#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 -0.04 2.03 0.11 -0.30 -4.80 120.40 119.48 2g1e s VAL 2 Ca 0.00 -1.02 -0.19 0.00 -2.93 0.00 0.00 61.98 57.84 2g1e s VAL 2 Cb 0.00 -1.78 -0.05 0.00 -1.53 0.00 0.00 36.38 33.02 2g1e s VAL 2 CO 0.00 0.56 0.53 -0.89 -3.33 0.00 0.00 175.10 171.97 2g1e s THR 3 N 0.27 5.02 -0.04 5.04 2.01 -0.68 -0.09 115.64 127.17 2g1e s THR 3 Ca -0.17 1.10 0.05 0.00 0.31 0.00 0.00 61.69 62.98 2g1e s THR 3 Cb -0.17 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 2g1e s THR 3 CO 0.08 0.41 -0.19 0.54 -0.69 0.00 0.00 174.62 174.77 2g1e s VAL 4 N -0.02 1.54 -0.01 3.82 0.11 0.09 -0.87 120.40 125.07 2g1e s VAL 4 Ca 0.29 -0.79 0.04 0.00 -2.93 0.00 0.00 61.98 58.59 2g1e s VAL 4 Cb -0.17 -1.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.34 2g1e s VAL 4 CO 0.14 0.44 -0.09 -0.13 -3.33 0.00 0.00 175.10 172.13 2g1e s ARG 5 N -0.07 2.50 -0.06 1.54 3.00 0.30 -2.45 118.95 123.70 2g1e s ARG 5 Ca -0.02 -0.74 0.06 0.00 0.00 0.00 0.00 55.73 55.03 2g1e s ARG 5 Cb -0.11 -2.45 -0.01 0.00 0.00 0.00 0.00 34.95 32.38 2g1e s ARG 5 CO 0.02 0.60 -0.25 0.71 0.00 0.00 0.00 175.30 176.38 2g1e s TYR 6 N -0.93 2.45 0.00 -0.53 2.02 -1.16 -1.49 117.35 117.71 2g1e s TYR 6 Ca 0.15 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 56.08 2g1e s TYR 6 Cb -0.11 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 2g1e s TYR 6 CO 0.05 -0.25 0.00 0.66 -1.57 0.00 0.00 175.55 174.44 2g1e n TYR 7 N 3.04 0.00 0.00 2.71 4.02 -0.84 -4.70 117.16 121.39 2g1e n TYR 7 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2g1e n TYR 7 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 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 -1.91 0.00 0.18 -0.72 0.00 -1.23 -4.65 120.51 112.19 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 0.24 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 -0.72 1.47 -0.04 0.00 -2.24 -1.26 -2.06 114.28 109.44 2g1e n THR 9 Ca 0.00 0.46 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 2g1e n THR 9 Cb 0.00 -1.40 0.29 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 0.57 0.20 3.22 6.46 -1.95 -2.34 115.31 121.47 2g1e h LEU 10 Ca 0.00 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 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 0.57 -0.41 0.03 -0.62 0.00 0.00 178.44 178.01 2g1e h ARG 11 N 0.60 -0.64 0.00 1.25 3.08 -1.68 -0.51 114.38 116.48 2g1e h ARG 11 Ca 0.14 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2g1e h ARG 11 Cb 0.23 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2g1e h ARG 11 CO -0.00 -0.42 0.00 -0.35 -1.07 0.00 0.00 179.97 178.12 2g1e n PRO 12 N -4.81 0.10 0.03 0.04 -0.04 -1.19 -0.09 135.00 129.05 2g1e n PRO 12 Ca -0.08 0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 2g1e n PRO 12 Cb 0.34 -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 1.11 0.00 0.52 2.04 -0.66 -3.36 117.51 117.16 2g1e h ILE 13 Ca 0.00 -2.83 0.00 0.00 1.00 0.00 0.00 64.86 63.03 