#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjg s THR 6 N 0.00 3.49 0.45 3.45 -4.23 -1.26 -4.84 115.64 112.70 1fjg s THR 6 Ca 0.00 0.48 0.17 0.00 -1.18 0.00 0.00 61.69 61.16 1fjg s THR 6 Cb 0.00 -3.22 0.21 0.00 1.34 0.00 0.00 72.50 70.82 1fjg s THR 6 CO 0.00 -0.63 2.02 0.40 -0.54 0.00 0.00 174.62 175.87 1fjg h ILE 7 N -0.93 1.03 -0.40 2.99 1.08 -2.06 -1.59 117.51 117.64 1fjg h ILE 7 Ca -0.46 -0.57 -0.14 0.00 -0.39 0.00 0.00 64.86 63.31 1fjg h ILE 7 Cb 1.24 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 36.29 1fjg h ILE 7 CO 0.58 0.16 -0.29 -1.13 -0.69 0.00 0.00 178.15 176.78 1fjg h ASN 8 N 0.00 0.89 -0.60 1.72 -1.24 -1.99 -2.09 115.58 112.27 1fjg h ASN 8 Ca -0.00 -0.36 -0.08 0.00 0.71 0.00 0.00 56.30 56.56 1fjg h ASN 8 Cb 0.30 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 1fjg h ASN 8 CO 0.02 1.12 0.05 1.56 -1.29 0.00 0.00 177.43 178.89 1fjg h GLN 9 N 0.73 1.02 -0.09 6.67 4.20 -1.69 -1.05 115.11 124.90 1fjg h GLN 9 Ca 0.08 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 1fjg h GLN 9 Cb 0.84 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 1fjg h GLN 9 CO 0.07 0.98 0.04 -0.07 -0.67 0.00 0.00 178.83 179.19 1fjg h LEU 10 N 0.92 0.11 -0.11 1.46 3.38 -1.07 0.63 115.31 120.64 1fjg h LEU 10 Ca 0.18 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.91 1fjg h LEU 10 Cb 0.49 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1fjg h LEU 10 CO 0.02 0.09 -1.02 0.58 0.09 0.00 0.00 178.44 178.21 1fjg h VAL 11 N 0.12 1.44 0.02 1.22 2.07 -0.67 0.25 116.25 120.70 1fjg h VAL 11 Ca 0.03 -2.63 -0.07 0.00 0.82 0.00 0.00 66.70 64.85 1fjg h VAL 11 Cb 0.01 2.57 0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1fjg h VAL 11 CO -0.00 0.78 -0.30 0.03 0.02 0.00 0.00 177.57 178.10 1fjg h ARG 12 N 0.17 0.17 0.00 1.57 3.08 0.01 -3.40 114.38 115.97 1fjg h ARG 12 Ca -0.09 -0.21 -0.15 0.00 0.07 0.00 0.00 59.98 59.61 1fjg h ARG 12 Cb 1.68 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.76 1fjg h ARG 12 CO 0.17 0.98 -1.85 1.63 -1.07 0.00 0.00 179.97 179.84 1fjg n LYS 13 N -4.46 1.18 -1.40 0.04 5.02 0.21 -5.09 118.16 113.65 1fjg n LYS 13 Ca -0.10 -0.06 0.19 0.00 -2.02 0.00 0.00 58.31 56.31 1fjg n LYS 13 Cb 0.55 -1.36 -0.05 0.00 -0.02 0.00 0.00 35.03 34.15 1fjg n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fjg n GLY 14 N 1.93 -2.08 3.92 0.72 0.00 0.88 -4.87 105.19 105.68 1fjg n GLY 14 Ca -0.14 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.45 1fjg n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fjg s ARG 15 N -2.47 3.58 -0.24 1.61 1.81 -1.26 -4.93 118.95 117.04 1fjg s ARG 15 Ca 0.00 -0.06 -0.08 0.00 -1.72 0.00 0.00 55.73 53.87 1fjg s ARG 15 Cb 0.00 -2.61 -0.03 0.00 -0.45 0.00 0.00 34.95 31.85 1fjg s ARG 15 CO 0.00 0.14 0.09 -2.00 -0.68 0.00 0.00 175.30 172.84 1fjg s GLU 16 N -3.93 3.76 0.27 3.54 2.12 -1.26 -5.08 118.70 118.11 1fjg s GLU 16 Ca 0.43 -0.43 -0.30 0.00 0.36 0.00 0.00 54.97 55.04 1fjg s GLU 16 Cb -0.10 -3.36 -0.10 0.00 0.26 0.00 0.00 34.13 30.83 1fjg s GLU 16 CO 0.34 -0.11 1.40 0.15 -0.54 0.00 0.00 175.26 176.50 1fjg s LYS 17 N 1.42 4.29 0.27 4.30 -0.14 -1.26 -4.97 119.74 123.65 1fjg s LYS 17 Ca 0.06 2.27 -0.29 0.00 -1.36 0.00 0.00 55.97 56.65 1fjg s LYS 17 Cb -0.15 -3.10 -0.10 0.00 -1.68 0.00 0.00 37.83 32.80 1fjg s LYS 17 CO 0.04 -0.36 1.24 0.08 -0.76 0.00 0.00 175.35 175.59 1fjg s VAL 18 N -0.27 3.12 -0.16 3.17 1.01 -1.26 -5.03 120.40 120.98 1fjg s VAL 18 Ca 0.57 1.05 -0.06 0.00 0.00 0.00 0.00 61.98 63.54 1fjg s VAL 18 Cb -0.41 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1fjg s VAL 18 CO 0.46 0.22 0.04 -0.13 0.00 0.00 0.00 175.10 175.68 1fjg s ARG 19 N -1.15 3.73 -0.04 2.72 0.52 -1.26 -5.10 118.95 118.38 1fjg s ARG 19 Ca 0.50 -0.37 -0.20 0.00 -0.52 0.00 0.00 55.73 55.14 1fjg s ARG 19 Cb -0.36 -3.09 -0.05 0.00 0.52 0.00 0.00 34.95 31.97 1fjg s ARG 19 CO 0.45 0.37 0.57 0.15 0.02 0.00 0.00 175.30 176.85 1fjg s LYS 20 N 0.08 4.31 -0.22 3.54 1.02 -1.26 -5.06 119.74 122.14 1fjg s LYS 20 Ca 0.04 0.66 -0.05 0.00 0.02 0.00 0.00 55.97 56.64 1fjg s LYS 20 Cb -0.12 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1fjg s LYS 20 CO 0.01 0.31 -0.00 0.21 -0.92 0.00 0.00 175.35 