23 115.11 115.61 2g1e h GLN 45 Ca -0.01 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.88 2g1e h GLN 45 Cb 1.10 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.47 2g1e h GLN 45 CO 0.08 0.04 -2.17 -0.12 -0.95 0.00 0.00 178.83 175.71 2g1e n MET 46 N -3.13 1.04 -1.56 1.46 1.56 -0.98 -4.88 117.12 110.63 2g1e n MET 46 Ca 0.01 0.03 -0.28 0.00 -0.27 0.00 0.00 57.70 57.20 2g1e n MET 46 Cb 0.39 -1.43 -0.04 0.00 2.15 0.00 0.00 33.22 34.29 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 -2.41 1.09 -0.53 1.12 1.51 0.11 -4.77 117.35 113.47 2g1e s TYR 47 Ca -0.15 1.72 0.04 0.00 -1.01 0.00 0.00 57.07 57.67 2g1e s TYR 47 Cb 0.06 -3.53 0.13 0.00 -0.11 0.00 0.00 41.96 38.51 2g1e s TYR 47 CO 0.62 -2.20 0.27 -0.51 -1.11 0.00 0.00 175.55 172.62 2g1e s ASP 48 N 11.75 4.34 0.00 2.29 1.11 -1.03 -4.68 116.67 130.46 2g1e s ASP 48 Ca 0.96 -3.04 0.00 0.00 0.18 0.00 0.00 52.55 50.65 2g1e s ASP 48 Cb -0.16 -1.64 0.00 0.00 1.07 0.00 0.00 42.92 42.19 2g1e s ASP 48 CO 0.20 -0.23 0.00 0.61 1.18 0.00 0.00 175.17 176.93 2g1e n GLY 49 N 3.08 1.19 2.49 0.21 0.00 -1.26 -4.47 105.19 106.43 2g1e n GLY 49 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -5.20 -3.67 1.61 3.02 -1.26 -4.92 115.26 104.83 2g1e n ASN 50 Ca 0.00 0.44 -0.15 0.00 -0.03 0.00 0.00 54.58 54.84 2g1e n ASN 50 Cb 0.00 -4.59 -0.08 0.00 -0.61 0.00 0.00 39.78 34.50 2g1e n ASN 50 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2g1e s ASN 51 N -2.60 -0.40 0.00 6.41 0.01 -1.26 -5.10 114.94 112.01 2g1e s ASN 51 Ca 0.00 0.45 0.00 0.00 -0.71 0.00 0.00 52.86 52.60 2g1e s ASN 51 Cb 0.00 0.50 0.00 0.00 0.41 0.00 0.00 41.25 42.16 2g1e s ASN 51 CO 0.00 -0.46 0.00 -0.11 -1.51 0.00 0.00 177.10 175.02 2g1e n LEU 52 N 1.41 0.00 -0.03 0.60 7.94 -1.26 -2.47 117.00 123.19 2g1e n LEU 52 Ca -0.19 0.00 0.22 0.00 -1.11 0.00 0.00 56.01 54.93 2g1e n LEU 52 Cb 0.56 0.00 0.71 0.00 0.53 0.00 0.00 43.42 45.23 2g1e n LEU 52 CO 0.21 -0.36 1.20 0.15 -1.11 0.00 0.00 177.39 177.48 2g1e h PHE 53 N 0.00 0.00 0.00 1.96 3.04 -1.95 0.63 116.94 120.62 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 0.00 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.51 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 -1.99 -2.89 116.57 116.44 2g1e h LYS 54 Ca 0.29 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2g1e h LYS 54 Cb 1.20 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2g1e h LYS 54 CO -0.00 0.01 -1.04 0.09 -2.27 0.00 0.00 179.45 176.24 2g1e n ASN 55 N -3.32 4.84 -4.47 4.20 3.02 0.11 -5.06 115.26 114.59 2g1e n ASN 55 Ca -0.03 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.09 2g1e n ASN 55 Cb 0.09 0.87 -0.00 0.00 -0.61 0.00 0.00 39.78 40.13 2g1e n ASN 55 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2g1e n VAL 56 N -1.68 1.83 -3.84 2.41 3.14 0.18 -4.46 118.33 115.90 2g1e n VAL 56 Ca -0.00 -0.50 -0.29 0.00 -2.96 0.00 0.00 64.34 60.58 2g1e n VAL 56 Cb 0.18 -0.56 -0.16 