2g1e h ILE 13 Cb 0.19 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 2g1e h ILE 13 CO 0.00 0.76 -0.78 0.41 0.00 0.00 0.00 178.15 178.54 2g1e n THR 14 N -3.32 0.00 -3.35 -0.27 -1.04 -0.32 -5.00 114.28 100.98 2g1e n THR 14 Ca -0.15 -0.22 -0.19 0.00 -2.04 0.00 0.00 64.05 61.45 2g1e n THR 14 Cb 1.03 0.86 0.06 0.00 -1.82 0.00 0.00 70.33 70.46 2g1e n THR 14 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2g1e n LYS 15 N -1.42 -6.20 -4.19 -2.82 3.00 0.88 -5.01 118.16 102.41 2g1e n LYS 15 Ca 0.02 0.65 -0.14 0.00 -0.00 0.00 0.00 58.31 58.84 2g1e n LYS 15 Cb 0.22 -5.16 -0.08 0.00 0.00 0.00 0.00 35.03 30.02 2g1e n LYS 15 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2g1e s LYS 16 N -6.01 1.50 0.00 1.64 1.02 -1.15 -5.05 119.74 111.69 2g1e s LYS 16 Ca 0.45 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.73 2g1e s LYS 16 Cb -0.20 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 2g1e s LYS 16 CO 0.56 -0.55 0.00 0.36 -0.92 0.00 0.00 175.35 174.80 2g1e n LYS 17 N -0.43 1.66 -3.72 1.68 2.85 -1.26 -4.66 118.16 114.28 2g1e n LYS 17 Ca 0.03 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.15 2g1e n LYS 17 Cb 0.64 -0.92 -0.09 0.00 -0.65 0.00 0.00 35.03 34.01 2g1e n LYS 17 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2g1e s GLU 18 N -1.83 0.59 0.18 -1.58 2.12 -1.26 -3.00 118.70 113.92 2g1e s GLU 18 Ca 0.00 0.39 -0.18 0.00 0.36 0.00 0.00 54.97 55.54 2g1e s GLU 18 Cb 0.00 0.28 0.03 0.00 0.26 0.00 0.00 34.13 34.70 2g1e s GLU 18 CO 0.00 -0.11 0.51 -1.21 -0.54 0.00 0.00 175.26 173.91 2g1e s GLU 19 N -0.25 1.32 0.24 4.30 0.41 -1.03 -5.01 118.70 118.69 2g1e s GLU 19 Ca -0.04 -0.79 0.06 0.00 -0.41 0.00 0.00 54.97 53.79 2g1e s GLU 19 Cb -0.03 0.52 -0.03 0.00 -1.78 0.00 0.00 34.13 32.80 2g1e s GLU 19 CO 0.02 -0.56 0.23 0.95 -0.49 0.00 0.00 175.26 175.42 2g1e s THR 20 N -3.85 4.65 0.11 3.63 -4.23 -1.26 -0.73 115.64 113.97 2g1e s THR 20 Ca 0.07 -1.27 -0.04 0.00 -1.18 0.00 0.00 61.69 59.27 2g1e s THR 20 Cb -0.01 -3.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.30 2g1e s THR 20 CO -0.06 -0.32 0.10 -0.36 -0.54 0.00 0.00 174.62 173.45 2g1e s PHE 21 N -2.06 0.59 -0.08 3.99 0.40 0.88 -4.93 117.98 116.76 2g1e s PHE 21 Ca 0.33 -1.01 -0.07 0.00 -0.60 0.00 0.00 56.93 55.59 2g1e s PHE 21 Cb -0.08 -0.31 0.02 0.00 0.51 0.00 0.00 43.02 43.16 2g1e s PHE 21 CO 0.26 -0.53 0.21 0.54 0.70 0.00 0.00 175.22 176.39 2g1e s ASN 22 N -2.98 -0.21 0.00 1.36 2.20 -1.26 -1.15 114.94 112.90 2g1e s ASN 22 Ca 0.16 0.42 0.00 0.00 -0.94 0.00 0.00 52.86 52.50 2g1e s ASN 22 Cb 0.06 0.40 0.00 0.00 -2.00 0.00 0.00 41.25 39.72 2g1e s ASN 22 CO -0.03 -0.09 0.00 0.61 -2.94 0.00 0.00 177.10 174.65 2g1e n GLY 23 N 3.20 2.83 3.67 0.45 0.00 -1.26 -5.06 105.19 109.02 2g1e n GLY 23 Ca -0.15 0.00 -0.38 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 -2.59 5.25 0.00 -0.61 1.01 -1.26 -4.91 121.20 118.09 2g1e s ILE 24 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.22 