174.96 1fjg s LYS 21 N 0.04 3.51 0.51 1.68 2.47 -1.26 -5.09 119.74 121.59 1fjg s LYS 21 Ca 0.30 -0.56 -0.23 0.00 -1.56 0.00 0.00 55.97 53.92 1fjg s LYS 21 Cb -0.17 -3.11 -0.06 0.00 -1.46 0.00 0.00 37.83 33.03 1fjg s LYS 21 CO 0.15 -0.14 1.31 0.45 0.16 0.00 0.00 175.35 177.28 1fjg s SER 22 N 1.40 5.61 -0.14 1.43 0.15 -1.26 -4.93 113.70 115.95 1fjg s SER 22 Ca 0.05 2.65 0.16 0.00 0.70 0.00 0.00 55.95 59.51 1fjg s SER 22 Cb -0.15 -2.63 0.45 0.00 -1.71 0.00 0.00 66.02 61.99 1fjg s SER 22 CO -0.00 -1.33 1.35 0.29 1.20 0.00 0.00 173.24 174.75 1fjg n LYS 23 N -0.76 2.71 -2.93 5.44 5.02 -1.26 -4.76 118.16 121.63 1fjg n LYS 23 Ca 0.09 -2.65 -0.14 0.00 -2.02 0.00 0.00 58.31 53.59 1fjg n LYS 23 Cb 0.45 -1.69 -0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1fjg n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1fjg n VAL 24 N -0.48 -0.29 -2.06 -0.18 0.31 -1.26 -4.97 118.33 109.40 1fjg n VAL 24 Ca 0.19 -2.36 -0.27 0.00 -0.01 0.00 0.00 64.34 61.88 1fjg n VAL 24 Cb 0.77 0.18 -0.05 0.00 -0.91 0.00 0.00 33.84 33.83 1fjg n VAL 24 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1fjg s PRO 25 N 0.08 2.53 -0.48 5.55 0.02 -1.26 -4.45 135.00 136.99 1fjg s PRO 25 Ca 0.33 -0.64 0.03 0.00 0.02 0.00 0.00 61.00 60.73 1fjg s PRO 25 Cb 0.18 -5.14 0.45 0.00 0.02 0.00 0.00 34.50 30.01 1fjg s PRO 25 CO -0.18 -3.62 1.58 0.00 -0.33 0.00 0.00 177.00 174.44 1fjg n ALA 26 N 14.15 5.65 0.00 -1.55 0.00 -1.26 -5.01 120.51 132.48 1fjg n ALA 26 Ca 0.42 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 50.17 1fjg n ALA 26 Cb 0.47 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1fjg n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1fjg n LEU 27 N -0.78 0.00 0.00 0.00 7.94 -1.26 -3.31 117.00 119.59 1fjg n LEU 27 Ca 0.52 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 1fjg n LEU 27 Cb 0.80 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.75 1fjg n LEU 27 CO 0.57 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 177.14 1fjg n LYS 28 N 6.80 0.00 -3.28 1.96 5.02 -1.26 -2.59 118.16 124.82 1fjg n LYS 28 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 1fjg n LYS 28 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1fjg n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fjg n GLY 29 N 0.00 -0.14 3.87 0.72 0.00 -1.25 -4.80 105.19 103.59 1fjg n GLY 29 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1fjg n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fjg s ALA 30 N -2.93 3.20 0.05 4.61 0.00 -1.07 -5.00 121.76 120.63 1fjg s ALA 30 Ca 0.23 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 1fjg s ALA 30 Cb -0.13 -2.91 -0.24 0.00 0.00 0.00 0.00 23.12 19.83 1fjg s ALA 30 CO 0.54 -0.43 1.15 -1.35 0.00 0.00 0.00 175.76 175.66 1fjg h PRO 31 N 0.26 0.61 -4.25 0.00 0.11 -1.90 -3.47 132.00 123.36 1fjg h PRO 31 Ca -0.46 -0.69 -0.17 0.00 0.11 0.00 0.00 66.00 64.79 1fjg h PRO 31 Cb 1.19 0.20 -0.13 0.00 0.11 0.00 0.00 31.00 32.37 1fjg h PRO 31 CO 0.62 1.28 -0.47 -0.06 -0.21 0.00 0.00 178.00 179.16 1fjg s PHE 32 N -3.22 0.82 -0.19 0.65 0.08 -1.26 -4.69 117.98 110.18 1fjg s PHE 32 Ca -0.11 -1.12 -0.15 0.00 0.12 0.00 0.00 56.93 55.67 1fjg s PHE 32 Cb 0.06 -0.31 0.05 0.00 -0.57 0.00 0.00 43.02 42.25 1fjg s PHE 32 CO 0.90 -0.71 0.49 0.50 -0.10 0.00 0.00 175.22 176.30 1fjg s ARG 33 N -4.08 0.55 0.18 0.44 6.06 -0.66 -4.95 118.95 116.48 1fjg s ARG 33 Ca 0.30 0.76 0.01 0.00 -2.50 0.00 0.00 55.73 54.29 1fjg s ARG 33 Cb 0.05 0.20 -0.04 0.00 0.06 0.00 0.00 34.95 35.22 1fjg s ARG 33 CO 0.08 -0.10 0.34 -0.98 -2.50 0.00 0.00 175.30 172.14 1fjg s ARG 34 N 0.65 3.48 0.08 5.12 1.70 -1.26 0.18 118.95 128.90 1fjg s ARG 34 Ca -0.03 -0.47 -0.03 0.00 -0.47 0.00 0.00 55.73 54.73 1fjg s ARG 34 Cb -0.05 -2.90 0.01 0.00 -0.57 0.00 0.00 34.95 31.45 1fjg s ARG 34 CO -0.04 0.46 0.17 0.41 -1.08 0.00 0.00 175.30 175.21 1fjg n GLY 35 N -0.62 1.74 3.26 3.88 0.00 0.20 -1.06 105.19 112.58 1fjg n GLY 35 Ca -0.06 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1fjg n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fjg s VAL 36 N -2.79 1.81 0.56 1.61 1.01 -0.36 -0.22 120.40 122.02 1fjg s VAL 36 Ca 0.03 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 