0.00 -1.06 0.00 0.00 33.84 32.24 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 -1.32 1.08 -0.04 1.55 2.07 -1.26 -4.95 121.20 118.33 2g1e s ILE 57 Ca 0.62 -0.97 0.06 0.00 -1.41 0.00 0.00 60.65 58.95 2g1e s ILE 57 Cb -0.67 -1.48 -0.01 0.00 0.13 0.00 0.00 42.46 40.43 2g1e s ILE 57 CO 0.58 -0.19 -0.23 0.27 -1.91 0.00 0.00 174.94 173.46 2g1e s ILE 58 N 1.59 1.91 -0.25 2.00 -0.00 -1.26 -2.41 121.20 122.79 2g1e s ILE 58 Ca -0.03 -1.00 -0.09 0.00 -0.00 0.00 0.00 60.65 59.53 2g1e s ILE 58 Cb -0.18 -1.61 -0.04 0.00 -0.00 0.00 0.00 42.46 40.63 2g1e s ILE 58 CO -0.08 0.54 0.13 -0.76 -0.00 0.00 0.00 174.94 174.76 2g1e s LEU 59 N -0.24 3.84 -0.20 0.37 1.43 -0.99 -3.75 118.68 119.13 2g1e s LEU 59 Ca -0.00 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 2g1e s LEU 59 Cb -0.12 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 2g1e s LEU 59 CO 0.02 0.01 0.20 0.54 0.23 0.00 0.00 176.35 177.36 2g1e s VAL 60 N 1.36 5.35 -1.04 -1.59 0.11 0.51 -2.12 120.40 122.99 2g1e s VAL 60 Ca 0.06 0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 59.41 2g1e s VAL 60 Cb -0.15 -3.54 0.02 0.00 -1.53 0.00 0.00 36.38 31.18 2g1e s VAL 60 CO 0.06 0.39 0.15 -3.20 -3.33 0.00 0.00 175.10 169.16 2g1e n ASN 61 N 3.81 -3.65 -1.96 3.54 4.05 0.38 -1.96 115.26 119.46 2g1e n ASN 61 Ca -0.14 0.05 -0.05 0.00 0.45 0.00 0.00 54.58 54.89 2g1e n ASN 61 Cb 0.52 -3.09 0.02 0.00 1.23 0.00 0.00 39.78 38.46 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 -0.90 0.27 3.65 8.20 0.00 -1.26 -5.02 105.19 110.13 2g1e n GLY 62 Ca -0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.18 -0.02 0.24 1.61 3.84 -0.83 -5.13 114.94 111.46 2g1e s ASN 63 Ca 0.11 0.04 -0.30 0.00 0.21 0.00 0.00 52.86 52.91 2g1e s ASN 63 Cb -0.01 0.04 -0.10 0.00 -0.55 0.00 0.00 41.25 40.62 2g1e s ASN 63 CO 0.22 -0.01 1.52 0.21 -2.79 0.00 0.00 177.10 176.25 2g1e s ASN 64 N -0.43 6.55 0.20 -4.21 3.84 -1.26 -0.36 114.94 119.27 2g1e s ASN 64 Ca 0.08 2.74 0.07 0.00 0.21 0.00 0.00 52.86 55.97 2g1e s ASN 64 Cb -0.03 -2.62 0.09 0.00 -0.55 0.00 0.00 41.25 38.14 2g1e s ASN 64 CO -0.13 -0.80 1.45 0.16 -2.79 0.00 0.00 177.10 175.00 2g1e h ILE 65 N 3.61 1.54 -0.26 -5.21 3.07 -1.83 -3.14 117.51 115.29 2g1e h ILE 65 Ca -0.45 -2.65 0.08 0.00 1.55 0.00 0.00 64.86 63.38 2g1e h ILE 65 Cb 1.21 2.44 -0.01 0.00 -0.27 0.00 0.00 36.82 40.19 2g1e h ILE 65 CO 0.82 0.76 0.27 0.71 -1.05 0.00 0.00 178.15 179.66 2g1e h THR 66 N 0.03 0.48 0.00 0.16 1.35 -1.88 0.49 112.91 113.53 2g1e h THR 66 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2g1e h THR 66 Cb 1.40 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2g1e h THR 66 CO 0.11 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.14 2g1e n SER 67 N -3.84 0.00 0.00 5.36 2.88 -1.19 -4.52 113.62 112.31 2g1e n SER 67 Ca 0.03 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2g1e n SER 67 Cb 0.41 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -1.33 