2g1e s ILE 24 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2g1e s ILE 24 CO 0.00 0.29 0.41 -0.24 0.00 0.00 0.00 174.94 175.39 2g1e n SER 25 N 4.35 0.65 -4.02 3.58 2.88 -1.26 -4.96 113.62 114.84 2g1e n SER 25 Ca -0.10 -1.16 -0.08 0.00 -1.33 0.00 0.00 58.87 56.20 2g1e n SER 25 Cb 0.51 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.16 0.52 0.09 -1.46 -0.14 -1.26 -3.61 119.74 113.73 2g1e s LYS 26 Ca 0.00 -0.94 -0.16 0.00 -1.36 0.00 0.00 55.97 53.51 2g1e s LYS 26 Cb 0.00 0.19 -0.08 0.00 -1.68 0.00 0.00 37.83 36.26 2g1e s LYS 26 CO 0.00 -0.10 1.45 0.82 -0.76 0.00 0.00 175.35 176.76 2g1e h ILE 27 N 3.68 1.30 -0.20 2.17 1.08 -1.48 -1.34 117.51 122.72 2g1e h ILE 27 Ca -0.33 -1.28 0.06 0.00 -0.39 0.00 0.00 64.86 62.91 2g1e h ILE 27 Cb 1.17 1.51 -0.07 0.00 -3.07 0.00 0.00 36.82 36.37 2g1e h ILE 27 CO 0.55 0.41 -0.26 -1.28 -0.69 0.00 0.00 178.15 176.88 2g1e h SER 28 N 0.36 -0.81 0.52 1.72 0.87 -1.66 0.24 113.55 114.80 2g1e h SER 28 Ca 0.06 0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.67 2g1e h SER 28 Cb 0.70 0.37 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2g1e h SER 28 CO 0.05 -0.30 -0.40 1.05 -0.53 0.00 0.00 176.83 176.70 2g1e h GLU 29 N -0.29 0.00 0.06 2.24 4.11 -1.84 -2.82 114.58 116.04 2g1e h GLU 29 Ca 0.12 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.55 2g1e h GLU 29 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2g1e h GLU 29 CO -0.36 0.40 -0.03 1.25 0.07 0.00 0.00 179.01 180.34 2g1e h LEU 30 N 0.00 -0.07 0.04 3.06 7.12 0.06 -1.64 115.31 123.88 2g1e h LEU 30 Ca -0.00 -0.30 0.01 0.00 0.13 0.00 0.00 57.88 57.72 2g1e h LEU 30 Cb 0.77 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.90 2g1e h LEU 30 CO 0.05 0.27 -0.10 -0.07 -0.13 0.00 0.00 178.44 178.47 2g1e h LEU 31 N -0.41 -0.27 -2.00 2.25 -0.00 -0.55 -1.58 115.31 112.75 2g1e h LEU 31 Ca -0.01 0.04 0.04 0.00 -0.00 0.00 0.00 57.88 57.94 2g1e h LEU 31 Cb 0.36 0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2g1e h LEU 31 CO 0.01 -0.14 0.09 1.05 -0.00 0.00 0.00 178.44 179.45 2g1e h GLU 32 N -0.18 0.00 -0.27 1.13 4.11 -1.53 -1.21 114.58 116.62 2g1e h GLU 32 Ca 0.02 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.31 2g1e h GLU 32 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2g1e h GLU 32 CO -0.07 0.00 -0.43 -0.09 0.07 0.00 0.00 179.01 178.49 2g1e h ARG 33 N 0.00 0.66 -0.20 1.06 9.65 -0.36 -2.52 114.38 122.67 2g1e h ARG 33 Ca 0.06 -0.36 -0.02 0.00 -1.10 0.00 0.00 59.98 58.56 2g1e h ARG 33 Cb 0.23 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 2g1e h ARG 33 CO -0.00 0.96 0.04 -0.07 2.80 0.00 0.00 179.97 183.70 2g1e h LEU 34 N 0.54 0.31 -1.32 3.80 3.38 -0.42 0.22 115.31 121.82 2g1e h LEU 34 Ca 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2g1e h LEU 34 Cb 0.96 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 2g1e h LEU 34 CO 0.09 0.48 0.26 0.50 0.09 0.00 0.00 178.44 179.85 2g1e h LYS 35 N 0.13 0.73 0.16 