1fjg s VAL 36 Cb -0.01 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1fjg s VAL 36 CO 0.02 0.48 1.26 0.00 0.00 0.00 0.00 175.10 176.86 1fjg n THR 38 N -1.21 0.06 -4.43 0.00 -1.04 0.19 -4.15 114.28 103.69 1fjg n THR 38 Ca 0.11 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.93 1fjg n THR 38 Cb 0.47 -1.51 -0.14 0.00 -1.82 0.00 0.00 70.33 67.33 1fjg n THR 38 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1fjg s VAL 39 N -2.01 0.88 -0.65 12.58 1.01 -1.24 -4.83 120.40 126.14 1fjg s VAL 39 Ca -0.01 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1fjg s VAL 39 Cb 0.00 -0.75 0.17 0.00 0.00 0.00 0.00 36.38 35.81 1fjg s VAL 39 CO 0.01 0.18 0.48 0.52 0.00 0.00 0.00 175.10 176.29 1fjg n VAL 40 N 2.63 1.14 -1.01 2.92 0.31 -1.26 -0.20 118.33 122.85 1fjg n VAL 40 Ca -0.15 -4.62 0.00 0.00 -0.01 0.00 0.00 64.34 59.56 1fjg n VAL 40 Cb 0.56 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 1fjg n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1fjg n ARG 41 N 2.06 0.15 -4.10 5.55 0.63 -1.16 -4.95 116.66 114.84 1fjg n ARG 41 Ca 0.22 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.99 1fjg n ARG 41 Cb 0.38 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.14 1fjg n ARG 41 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1fjg s THR 42 N -0.81 0.35 0.02 5.15 -1.32 -1.26 -3.15 115.64 114.62 1fjg s THR 42 Ca 0.00 -0.16 0.03 0.00 -1.21 0.00 0.00 61.69 60.35 1fjg s THR 42 Cb 0.00 -0.31 -0.02 0.00 -1.51 0.00 0.00 72.50 70.66 1fjg s THR 42 CO 0.00 0.11 -0.10 -0.69 -2.21 0.00 0.00 174.62 171.73 1fjg s VAL 43 N 0.06 0.77 0.11 5.08 1.01 0.28 -4.91 120.40 122.81 1fjg s VAL 43 Ca -0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 1fjg s VAL 43 Cb -0.04 -0.71 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 1fjg s VAL 43 CO -0.00 -0.03 0.45 0.42 0.00 0.00 0.00 175.10 175.94 1fjg s THR 44 N -0.71 5.03 0.60 3.92 -4.23 -1.26 0.59 115.64 119.57 1fjg s THR 44 Ca -0.01 0.52 -0.10 0.00 -1.18 0.00 0.00 61.69 60.92 1fjg s THR 44 Cb -0.06 -3.66 0.15 0.00 1.34 0.00 0.00 72.50 70.26 1fjg s THR 44 CO 0.00 0.23 0.51 -2.65 -0.54 0.00 0.00 174.62 172.18 1fjg n PRO 45 N 0.75 -2.21 -0.92 3.99 -0.02 -1.25 -4.88 135.00 130.46 1fjg n PRO 45 Ca -0.06 -0.82 0.00 0.00 -2.02 0.00 0.00 63.50 60.60 1fjg n PRO 45 Cb 0.52 -0.80 0.00 0.00 -0.02 0.00 0.00 33.50 33.20 1fjg n PRO 45 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1fjg n LYS 46 N -3.20 2.98 0.00 -0.52 2.85 -0.76 -4.88 118.16 114.63 1fjg n LYS 46 Ca 0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 1fjg n LYS 46 Cb 0.28 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.66 1fjg n LYS 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1fjg n LYS 47 N -0.03 0.00 -0.13 -1.58 4.01 -1.26 0.08 118.16 119.24 1fjg n LYS 47 Ca 0.00 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.84 1fjg n LYS 47 Cb 0.00 0.00 0.11 0.00 -0.51 0.00 0.00 35.03 34.63 1fjg n LYS 47 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1fjg n PRO 48 N 0.00 2.86 -4.13 1.97 -0.04 -1.26 -5.02 135.00 129.37 1fjg n PRO 48 Ca 0.00 -1.89 -0.27 0.00 -0.04 0.00 0.00 63.50 61.29 1fjg n PRO 48 Cb 0.00 -1.20 -0.07 0.00 -0.04 0.00 0.00 33.50 32.19 1fjg n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1fjg s ASN 49 N -0.99 5.17 -0.03 3.54 0.02 0.11 -5.11 114.94 117.65 1fjg s ASN 49 Ca 0.17 -0.22 -0.01 0.00 -1.02 0.00 0.00 52.86 51.79 1fjg s ASN 49 Cb 0.09 -1.25 0.03 0.00 0.02 0.00 0.00 41.25 40.14 1fjg s ASN 49 CO 0.12 0.11 0.05 -0.55 0.02 0.00 0.00 177.10 176.84 1fjg s SER 50 N -2.82 0.22 0.00 -1.22 0.15 -1.26 -4.10 113.70 104.66 1fjg s SER 50 Ca 0.29 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1fjg s SER 50 Cb -0.10 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1fjg s SER 50 CO 0.21 -0.15 0.00 0.00 1.20 0.00 0.00 173.24 174.50 1fjg n ALA 51 N 4.37 0.00 -3.52 5.45 0.00 -1.26 -4.97 120.51 120.59 1fjg n ALA 51 Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 1fjg n ALA 51 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 1fjg n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fjg n LEU 52 N 0.00 3.95 -4.65 0.00 4.77 -1.26 -3.95 117.00 115.87 1fjg n LEU 