0.00 -4.48 -1.46 0.00 0.15 -5.14 117.12 104.86 2g1e n MET 68 Ca 0.09 0.00 -0.23 0.00 -0.00 0.00 0.00 57.70 57.55 2g1e n MET 68 Cb 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.30 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 1.76 0.00 2.12 2.47 0.14 -5.07 119.74 121.16 2g1e s LYS 69 Ca 0.00 -2.02 0.00 0.00 -1.56 0.00 0.00 55.97 52.39 2g1e s LYS 69 Cb 0.00 -0.83 0.00 0.00 -1.46 0.00 0.00 37.83 35.54 2g1e s LYS 69 CO 0.00 -0.28 0.00 0.41 0.16 0.00 0.00 175.35 175.64 2g1e n GLY 70 N -0.78 -0.27 0.07 5.54 0.00 -1.26 -3.58 105.19 104.91 2g1e n GLY 70 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.13 0.34 -0.67 0.99 -0.00 -1.26 -4.05 117.00 110.22 2g1e n LEU 71 Ca 0.00 0.15 0.06 0.00 -0.00 0.00 0.00 56.01 56.21 2g1e n LEU 71 Cb 0.00 0.17 0.16 0.00 -0.00 0.00 0.00 43.42 43.75 2g1e n LEU 71 CO 0.00 0.19 0.63 0.47 -0.00 0.00 0.00 177.39 178.68 2g1e n ASP 72 N -2.64 1.94 -4.76 1.45 8.00 -1.26 -2.99 116.55 116.29 2g1e n ASP 72 Ca -0.14 -2.02 -0.41 0.00 0.71 0.00 0.00 54.79 52.92 2g1e n ASP 72 Cb 0.84 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 41.68 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 -1.54 2.12 0.27 -3.53 2.01 -1.26 -4.90 115.64 108.81 2g1e s THR 73 Ca 0.24 0.11 0.09 0.00 0.31 0.00 0.00 61.69 62.44 2g1e s THR 73 Cb 0.13 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 2g1e s THR 73 CO 0.16 0.02 0.01 -1.61 -0.69 0.00 0.00 174.62 172.50 2g1e s GLU 74 N -1.09 2.29 0.15 4.92 2.02 -1.26 -1.56 118.70 124.16 2g1e s GLU 74 Ca 0.59 -1.44 0.06 0.00 0.02 0.00 0.00 54.97 54.19 2g1e s GLU 74 Cb -0.47 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 2g1e s GLU 74 CO 0.53 0.34 0.05 0.42 0.02 0.00 0.00 175.26 176.61 2g1e s ILE 75 N -2.34 4.08 0.88 -1.63 1.01 -1.25 -4.92 121.20 117.03 2g1e s ILE 75 Ca 0.32 -1.18 -0.13 0.00 0.00 0.00 0.00 60.65 59.66 2g1e s ILE 75 Cb -0.06 -3.03 0.14 0.00 0.01 0.00 0.00 42.46 39.52 2g1e s ILE 75 CO 0.20 -0.04 1.24 -0.54 0.00 0.00 0.00 174.94 175.79 2g1e s LYS 76 N -2.82 1.32 0.56 2.79 -0.14 -1.26 -4.89 119.74 115.30 2g1e s LYS 76 Ca 0.28 -0.20 0.27 0.00 -1.36 0.00 0.00 55.97 54.97 2g1e s LYS 76 Cb -0.10 -1.92 1.49 0.00 -1.68 0.00 0.00 37.83 35.62 2g1e s LYS 76 CO 0.20 -1.98 1.99 0.38 -0.76 0.00 0.00 175.35 175.19 2g1e h ASP 77 N -1.31 0.00 -0.60 2.83 2.03 -2.01 -0.63 116.42 116.73 2g1e h ASP 77 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2g1e h ASP 77 Cb 1.28 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.75 2g1e h ASP 77 CO 0.51 0.00 0.38 -0.78 -1.03 0.00 0.00 179.24 178.33 2g1e h ASP 78 N 0.00 0.70 -4.80 4.15 1.82 -1.95 -3.49 116.42 112.86 2g1e h ASP 78 Ca 0.20 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 2g1e h ASP 78 Cb 0.93 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.77 2g1e h ASP 78 CO -0.00 0.53 -0.55 0.47 -1.61 0.00 0.00 179.24 178.08 2g1e n ASP 79 N -4.65 -6.84 -3.67 2.28 8.00 -0.25 -4.76 116.55 106.67 