1.13 3.11 -1.47 0.23 116.57 120.58 2g1e h LYS 35 Ca 0.06 -0.08 -0.01 0.00 -2.81 0.00 0.00 60.65 57.81 2g1e h LYS 35 Cb 0.29 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 2g1e h LYS 35 CO 0.00 0.56 -0.08 0.28 -2.81 0.00 0.00 179.45 177.40 2g1e h VAL 36 N 0.73 0.56 -0.07 2.00 2.07 -1.24 0.27 116.25 120.58 2g1e h VAL 36 Ca 0.18 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.61 2g1e h VAL 36 Cb 0.06 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2g1e h VAL 36 CO -0.03 0.16 -0.06 -0.08 0.02 0.00 0.00 177.57 177.58 2g1e h GLU 37 N -0.97 -0.07 0.00 1.57 4.81 -0.52 -1.94 114.58 117.46 2g1e h GLU 37 Ca -0.02 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2g1e h GLU 37 Cb 0.43 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2g1e h GLU 37 CO 0.04 -0.05 0.00 1.88 -0.73 0.00 0.00 179.01 180.15 2g1e h TYR 38 N -0.08 0.00 0.00 0.92 0.05 -0.68 -3.50 116.97 113.69 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 0.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.89 2g1e h TYR 38 CO -0.17 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.35 2g1e n GLY 39 N 0.74 -1.82 0.12 3.88 0.00 0.95 -4.12 105.19 104.94 2g1e n GLY 39 Ca 0.03 -1.48 -0.02 0.00 0.00 0.00 0.00 46.02 44.55 2g1e n GLY 39 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2g1e h SER 40 N 0.00 0.01 -1.02 1.61 0.02 -1.89 -3.15 113.55 109.13 2g1e h SER 40 Ca 0.00 -0.01 0.26 0.00 -0.84 0.00 0.00 61.79 61.20 2g1e h SER 40 Cb 0.00 -0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.45 2g1e h SER 40 CO 0.00 0.69 0.67 -0.08 -1.14 0.00 0.00 176.83 176.97 2g1e h GLU 41 N 0.01 0.36 -0.00 3.45 4.57 -1.91 0.28 114.58 121.33 2g1e h GLU 41 Ca -0.01 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2g1e h GLU 41 Cb 1.21 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 2g1e h GLU 41 CO 0.09 0.24 -0.06 0.35 -1.18 0.00 0.00 179.01 178.44 2g1e h PHE 42 N 0.37 0.06 -0.97 0.92 3.57 -1.70 -0.96 116.94 118.23 2g1e h PHE 42 Ca 0.56 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 62.07 2g1e h PHE 42 Cb 1.49 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 40.16 2g1e h PHE 42 CO -0.00 0.81 0.63 1.15 -2.23 0.00 0.00 178.31 178.67 2g1e h THR 43 N -0.70 1.17 -0.07 4.41 2.02 -1.26 -0.54 112.91 117.94 2g1e h THR 43 Ca -0.01 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.66 2g1e h THR 43 Cb 0.82 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2g1e h THR 43 CO 0.01 0.22 -0.30 0.11 0.37 0.00 0.00 175.52 175.93 2g1e h LYS 44 N 1.23 0.32 0.00 6.66 1.57 -0.59 0.30 116.57 126.05 2g1e h LYS 44 Ca 0.39 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2g1e h LYS 44 Cb -0.00 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2g1e h LYS 44 CO -0.12 0.90 -0.00 1.96 -0.57 0.00 0.00 179.45 181.61 2g1e h GLN 45 N -0.18 0.00 0.00 3.15 1.08 -0.88 -2.37 115.11 115.91 2g1e h GLN 45 Ca -0.02 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.81 2g1e h