52 Ca 0.00 -5.33 -0.45 0.00 -0.03 0.00 0.00 56.01 50.20 1fjg n LEU 52 Cb 0.00 -0.81 -0.02 0.00 -2.33 0.00 0.00 43.42 40.26 1fjg n LEU 52 CO 0.00 1.89 0.83 0.54 -1.33 0.00 0.00 177.39 179.32 1fjg n ARG 53 N 1.34 1.78 -3.17 3.23 3.00 0.20 -4.50 116.66 118.53 1fjg n ARG 53 Ca 0.26 0.63 -0.42 0.00 -0.01 0.00 0.00 57.85 58.31 1fjg n ARG 53 Cb 0.38 -2.17 -0.07 0.00 0.00 0.00 0.00 32.46 30.60 1fjg n ARG 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1fjg s LYS 54 N -1.11 3.63 0.48 5.56 3.01 -1.26 0.10 119.74 130.15 1fjg s LYS 54 Ca 0.63 -0.07 0.05 0.00 -1.01 0.00 0.00 55.97 55.57 1fjg s LYS 54 Cb -0.67 -3.82 -0.01 0.00 -1.01 0.00 0.00 37.83 32.33 1fjg s LYS 54 CO 0.56 -0.71 0.21 0.08 0.51 0.00 0.00 175.35 176.00 1fjg s VAL 55 N 2.56 1.80 -0.25 3.17 1.01 -1.19 -0.99 120.40 126.51 1fjg s VAL 55 Ca 0.22 -1.71 -0.19 0.00 0.00 0.00 0.00 61.98 60.30 1fjg s VAL 55 Cb -0.15 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 33.79 1fjg s VAL 55 CO 0.14 0.00 0.65 0.00 0.00 0.00 0.00 175.10 175.89 1fjg s ALA 56 N -2.73 -1.67 -0.11 5.51 0.00 -0.23 -2.98 121.76 119.55 1fjg s ALA 56 Ca 0.30 2.04 -0.24 0.00 0.00 0.00 0.00 51.96 54.05 1fjg s ALA 56 Cb 0.01 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1fjg s ALA 56 CO 0.17 -0.33 0.77 0.15 0.00 0.00 0.00 175.76 176.52 1fjg s LYS 57 N 0.91 4.37 -0.08 0.00 1.02 0.71 -0.61 119.74 126.06 1fjg s LYS 57 Ca -0.04 0.96 0.04 0.00 0.02 0.00 0.00 55.97 56.94 1fjg s LYS 57 Cb -0.05 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1fjg s LYS 57 CO -0.08 -0.13 -0.20 0.08 -0.92 0.00 0.00 175.35 174.10 1fjg s VAL 58 N 1.47 1.75 -0.40 3.17 1.01 0.32 0.55 120.40 128.27 1fjg s VAL 58 Ca 0.38 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 1fjg s VAL 58 Cb -0.17 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1fjg s VAL 58 CO 0.16 0.49 0.46 -0.60 0.00 0.00 0.00 175.10 175.61 1fjg s ARG 59 N 0.34 3.26 0.55 2.72 3.52 -0.47 0.58 118.95 129.45 1fjg s ARG 59 Ca -0.15 -0.57 -0.09 0.00 -0.13 0.00 0.00 55.73 54.79 1fjg s ARG 59 Cb -0.16 -3.92 -0.04 0.00 -1.56 0.00 0.00 34.95 29.27 1fjg s ARG 59 CO 0.06 -0.79 0.92 -0.51 -0.81 0.00 0.00 175.30 174.17 1fjg s LEU 60 N 2.24 3.43 0.55 -0.88 2.01 0.56 -1.22 118.68 125.38 1fjg s LEU 60 Ca 0.14 1.22 0.34 0.00 0.01 0.00 0.00 54.13 55.84 1fjg s LEU 60 Cb -0.16 -4.22 1.44 0.00 0.01 0.00 0.00 46.19 43.26 1fjg s LEU 60 CO 0.14 -0.72 2.01 0.71 1.01 0.00 0.00 176.35 179.50 1fjg h THR 61 N 0.02 0.05 0.00 5.49 1.35 -1.39 -0.98 112.91 117.44 1fjg h THR 61 Ca -0.45 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1fjg h THR 61 Cb 1.20 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1fjg h THR 61 CO 0.62 0.02 0.00 -1.54 -0.25 0.00 0.00 175.52 174.37 1fjg n SER 62 N -3.13 0.00 0.00 5.36 3.41 -1.26 -4.85 113.62 113.15 1fjg n SER 62 Ca 0.00 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 1fjg n SER 62 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1fjg n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fjg n GLY 63 N 0.61 0.71 3.74 5.00 0.00 -0.37 -4.94 105.19 109.94 1fjg n GLY 63 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1fjg n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fjg s TYR 64 N -2.60 3.26 -0.41 1.61 1.51 -1.25 -4.87 117.35 114.60 1fjg s TYR 64 Ca 0.00 0.25 -0.06 0.00 -1.01 0.00 0.00 57.07 56.25 1fjg s TYR 64 Cb 0.00 -1.79 0.10 0.00 -0.11 0.00 0.00 41.96 40.15 1fjg s TYR 64 CO 0.00 0.54 0.22 -1.21 -1.11 0.00 0.00 175.55 173.99 1fjg s GLU 65 N -1.18 2.30 0.30 -0.62 8.01 -1.25 0.21 118.70 126.46 1fjg s GLU 65 Ca 0.17 -1.65 0.06 0.00 0.01 0.00 0.00 54.97 53.56 1fjg s GLU 65 Cb -0.12 -3.65 -0.06 0.00 -4.31 0.00 0.00 34.13 26.00 1fjg s GLU 65 CO 0.06 -1.01 -0.04 0.14 0.01 0.00 0.00 175.26 174.43 1fjg s VAL 66 N 1.27 1.64 -0.09 2.63 -7.23 0.20 -4.86 120.40 113.96 1fjg s VAL 66 Ca 0.05 -2.10 -0.16 0.00 -1.81 0.00 0.00 61.98 57.96 1fjg s VAL 66 Cb -0.23 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 1fjg s VAL 66 CO -0.02 -0.23 0.39 0.28 -0.31 0.00 0.00 175.10 175.22 1fjg s THR 67 N -3.01 5.17 0.03 5.32 -1.32 -1.26 0.12 115.64 120.70 1fjg s THR 67 Ca 0.31 0.79 0.03 0.00 -1.21 0.00 0.00 61.69 61.61 1fjg s THR 67 Cb 