2g1e n ASP 79 Ca 0.04 0.69 -0.12 0.00 0.71 0.00 0.00 54.79 56.12 2g1e n ASP 79 Cb 0.03 -4.54 -0.12 0.00 -0.02 0.00 0.00 41.12 36.47 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 -1.95 0.21 -0.01 -1.24 2.20 -1.26 -1.79 119.74 115.90 2g1e s LYS 80 Ca 0.13 0.79 0.06 0.00 -0.36 0.00 0.00 55.97 56.60 2g1e s LYS 80 Cb -0.04 0.04 -0.02 0.00 -1.51 0.00 0.00 37.83 36.31 2g1e s LYS 80 CO 0.63 -0.26 -0.20 0.42 -0.36 0.00 0.00 175.35 175.58 2g1e s ILE 81 N 2.28 1.58 -0.07 5.43 1.01 -0.39 -0.47 121.20 130.58 2g1e s ILE 81 Ca -0.01 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.80 2g1e s ILE 81 Cb -0.12 -1.32 -0.00 0.00 0.01 0.00 0.00 42.46 41.03 2g1e s ILE 81 CO -0.10 0.42 -0.22 -1.81 0.00 0.00 0.00 174.94 173.23 2g1e s ASP 82 N -0.54 2.78 -0.31 3.58 1.01 -0.90 -0.53 116.67 121.76 2g1e s ASP 82 Ca 0.08 -0.47 -0.09 0.00 0.71 0.00 0.00 52.55 52.77 2g1e s ASP 82 Cb -0.08 -0.93 0.00 0.00 1.01 0.00 0.00 42.92 42.93 2g1e s ASP 82 CO -0.00 0.19 0.13 -0.76 0.21 0.00 0.00 175.17 174.94 2g1e s LEU 83 N 0.06 4.10 0.09 1.23 1.43 -0.78 -2.36 118.68 122.45 2g1e s LEU 83 Ca -0.08 -0.66 0.07 0.00 -1.03 0.00 0.00 54.13 52.42 2g1e s LEU 83 Cb -0.14 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 2g1e s LEU 83 CO 0.05 -0.22 -0.10 -0.36 0.23 0.00 0.00 176.35 175.94 2g1e s PHE 84 N 1.56 2.74 -0.29 0.29 0.40 -1.01 -2.04 117.98 119.63 2g1e s PHE 84 Ca 0.03 -0.15 -0.29 0.00 -0.60 0.00 0.00 56.93 55.92 2g1e s PHE 84 Cb -0.17 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 41.88 2g1e s PHE 84 CO 0.05 0.41 1.66 -1.25 0.70 0.00 0.00 175.22 176.78 2g1e s PRO 85 N -2.06 3.59 0.99 0.24 0.04 -1.26 -4.09 135.00 132.46 2g1e s PRO 85 Ca 0.20 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 62.60 2g1e s PRO 85 Cb -0.11 -4.09 0.19 0.00 0.04 0.00 0.00 34.50 30.52 2g1e s PRO 85 CO 0.12 -1.54 1.09 -1.25 0.04 0.00 0.00 177.00 175.46 2g1e s PRO 86 N 5.08 0.46 0.23 0.56 0.04 -1.26 -4.84 135.00 135.28 2g1e s PRO 86 Ca 0.73 0.53 -0.31 0.00 0.04 0.00 0.00 61.00 61.99 2g1e s PRO 86 Cb -0.22 -1.74 -0.14 0.00 0.04 0.00 0.00 34.50 32.43 2g1e s PRO 86 CO 0.31 -2.71 1.20 1.33 0.04 0.00 0.00 177.00 177.17 2g1e n VAL 87 N -4.17 1.29 -2.19 -0.36 0.24 -1.26 -0.57 118.33 111.31 2g1e n VAL 87 Ca 0.05 -0.32 -0.18 0.00 -2.04 0.00 0.00 64.34 61.85 2g1e n VAL 87 Cb 0.57 -1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 31.80 2g1e n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2g1e n ALA 88 N 1.18 -0.57 0.15 2.33 0.00 -1.26 -4.85 120.51 117.50 2g1e n ALA 88 Ca 0.12 0.19 0.01 0.00 0.00 0.00 0.00 53.44 53.75 2g1e n ALA 88 Cb 0.29 -1.94 0.23 0.00 0.00 0.00 0.00 19.45 18.03 2g1e n ALA 88 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2g1e h GLY 89 N 0.00 0.00 0.00 0.00 0.00 -1.16 -3.43 103.07 98.48 2g1e h GLY 89 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2g1e h GLY 89 CO 0.52 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.67