GLN 45 Cb 0.96 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.32 2g1e h GLN 45 CO 0.06 0.00 -2.39 -1.33 -0.95 0.00 0.00 178.83 174.23 2g1e n MET 46 N -3.17 0.68 -2.11 1.46 2.81 -0.24 -4.88 117.12 111.67 2g1e n MET 46 Ca -0.03 0.07 -0.43 0.00 -1.81 0.00 0.00 57.70 55.50 2g1e n MET 46 Cb 0.11 -1.54 -0.02 0.00 -0.71 0.00 0.00 33.22 31.06 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 -2.51 2.00 -0.54 2.03 1.51 0.10 -4.65 117.35 115.30 2g1e s TYR 47 Ca -0.19 0.63 0.03 0.00 -1.01 0.00 0.00 57.07 56.54 2g1e s TYR 47 Cb 0.07 -4.19 0.13 0.00 -0.11 0.00 0.00 41.96 37.86 2g1e s TYR 47 CO 0.75 -2.64 0.28 0.34 -1.11 0.00 0.00 175.55 173.18 2g1e s ASP 48 N 5.39 4.41 0.00 2.29 2.15 -1.26 -4.86 116.67 124.78 2g1e s ASP 48 Ca 0.74 -3.03 0.00 0.00 0.43 0.00 0.00 52.55 50.68 2g1e s ASP 48 Cb -0.19 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 2g1e s ASP 48 CO 0.33 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.70 2g1e n GLY 49 N 3.10 2.03 1.68 2.66 0.00 -1.26 -4.77 105.19 108.63 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 0.70 0.00 0.00 0.00 173.32 174.02 2g1e n ASN 50 N 0.30 0.18 -4.64 1.61 4.13 -1.26 -5.13 115.26 110.45 2g1e n ASN 50 Ca 0.00 0.28 -0.24 0.00 1.68 0.00 0.00 54.58 56.30 2g1e n ASN 50 Cb 0.00 0.12 -0.08 0.00 -1.54 0.00 0.00 39.78 38.28 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 -5.05 4.30 0.07 6.41 0.01 -1.26 -5.05 114.94 114.37 2g1e s ASN 51 Ca 0.00 -0.86 0.00 0.00 -0.71 0.00 0.00 52.86 51.29 2g1e s ASN 51 Cb 0.00 -0.63 0.00 0.00 0.41 0.00 0.00 41.25 41.03 2g1e s ASN 51 CO 0.00 -0.15 0.00 -0.11 -1.51 0.00 0.00 177.10 175.33 2g1e n LEU 52 N -0.94 -0.03 0.02 0.60 -0.00 -1.26 -4.45 117.00 110.94 2g1e n LEU 52 Ca -0.05 0.12 0.19 0.00 -0.00 0.00 0.00 56.01 56.27 2g1e n LEU 52 Cb 0.61 0.09 0.69 0.00 -0.00 0.00 0.00 43.42 44.81 2g1e n LEU 52 CO 0.42 -0.56 1.17 0.15 -0.00 0.00 0.00 177.39 178.58 2g1e h PHE 53 N 0.00 0.00 0.00 1.96 3.57 -1.95 0.52 116.94 121.04 2g1e h PHE 53 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2g1e h PHE 53 Cb 0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.77 2g1e h PHE 53 CO 0.00 0.00 0.00 1.57 -2.23 0.00 0.00 178.31 177.65 2g1e h LYS 54 N 0.00 0.00 0.00 1.11 5.09 -2.01 -2.73 116.57 118.03 2g1e h LYS 54 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.97 2g1e h LYS 54 Cb 0.93 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.26 2g1e h LYS 54 CO -0.00 0.00 -0.43 0.09 -2.09 0.00 0.00 179.45 177.02 2g1e n ASN 55 N -2.65 2.16 -4.57 7.07 3.02 0.11 -5.06 115.26 115.35 2g1e n ASN 55 Ca -0.00 -0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 53.85 2g1e n ASN 55 Cb 0.15 0.98 0.01 0.00 -0.61 0.00 0.00 39.78 40.31 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 -1.19 2.23 -4.07 2.41 3.14 0.14 -4.60 118.33 116.39 2g1e n VAL 56 Ca 0.00 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.56 2g1e n VAL 56 Cb 0.00 -0.97 -0.15 0.00 -1.06 0.00 0.00 33.84 