0.05 -3.72 -0.02 0.00 -1.51 0.00 0.00 72.50 67.30 1fjg s THR 67 CO 0.13 0.44 -0.10 0.00 -2.21 0.00 0.00 174.62 172.88 1fjg s ALA 68 N -0.05 0.83 0.39 11.08 0.00 0.22 -4.07 121.76 130.15 1fjg s ALA 68 Ca 0.22 -0.69 -0.22 0.00 0.00 0.00 0.00 51.96 51.27 1fjg s ALA 68 Cb -0.15 -0.09 -0.10 0.00 0.00 0.00 0.00 23.12 22.78 1fjg s ALA 68 CO 0.09 0.12 0.92 -0.47 0.00 0.00 0.00 175.76 176.42 1fjg s TYR 69 N -0.90 3.42 -0.53 0.00 5.04 -0.05 -1.06 117.35 123.27 1fjg s TYR 69 Ca -0.02 1.61 0.02 0.00 -2.44 0.00 0.00 57.07 56.23 1fjg s TYR 69 Cb -0.07 -2.83 0.14 0.00 0.35 0.00 0.00 41.96 39.54 1fjg s TYR 69 CO 0.01 0.00 0.29 0.42 -1.34 0.00 0.00 175.55 174.93 1fjg s ILE 70 N -2.00 2.93 0.79 3.14 1.01 -0.16 -0.42 121.20 126.49 1fjg s ILE 70 Ca 0.58 -3.06 -0.12 0.00 0.00 0.00 0.00 60.65 58.05 1fjg s ILE 70 Cb -0.12 -3.00 0.07 0.00 0.01 0.00 0.00 42.46 39.43 1fjg s ILE 70 CO 0.16 -0.80 1.14 -2.16 0.00 0.00 0.00 174.94 173.28 1fjg s PRO 71 N -0.04 1.94 0.00 2.79 0.04 -1.26 -4.70 135.00 133.77 1fjg s PRO 71 Ca 0.16 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1fjg s PRO 71 Cb -0.23 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1fjg s PRO 71 CO -0.02 -1.92 0.00 0.41 0.04 0.00 0.00 177.00 175.51 1fjg n GLY 72 N -0.33 2.06 0.20 0.56 0.00 -1.26 -4.81 105.19 101.61 1fjg n GLY 72 Ca 0.11 -2.11 0.10 0.00 0.00 0.00 0.00 46.02 44.13 1fjg n GLY 72 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fjg h GLU 73 N 0.00 0.00 -2.27 1.61 3.07 -1.95 -3.47 114.58 111.56 1fjg h GLU 73 Ca 0.00 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.94 1fjg h GLU 73 Cb 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 27.75 1fjg h GLU 73 CO 0.00 0.08 0.44 0.20 -1.40 0.00 0.00 179.01 178.32 1fjg s GLY 74 N -4.26 -0.47 0.20 -3.84 0.00 -1.26 -5.15 107.32 92.55 1fjg s GLY 74 Ca 0.06 1.09 0.04 0.00 0.00 0.00 0.00 44.72 45.92 1fjg s GLY 74 CO 0.69 0.44 0.15 -2.39 0.00 0.00 0.00 173.10 171.99 1fjg n HIS 75 N -0.06 -0.33 -2.60 1.90 1.44 -1.26 -4.82 115.22 109.49 1fjg n HIS 75 Ca -0.11 -1.61 -0.09 0.00 -2.01 0.00 0.00 57.72 53.91 1fjg n HIS 75 Cb 0.61 0.13 0.04 0.00 0.12 0.00 0.00 29.99 30.89 1fjg n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1fjg n ASN 76 N -2.12 2.53 -4.62 4.39 6.94 -1.26 -5.07 115.26 116.05 1fjg n ASN 76 Ca 0.03 -2.63 -0.37 0.00 -0.02 0.00 0.00 54.58 51.59 1fjg n ASN 76 Cb 0.35 -0.45 -0.10 0.00 -2.36 0.00 0.00 39.78 37.22 1fjg n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1fjg s LEU 77 N -3.65 4.05 0.00 -4.53 1.43 -1.26 -4.86 118.68 109.86 1fjg s LEU 77 Ca 0.34 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1fjg s LEU 77 Cb 0.37 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.48 1fjg s LEU 77 CO -0.02 0.01 0.00 0.00 0.23 0.00 0.00 176.35 176.57 1fjg n GLN 78 N 4.65 1.58 -0.10 1.70 6.02 -1.26 -4.92 117.38 125.04 1fjg n GLN 78 Ca -0.15 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.83 1fjg n GLN 78 Cb 0.52 0.00 0.24 0.00 1.02 0.00 0.00 30.24 32.02 1fjg n GLN 78 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1fjg h GLU 79 N 0.00 0.76 -0.90 -1.09 4.81 -1.88 -3.14 114.58 113.14 1fjg h GLU 79 Ca 0.00 -0.13 -0.56 0.00 -0.13 0.00 0.00 59.36 58.53 1fjg h GLU 79 Cb 0.00 -0.13 -0.42 0.00 0.63 0.00 0.00 28.75 28.83 1fjg h GLU 79 CO 0.00 0.66 -0.71 0.72 -0.73 0.00 0.00 179.01 178.95 1fjg n HIS 80 N -4.31 2.88 -0.14 0.92 8.25 -1.26 -3.37 115.22 118.20 1fjg n HIS 80 Ca 0.04 -2.40 -0.04 0.00 -0.26 0.00 0.00 57.72 55.06 1fjg n HIS 80 Cb 0.19 -0.36 0.05 0.00 1.12 0.00 0.00 29.99 30.99 1fjg n HIS 80 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1fjg h SER 81 N 2.24 0.01 -3.37 0.41 0.02 -1.77 -3.44 113.55 107.66 1fjg h SER 81 Ca 0.37 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1fjg h SER 81 Cb 1.39 0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.04 1fjg h SER 81 CO 0.82 0.04 -0.22 0.52 -1.14 0.00 0.00 176.83 176.85 1fjg n VAL 82 N -5.10 -4.62 -3.87 2.27 0.31 -1.26 -4.18 118.33 101.88 1fjg n VAL 82 Ca 0.04 0.74 -0.09 0.00 -0.01 0.00 0.00 64.34 65.03 1fjg n VAL 82 Cb 0.21 -3.39 -0.01 0.00 -0.91 0.00 0.00 33.84 29.74 1fjg n VAL 82 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1fjg s VAL 83 N -0.13 0.00 -0.19 2.52 0.11 0.70 -2.54 120.40 120.87 1fjg s VAL 83 Ca 0.00 -1.09 -0.10 0.00 -2.93 0.00 0.00 61.98 57.86 1fjg s VAL 83 Cb 0.00 -2.45 -0.05 0.00 -1.53 0.00 0.00 36.38 32.35 1fjg s VAL 83 CO 0.00 0.00 0.13 -0.22 -3.33 0.00 0.00 175.10 171.68 1fjg s LEU 84 N -3.02 4.23 -0.07 2.54 2.96 -1.26 -0.63 118.68 123.43 1fjg s LEU 84 Ca 0.16 0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 54.28 1fjg s LEU 84 Cb -0.05 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1fjg s LEU 84 CO 0.10 0.20 0.11 -0.63 -1.32 0.00 0.00 176.35 174.81 1fjg s ILE 85 N 0.23 5.12 0.00 6.68 1.01 0.13 -0.69 121.20 133.68 1fjg s ILE 85 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1fjg s ILE 85 Cb -0.11 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1fjg s ILE 85 CO -0.01 0.51 0.23 -2.11 0.00 0.00 0.00 174.94 173.56 1fjg n ARG 86 N 1.68 1.64 -0.31 2.79 1.85 0.01 -1.65 116.66 122.67 1fjg n ARG 86 Ca -0.17 -0.23 0.00 0.00 -1.00 0.00 0.00 57.85 56.46 1fjg n ARG 86 Cb 0.54 -0.68 0.00 0.00 -1.05 0.00 0.00 32.46 31.27 1fjg n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1fjg n GLY 87 N 0.30 -3.57 0.00 2.89 0.00 -1.25 -4.78 105.19 98.77 1fjg n GLY 87 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1fjg n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjg n GLY 88 N -0.40 2.11 3.32 -0.02 0.00 0.30 -4.35 105.19 106.15 1fjg n GLY 88 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1fjg n GLY 88 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fjg s ARG 89 N -0.34 -2.69 -0.40 1.61 1.70 -1.21 -2.56 118.95 115.05 1fjg s ARG 89 Ca 0.00 0.27 0.06 0.00 -0.47 0.00 0.00 55.73 55.59 1fjg s ARG 89 Cb 0.00 -1.39 0.21 0.00 -0.57 0.00 0.00 34.95 33.20 1fjg s ARG 89 CO 0.00 -4.75 0.44 0.28 -1.08 0.00 0.00 175.30 170.19 1fjg n VAL 90 N -5.57 -0.94 0.00 4.99 0.31 -0.73 -4.83 118.33 111.57 1fjg n VAL 90 Ca 0.11 -3.63 0.00 0.00 -0.01 0.00 0.00 64.34 60.81 1fjg n VAL 90 Cb 0.59 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 1fjg n VAL 90 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1fjg n LYS 91 N 2.15 0.00 0.27 5.55 3.00 -1.26 0.11 118.16 127.98 1fjg n LYS 91 Ca 0.25 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.72 1fjg n LYS 91 Cb 0.51 0.00 0.70 0.00 0.00 0.00 0.00 35.03 36.23 1fjg n LYS 91 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1fjg h ASP 92 N 0.00 0.00 -3.94 3.14 5.19 -1.97 -3.39 116.42 115.45 1fjg h ASP 92 Ca 0.00 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.76 1fjg h ASP 92 Cb 0.00 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.11 1fjg h ASP 92 CO 0.00 0.06 -0.68 -0.76 -3.12 0.00 0.00 179.24 174.73 1fjg s LEU 93 N -6.42 4.61 0.51 1.55 1.43 0.30 -1.83 118.68 118.83 1fjg s LEU 93 Ca 0.00 -2.47 -0.23 0.00 -1.03 0.00 0.00 54.13 50.40 1fjg s LEU 93 Cb 0.10 -1.64 -0.06 0.00 0.03 0.00 0.00 46.19 44.62 1fjg s LEU 93 CO 0.55 -0.33 1.37 -2.65 0.23 0.00 0.00 176.35 175.53 1fjg n PRO 94 N 3.84 1.88 0.00 1.29 -0.02 -1.26 -1.84 135.00 138.88 1fjg n PRO 94 Ca 0.04 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1fjg n PRO 94 Cb 0.38 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1fjg n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fjg n GLY 95 N 0.71 3.09 3.50 -1.23 0.00 -1.26 -5.00 105.19 105.00 1fjg n GLY 95 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1fjg n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fjg s VAL 96 N -2.76 4.51 -0.56 1.61 1.01 -0.77 -4.71 120.40 118.73 1fjg s VAL 96 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.12 1fjg s VAL 96 Cb 0.00 -4.48 0.10 0.00 0.00 0.00 0.00 36.38 32.00 1fjg s VAL 96 CO 0.00 -1.04 0.92 0.54 0.00 0.00 0.00 175.10 175.53 1fjg n ARG 97 N 7.14 1.52 -3.96 2.72 1.74 -1.26 -1.77 116.66 122.80 1fjg n ARG 97 Ca -0.00 -1.35 -0.09 0.00 -0.77 0.00 0.00 57.85 55.63 1fjg n ARG 97 Cb 0.47 -1.12 -0.10 0.00 -1.02 0.00 0.00 32.46 30.69 1fjg n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1fjg s TYR 98 N -0.76 0.23 0.13 -1.55 1.51 -1.06 -0.54 117.35 115.31 1fjg s TYR 98 Ca 0.09 -0.50 0.05 0.00 -1.01 0.00 0.00 57.07 55.70 1fjg s TYR 98 Cb 0.05 -0.17 -0.04 0.00 -0.11 0.00 0.00 41.96 41.69 1fjg s TYR 98 CO 