31.65 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 -1.28 2.22 -0.09 1.55 2.07 -1.25 -4.99 121.20 119.43 2g1e s ILE 57 Ca 0.63 -1.45 0.04 0.00 -1.41 0.00 0.00 60.65 58.45 2g1e s ILE 57 Cb -0.60 -2.22 0.00 0.00 0.13 0.00 0.00 42.46 39.78 2g1e s ILE 57 CO 0.57 0.10 -0.22 0.27 -1.91 0.00 0.00 174.94 173.75 2g1e s ILE 58 N 1.16 1.92 -0.24 2.00 -0.00 -1.26 -2.46 121.20 122.31 2g1e s ILE 58 Ca -0.05 -0.94 -0.09 0.00 -0.00 0.00 0.00 60.65 59.57 2g1e s ILE 58 Cb -0.18 -1.66 -0.04 0.00 -0.00 0.00 0.00 42.46 40.57 2g1e s ILE 58 CO -0.06 0.53 0.12 -0.76 -0.00 0.00 0.00 174.94 174.76 2g1e s LEU 59 N 0.36 3.79 -0.29 0.37 1.43 -0.98 -3.73 118.68 119.63 2g1e s LEU 59 Ca -0.17 -0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 2g1e s LEU 59 Cb -0.17 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2g1e s LEU 59 CO 0.08 0.02 0.30 -0.69 0.23 0.00 0.00 176.35 176.28 2g1e s VAL 60 N 1.32 5.23 -1.04 -1.59 1.01 0.26 -2.19 120.40 123.40 2g1e s VAL 60 Ca 0.06 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 2g1e s VAL 60 Cb -0.15 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.57 2g1e s VAL 60 CO 0.05 0.12 0.05 -3.20 0.00 0.00 0.00 175.10 172.13 2g1e n ASN 61 N 5.23 -3.81 -1.51 3.32 5.15 0.90 -2.40 115.26 122.13 2g1e n ASN 61 Ca -0.11 0.15 -0.00 0.00 -0.60 0.00 0.00 54.58 54.02 2g1e n ASN 61 Cb 0.51 -3.24 0.00 0.00 -0.53 0.00 0.00 39.78 36.52 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 -0.83 0.87 3.65 8.20 0.00 -1.26 -5.02 105.19 110.80 2g1e n GLY 62 Ca -0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.97 -0.03 0.27 1.61 2.47 -1.01 -5.13 114.94 110.15 2g1e s ASN 63 Ca 0.00 0.05 -0.29 0.00 0.42 0.00 0.00 52.86 53.03 2g1e s ASN 63 Cb -0.00 0.37 -0.10 0.00 -1.45 0.00 0.00 41.25 40.07 2g1e s ASN 63 CO 0.01 -0.01 1.36 0.54 -3.72 0.00 0.00 177.10 175.28 2g1e s ASN 64 N 0.35 6.75 0.19 -4.21 2.20 -1.26 -0.57 114.94 118.39 2g1e s ASN 64 Ca 0.02 2.62 0.07 0.00 -0.94 0.00 0.00 52.86 54.64 2g1e s ASN 64 Cb -0.04 -2.63 0.08 0.00 -2.00 0.00 0.00 41.25 36.66 2g1e s ASN 64 CO -0.14 -0.60 1.44 0.16 -2.94 0.00 0.00 177.10 175.03 2g1e h ILE 65 N 3.37 1.54 -0.35 0.54 3.07 -1.82 -3.15 117.51 120.72 2g1e h ILE 65 Ca -0.47 -2.66 0.10 0.00 1.55 0.00 0.00 64.86 63.39 2g1e h ILE 65 Cb 1.22 2.44 -0.01 0.00 -0.27 0.00 0.00 36.82 40.20 2g1e h ILE 65 CO 0.73 0.76 0.36 0.71 -1.05 0.00 0.00 178.15 179.65 2g1e h THR 66 N 0.03 0.46 -0.73 0.16 1.35 -1.90 0.21 112.91 112.50 2g1e h THR 66 Ca -0.02 0.00 -0.40 0.00 -0.55 0.00 0.00 66.41 65.44 2g1e h THR 66 Cb 1.41 0.72 -0.22 0.00 -1.73 0.00 0.00 68.15 68.33 2g1e h THR 66 CO 0.11 0.00 0.51 -0.24 -0.25 0.00 0.00 175.52 175.65 2g1e n SER 67 N -3.84 4.14 0.00 5.36 2.88 -1.19 -4.69 113.62 116.28 2g1e n SER 67 Ca 0.06 -3.22 0.00 0.00 -1.33 0.00 0.00 58.87 54.38 2g1e n SER 67 Cb 0.52 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 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 -4.29 -1.46 0.00 0.53 -5.04 117.12 106.22 2g1e n MET 68 Ca 0.44 0.00 -0.17 0.00 -0.00 0.00 0.00 57.70 57.97 2g1e n MET 68 Cb 1.24 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 34.36 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 1.18 0.00 2.12 2.47 0.07 -5.07 119.74 120.50 2g1e s LYS 69 Ca 0.00 -1.47 0.00 0.00 -1.56 0.00 0.00 55.97 52.94 2g1e s LYS 69 Cb 0.00 -0.91 0.00 0.00 -1.46 0.00 0.00 37.83 35.46 2g1e s LYS 69 CO 0.00 0.15 0.00 0.41 0.16 0.00 0.00 175.35 176.07 2g1e n GLY 70 N -0.13 0.57 0.05 5.54 0.00 -1.26 -3.92 105.19 106.04 2g1e n GLY 70 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.03 2g1e n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g1e n LEU 71 N -0.30 0.47 -0.64 0.99 4.32 -1.26 -3.97 117.00 116.61 2g1e n LEU 71 Ca 0.00 0.07 0.05 0.00 -0.02 0.00 0.00 56.01 56.11 2g1e n LEU 71 Cb 0.00 -0.05 0.15 0.00 -1.62 0.00 0.00 43.42 41.90 2g1e n LEU 71 CO 0.00 -0.03 0.62 0.47 -1.22 0.00 0.00 177.39 177.23 2g1e n ASP 72 N -2.27 1.85 -4.78 -1.43 8.00 -1.26 -2.05 116.55 114.61 2g1e n ASP 72 Ca -0.01 -2.02 -0.41 0.00 0.71 0.00 0.00 54.79 53.06 2g1e n ASP 72 Cb 0.52 -0.24 -0.00 0.00 -0.02 0.00 0.00 41.12 41.37 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 2.07 0.32 -3.53 2.01 -1.25 -4.88 115.64 108.80 2g1e s THR 73 Ca 0.22 0.07 0.10 0.00 0.31 0.00 0.00 61.69 62.38 2g1e s THR 73 Cb 0.12 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 2g1e s THR 73 CO 0.15 0.02 -0.02 -0.70 -0.69 0.00 0.00 174.62 173.37 2g1e s GLU 74 N -1.89 2.05 0.15 4.92 2.12 -1.26 -1.55 118.70 123.24 2g1e s GLU 74 Ca 0.54 -1.70 0.05 0.00 0.36 0.00 0.00 54.97 54.22 2g1e s GLU 74 Cb -0.47 -1.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.94 2g1e s GLU 74 CO 0.61 0.20 0.13 0.42 -0.54 0.00 0.00 175.26 176.08 2g1e s ILE 75 N -2.49 4.50 0.78 -3.70 1.01 -1.24 -4.94 121.20 115.13 2g1e s ILE 75 Ca 0.33 -1.02 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 2g1e s ILE 75 Cb -0.02 -3.27 0.12 0.00 0.01 0.00 0.00 42.46 39.30 2g1e s ILE 75 CO 0.19 -0.06 1.10 -0.54 0.00 0.00 0.00 174.94 175.62 2g1e s LYS 76 N -2.97 1.61 0.55 2.79 -0.14 -1.26 -4.91 119.74 115.42 2g1e s LYS 76 Ca 0.31 -0.51 0.29 0.00 -1.36 0.00 0.00 55.97 54.69 2g1e s LYS 76 Cb -0.10 -2.11 1.46 0.00 -1.68 0.00 0.00 37.83 35.39 2g1e s LYS 76 CO 0.23 -1.64 1.94 0.22 -0.76 0.00 0.00 175.35 175.34 2g1e h ASP 77 N -0.89 0.00 -0.70 2.83 3.58 -2.02 0.01 116.42 119.23 2g1e h ASP 77 Ca -0.42 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.05 2g1e h ASP 77 Cb 1.28 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.29 2g1e h ASP 77 CO 0.49 0.00 0.44 -0.78 -2.88 0.00 0.00 179.24 176.51 2g1e h ASP 78 N 0.00 0.73 -4.82 2.28 1.82 -1.97 -3.48 116.42 110.98 2g1e h ASP 78 Ca 0.30 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 2g1e h ASP 78 Cb 1.29 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.13 2g1e h ASP 78 CO -0.00 0.51 -0.45 0.47 -1.61 0.00 0.00 179.24 178.16 2g1e n ASP 79 N -4.66 -6.82 -3.67 2.28 8.00 -0.01 -4.78 116.55 106.89 2g1e n ASP 79 Ca 0.07 0.53 -0.12 0.00 0.71 0.00 0.00 54.79 55.98 2g1e n ASP 79 Cb 0.07 -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 -2.18 0.21 -0.01 -1.24 2.20 -1.26 -1.69 119.74 115.77 2g1e s LYS 80 Ca 0.18 0.78 0.06 0.00 -0.36 0.00 0.00 55.97 56.63 2g1e s LYS 80 Cb -0.05 0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.29 2g1e s LYS 80 CO 0.62 -0.25 -0.20 0.42 -0.36 0.00 0.00 175.35 175.59 2g1e s ILE 81 N 2.20 1.56 -0.06 5.43 1.01 -0.05 -0.07 121.20 131.22 2g1e s ILE 81 Ca -0.02 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.82 2g1e s ILE 81 Cb -0.11 -1.30 -0.00 0.00 0.01 0.00 0.00 42.46 41.06 2g1e s ILE 81 CO -0.10 0.44 -0.19 -1.81 0.00 0.00 0.00 174.94 173.28 2g1e s ASP 82 N -0.47 2.44 -0.24 3.58 1.11 -0.93 -0.54 116.67 121.62 2g1e s ASP 82 Ca 0.08 -0.41 -0.03 0.00 0.18 0.00 0.00 52.55 52.36 2g1e s ASP 82 Cb -0.08 -0.87 0.01 0.00 1.07 0.00 0.00 42.92 43.05 2g1e s ASP 82 CO -0.01 0.14 -0.05 -0.22 1.18 0.00 0.00 175.17 176.22 2g1e s LEU 83 N 0.21 3.09 0.11 1.23 2.96 -0.56 -2.32 118.68 123.40 2g1e s LEU 83 Ca -0.10 -0.66 0.10 0.00 -0.22 0.00 0.00 54.13 53.26 2g1e s LEU 83 Cb -0.14 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2g1e s LEU 83 CO 0.04 -0.09 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.37 2g1e s PHE 84 N 1.40 2.36 -0.00 5.38 0.40 -1.03 -1.99 117.98 124.50 2g1e s PHE 84 Ca 0.03 -0.36 -0.30 0.00 -0.60 0.00 0.00 56.93 55.70 2g1e s PHE 84 Cb -0.16 -1.30 -0.06 0.00 0.51 0.00 0.00 43.02 42.02 2g1e s PHE 84 CO -0.04 0.31 1.45 -1.25 0.70 0.00 0.00 175.22 176.39 2g1e s PRO 85 N -1.93 4.26 0.77 0.24 0.04 -1.26 -3.80 135.00 133.33 2g1e s PRO 85 Ca 0.14 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.10 2g1e s PRO 85 Cb -0.10 -3.62 0.06 0.00 0.04 0.00 0.00 34.50 30.88 2g1e s PRO 85 CO 0.06 -0.62 1.09 -1.25 0.04 0.00 0.00 177.00 176.32 2g1e s PRO 86 N 2.61 2.25 0.52 0.56 0.04 -1.26 -4.87 135.00 134.85 2g1e s PRO 86 Ca 0.65 1.17 0.24 0.00 0.04 0.00 0.00 61.00 63.11 2g1e s PRO 86 Cb -0.32 -1.90 1.37 0.00 0.04 0.00 0.00 34.50 33.69 2g1e s PRO 86 CO 0.27 -1.65 1.99 -0.39 0.04 0.00 0.00 177.00 177.26 2g1e h VAL 87 N -1.13 0.74 0.00 -0.36 -1.51 -1.95 0.21 116.25 112.24 2g1e h VAL 87 Ca -0.43 -0.01 -0.13 0.00 -1.23 0.00 0.00 66.70 64.90 2g1e h VAL 87 Cb 1.23 0.70 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 2g1e h VAL 87 CO 0.51 0.01 -0.60 0.00 -1.23 0.00 0.00 177.57 176.26 2g1e h ALA 88 N 1.73 0.81 -2.42 5.19 0.00 -1.91 -3.42 119.26 119.23 2g1e h ALA 88 Ca 0.26 -0.54 -0.61 0.00 0.00 0.00 0.00 54.91 54.01 2g1e h ALA 88 Cb 0.99 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.57 2g1e h ALA 88 CO -0.01 0.75 0.18 0.20 0.00 0.00 0.00 179.25 180.37 2g1e s GLY 89 N -4.48 1.79 0.00 0.00 0.00 0.72 -4.63 107.32 100.73 2g1e s GLY 89 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2g1e s GLY 89 CO 0.75 1.49 0.00 0.61 0.00 0.00 0.00 173.10 175.94