0.07 -0.28 0.05 -1.01 -1.11 0.00 0.00 175.55 173.28 1fjg s HIS 99 N -2.04 3.04 0.19 2.71 3.76 -1.25 -0.87 115.29 120.84 1fjg s HIS 99 Ca -0.10 -0.03 -0.15 0.00 -0.15 0.00 0.00 55.06 54.62 1fjg s HIS 99 Cb -0.05 -1.51 -0.08 0.00 1.11 0.00 0.00 32.58 32.06 1fjg s HIS 99 CO -0.02 0.51 0.62 0.42 -0.85 0.00 0.00 174.74 175.41 1fjg s ILE 100 N -1.55 4.77 -0.34 0.60 1.01 0.44 -0.81 121.20 125.32 1fjg s ILE 100 Ca 0.28 0.92 -0.18 0.00 0.00 0.00 0.00 60.65 61.68 1fjg s ILE 100 Cb -0.11 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 1fjg s ILE 100 CO 0.21 0.15 0.49 -0.69 0.00 0.00 0.00 174.94 175.10 1fjg s VAL 101 N -1.58 5.04 0.16 2.92 1.01 0.14 -4.66 120.40 123.44 1fjg s VAL 101 Ca 0.42 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 1fjg s VAL 101 Cb -0.14 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 1fjg s VAL 101 CO 0.20 -0.16 0.98 -0.13 0.00 0.00 0.00 175.10 175.99 1fjg s ARG 102 N 2.33 4.72 0.00 2.72 0.52 -1.26 -3.32 118.95 124.66 1fjg s ARG 102 Ca 0.18 1.52 0.00 0.00 -0.52 0.00 0.00 55.73 56.91 1fjg s ARG 102 Cb -0.16 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 31.99 1fjg s ARG 102 CO 0.13 0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.13 1fjg n GLY 103 N 1.98 0.67 3.12 -3.53 0.00 -0.03 -3.17 105.19 104.23 1fjg n GLY 103 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1fjg n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fjg s VAL 104 N -2.00 1.36 0.00 1.61 1.01 -1.20 -4.93 120.40 116.25 1fjg s VAL 104 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1fjg s VAL 104 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1fjg s VAL 104 CO 0.00 0.39 0.00 -1.22 0.00 0.00 0.00 175.10 174.27 1fjg n TYR 105 N 3.12 0.00 1.64 5.22 0.53 -1.26 -2.53 117.16 123.88 1fjg n TYR 105 Ca -0.18 0.00 0.03 0.00 -1.02 0.00 0.00 57.90 56.73 1fjg n TYR 105 Cb 0.53 0.07 0.16 0.00 -1.03 0.00 0.00 39.34 39.07 1fjg n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1fjg n ASP 106 N -0.46 0.00 -4.39 7.72 10.43 -1.05 -4.59 116.55 124.21 1fjg n ASP 106 Ca 0.00 -1.47 -0.44 0.00 2.57 0.00 0.00 54.79 55.44 1fjg n ASP 106 Cb 0.00 0.00 -0.05 0.00 1.84 0.00 0.00 41.12 42.91 1fjg n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1fjg s ALA 107 N -2.00 3.40 0.68 2.24 0.00 -1.05 -4.77 121.76 120.26 1fjg s ALA 107 Ca 0.08 -2.13 -0.16 0.00 0.00 0.00 0.00 51.96 49.75 1fjg s ALA 107 Cb 0.04 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1fjg s ALA 107 CO 0.06 -2.29 1.20 0.00 0.00 0.00 0.00 175.76 174.73 1fjg s ALA 108 N 2.70 2.30 0.53 0.00 0.00 -1.26 -0.85 121.76 125.19 1fjg s ALA 108 Ca 0.12 0.89 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 1fjg s ALA 108 Cb -0.23 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.37 1fjg s ALA 108 CO 0.07 -1.57 0.99 0.20 0.00 0.00 0.00 175.76 175.45 1fjg s GLY 109 N -1.94 2.00 0.23 0.00 0.00 -1.26 -4.00 107.32 102.34 1fjg s GLY 109 Ca 0.75 0.14 -0.31 0.00 0.00 0.00 0.00 44.72 45.29 1fjg s GLY 109 CO 0.41 0.41 1.22 -0.62 0.00 0.00 0.00 173.10 174.52 1fjg n VAL 110 N -1.75 1.18 -3.17 1.40 0.31 -0.88 -4.90 118.33 110.53 1fjg n VAL 110 Ca 0.06 -0.30 -0.39 0.00 -0.01 0.00 0.00 64.34 63.71 1fjg n VAL 110 Cb 0.54 -1.13 -0.06 0.00 -0.91 0.00 0.00 33.84 32.29 1fjg n VAL 110 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1fjg s LYS 111 N -0.69 4.34 0.00 5.55 1.02 -1.26 -3.89 119.74 124.80 1fjg s LYS 111 Ca 0.68 0.84 0.00 0.00 0.02 0.00 0.00 55.97 57.51 1fjg s LYS 111 Cb -0.74 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.27 1fjg s LYS 111 CO 0.53 0.48 0.00 -0.25 -0.92 0.00 0.00 175.35 175.19 1fjg n ASP 112 N 2.23 0.00 -4.67 2.83 10.43 -1.26 -4.98 116.55 121.13 1fjg n ASP 112 Ca -0.07 0.00 -0.52 0.00 2.57 0.00 0.00 54.79 56.77 1fjg n ASP 112 Cb 0.50 -0.01 -0.06 0.00 1.84 0.00 0.00 41.12 43.40 1fjg n ASP 112 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1fjg n ARG 113 N -2.00 1.64 -0.00 -1.24 5.12 -1.25 -4.86 116.66 114.06 1fjg n ARG 113 Ca 0.00 0.60 0.02 0.00 -1.93 0.00 0.00 57.85 56.54 1fjg n ARG 113 Cb 0.00 -2.34 -0.02 0.00 -1.16 0.00 0.00 32.46 28.94 1fjg n ARG 113 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1fjg n LYS 114 N 4.87 3.53 0.00 5.56 5.02 -1.26 -4.92 118.16 130.95 1fjg n LYS 114 Ca 0.22 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1fjg n LYS 114 Cb 0.22 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 1fjg n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1fjg n LYS 115 N -1.30 0.00 -0.73 1.97 5.02 -1.26 -4.79 118.16 117.06 1fjg n LYS 115 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1fjg n LYS 115 Cb 0.07 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.99 1fjg n LYS 115 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1fjg n SER 116 N 0.00 1.60 0.14 4.39 7.64 -1.26 -4.54 113.62 121.58 1fjg n SER 116 Ca 0.00 -2.55 0.04 0.00 1.01 0.00 0.00 58.87 57.37 1fjg n SER 116 Cb 0.00 -0.74 0.04 0.00 -1.01 0.00 0.00 64.21 62.50 1fjg n SER 116 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1fjg h ARG 117 N 9.10 0.00 -0.83 1.43 3.08 -1.88 -3.24 114.38 122.04 1fjg h ARG 117 Ca 0.32 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.56 1fjg h ARG 117 Cb 0.66 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.59 1fjg h ARG 117 CO 1.98 0.40 0.29 1.03 -1.07 0.00 0.00 179.97 182.60 1fjg h SER 118 N 0.00 0.17 -3.51 7.04 0.87 -1.85 -2.37 113.55 113.90 1fjg h SER 118 Ca -0.02 0.15 -0.52 0.00 -1.23 0.00 0.00 61.79 60.17 1fjg h SER 118 Cb 1.33 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 63.43 1fjg h SER 118 CO 0.05 -0.02 -0.06 -0.54 -0.53 0.00 0.00 176.83 175.73 1fjg s LYS 119 N -5.96 3.84 0.00 2.24 1.02 -1.22 -3.50 119.74 116.16 1fjg s LYS 119 Ca -0.12 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1fjg s LYS 119 Cb 0.23 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1fjg s LYS 119 CO 0.77 0.27 0.00 0.66 -0.92 0.00 0.00 175.35 176.12 1fjg n TYR 120 N -0.25 0.00 -3.07 3.18 0.53 -1.25 -4.54 117.16 111.77 1fjg n TYR 120 Ca 0.01 0.00 -0.04 0.00 -1.02 0.00 0.00 57.90 56.85 1fjg n TYR 120 Cb 0.53 -0.02 -0.01 0.00 -1.03 0.00 0.00 39.34 38.81 1fjg n TYR 120 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1fjg n GLY 121 N -2.78 -0.04 3.46 2.72 0.00 -0.91 -2.06 105.19 105.58 1fjg n GLY 121 Ca 0.00 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1fjg n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fjg s THR 122 N -3.73 4.15 0.92 2.61 -4.23 -1.11 -4.36 115.64 109.88 1fjg s THR 122 Ca 0.02 -0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.17 1fjg s THR 122 Cb -0.01 -2.90 0.07 0.00 1.34 0.00 0.00 72.50 71.00 1fjg s THR 122 CO 0.11 0.40 0.68 0.29 -0.54 0.00 0.00 174.62 175.56 1fjg n LYS 123 N 4.40 -0.28 -2.08 3.99 4.76 -1.26 -4.74 118.16 122.95 1fjg n LYS 123 Ca -0.17 -0.03 -0.41 0.00 -2.87 0.00 0.00 58.31 54.83 1fjg n LYS 123 Cb 0.52 -2.04 -0.03 0.00 -1.84 0.00 0.00 35.03 31.64 1fjg n LYS 123 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1fjg s LYS 124 N -3.91 4.30 0.57 1.97 2.47 -1.26 -4.96 119.74 118.93 1fjg s LYS 124 Ca 0.61 2.21 -0.20 0.00 -1.56 0.00 0.00 55.97 57.03 1fjg s LYS 124 Cb -0.23 -3.15 -0.04 0.00 -1.46 0.00 0.00 37.83 32.95 1fjg s LYS 124 CO 0.63 -0.38 1.31 -2.14 0.16 0.00 0.00 175.35 174.92 1fjg s PRO 125 N -0.08 3.00 -0.87 4.03 0.02 -1.26 -4.88 135.00 134.96 1fjg s PRO 125 Ca 0.60 2.10 -0.06 0.00 0.02 0.00 0.00 61.00 63.66 1fjg s PRO 125 Cb -0.40 -2.11 -0.01 0.00 0.02 0.00 0.00 34.50 32.00 1fjg s PRO 125 CO 0.40 -1.26 2.86 1.63 -0.33 0.00 0.00 177.00 180.29 1fjg n LYS 126 N -1.30 3.28 0.08 5.54 5.02 -1.26 -4.34 118.16 125.18 1fjg n LYS 126 Ca 0.12 -2.41 -0.07 0.00 -2.02 0.00 0.00 58.31 53.93 1fjg n LYS 126 Cb 0.47 -2.40 0.07 0.00 -0.02 0.00 0.00 35.03 33.14 1fjg n LYS 126 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1fjg h GLU 127 N 3.90 0.22 0.00 1.97 5.08 -2.03 -2.39 114.58 121.33 1fjg h GLU 127 Ca 0.55 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1fjg h GLU 127 Cb 0.66 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1fjg h GLU 127 CO 1.12 0.85 0.07 0.00 -1.00 0.00 0.00 179.01 180.05 1fjg n ALA 128 N -2.47 0.93 1.83 3.43 0.00 -1.26 -5.34 120.51 117.63 1fjg n ALA 128 Ca -0.03 0.15 0.15 0.00 0.00 0.00 0.00 53.44 53.71 1fjg n ALA 128 Cb 0.69 -1.13 0.87 0.00 0.00 0.00 0.00 19.45 19.89 1fjg n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50