#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibl s THR 6 N 0.00 4.76 0.19 3.45 -4.23 -1.26 -4.86 115.64 113.70 1ibl s THR 6 Ca 0.00 0.69 -0.12 0.00 -1.18 0.00 0.00 61.69 61.08 1ibl s THR 6 Cb 0.00 -3.86 0.11 0.00 1.34 0.00 0.00 72.50 70.09 1ibl s THR 6 CO 0.00 -1.04 1.73 0.40 -0.54 0.00 0.00 174.62 175.17 1ibl h ILE 7 N -0.12 0.76 -0.70 2.99 1.08 -2.05 0.58 117.51 120.05 1ibl h ILE 7 Ca -0.45 -0.10 0.07 0.00 -0.39 0.00 0.00 64.86 63.99 1ibl h ILE 7 Cb 1.19 0.44 -0.06 0.00 -3.07 0.00 0.00 36.82 35.32 1ibl h ILE 7 CO 0.62 0.05 0.38 -1.13 -0.69 0.00 0.00 178.15 177.38 1ibl h ASN 8 N 0.30 0.54 -0.63 1.72 -1.24 -1.99 0.32 115.58 114.60 1ibl h ASN 8 Ca 0.26 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.29 1ibl h ASN 8 Cb 0.32 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.28 1ibl h ASN 8 CO -0.30 0.33 0.34 1.56 -1.29 0.00 0.00 177.43 178.08 1ibl h GLN 9 N 0.68 0.89 -0.59 6.67 4.20 -1.53 0.84 115.11 126.26 1ibl h GLN 9 Ca 0.33 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 1ibl h GLN 9 Cb 0.27 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1ibl h GLN 9 CO -0.22 0.68 0.26 -0.07 -0.67 0.00 0.00 178.83 178.81 1ibl h LEU 10 N 0.86 0.77 -0.74 1.46 3.38 0.60 0.33 115.31 121.98 1ibl h LEU 10 Ca 0.22 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1ibl h LEU 10 Cb 0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1ibl h LEU 10 CO -0.03 0.68 -0.04 0.58 0.09 0.00 0.00 178.44 179.71 1ibl h VAL 11 N 0.84 1.26 -0.14 1.22 2.07 0.70 0.32 116.25 122.52 1ibl h VAL 11 Ca 0.20 -1.14 -0.17 0.00 0.82 0.00 0.00 66.70 66.42 1ibl h VAL 11 Cb 0.13 0.90 0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1ibl h VAL 11 CO -0.02 0.40 -0.56 0.03 0.02 0.00 0.00 177.57 177.44 1ibl h ARG 12 N 0.84 0.63 0.00 1.57 3.08 0.59 -3.40 114.38 117.68 1ibl h ARG 12 Ca 0.15 -0.49 -0.09 0.00 0.07 0.00 0.00 59.98 59.62 1ibl h ARG 12 Cb 0.55 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1ibl h ARG 12 CO 0.03 1.11 -1.34 1.63 -1.07 0.00 0.00 179.97 180.33 1ibl n LYS 13 N -4.15 3.18 -0.95 0.04 5.02 0.10 -5.09 118.16 116.31 1ibl n LYS 13 Ca -0.07 -0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.34 1ibl n LYS 13 Cb 0.63 -1.13 -0.04 0.00 -0.02 0.00 0.00 35.03 34.47 1ibl n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibl n GLY 14 N 2.69 -2.14 3.87 0.72 0.00 0.11 -4.85 105.19 105.60 1ibl n GLY 14 Ca -0.08 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 1ibl n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibl s ARG 15 N -2.45 3.80 -0.27 1.61 1.81 -1.26 -4.96 118.95 117.22 1ibl s ARG 15 Ca 0.00 0.27 -0.18 0.00 -1.72 0.00 0.00 55.73 54.10 1ibl s ARG 15 Cb 0.00 -2.64 -0.02 0.00 -0.45 0.00 0.00 34.95 31.83 1ibl s ARG 15 CO 0.00 0.31 0.51 -2.00 -0.68 0.00 0.00 175.30 173.45 1ibl s GLU 16 N -2.84 4.01 0.68 3.54 2.12 -1.26 -5.06 118.70 119.89 1ibl s GLU 16 Ca 0.47 0.25 -0.15 0.00 0.36 0.00 0.00 54.97 55.90 1ibl s GLU 16 Cb -0.11 -3.67 0.01 0.00 0.26 0.00 0.00 34.13 30.62 1ibl s GLU 16 CO 0.21 -0.39 1.16 0.15 -0.54 0.00 0.00 175.26 175.85 1ibl s LYS 17 N 2.33 2.51 -0.01 4.30 1.02 -1.26 -4.99 119.74 123.64 1ibl s LYS 17 Ca 0.21 1.61 -0.26 0.00 0.02 0.00 0.00 55.97 57.55 1ibl s LYS 17 Cb -0.16 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 1ibl s LYS 17 CO 0.10 -1.52 0.80 0.08 -0.92 0.00 0.00 175.35 173.90 1ibl s VAL 18 N -2.09 4.89 -0.30 3.17 1.01 -1.26 -5.04 120.40 120.78 1ibl s VAL 18 Ca 0.71 1.69 -0.09 0.00 0.00 0.00 0.00 61.98 64.29 1ibl s VAL 18 Cb -0.25 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 1ibl s VAL 18 CO 0.42 0.26 0.14 -0.13 0.00 0.00 0.00 175.10 175.79 1ibl s ARG 19 N 0.59 3.43 0.02 2.72 0.52 -1.26 -5.07 118.95 119.91 1ibl s ARG 19 Ca 0.42 -0.65 -0.30 0.00 -0.52 0.00 0.00 55.73 54.68 1ibl s ARG 19 Cb -0.20 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.71 1ibl s ARG 19 CO 0.23 -0.36 0.99 0.15 0.02 0.00 0.00 175.30 176.33 1ibl s LYS 20 N 1.62 4.58 -0.25 3.54 1.02 -1.26 -5.03 119.74 123.96 1ibl s LYS 20 Ca 0.05 1.45 -0.12 0.00 0.02 0.00 0.00 55.97 57.36 1ibl s LYS 20 Cb -0.17 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 1ibl s LYS 20 CO 0.06 -0.01 0.24 0.15 -0.92 0.00 0.00 175.35 174.87 1ibl s LYS 21 N 0.82 4.05 0.41 1.68 1.02 -1.26 -5.07 119.74 121.38 1ibl s LYS 21 Ca 0.51 -0.16 -0.26 0.00 0.02 0.00 0.00 55.97 56.09 1ibl s LYS 21 Cb -0.22 -3.59 -0.08 0.00 -0.52 0.00 0.00 37.83 33.42 1ibl s LYS 21 CO 0.28 -0.07 1.25 0.45 -0.92 0.00 0.00 175.35 176.34 1ibl s SER 22 N 1.34 6.36 -0.27 2.83 0.15 -1.26 -4.91 113.70 117.94 1ibl s SER 22 Ca 0.10 2.53 0.11 0.00 0.70 0.00 0.00 55.95 59.40 1ibl s SER 22 Cb -0.15 -2.63 0.57 0.00 -1.71 0.00 0.00 66.02 62.10 1ibl s SER 22 CO 0.08 -0.80 1.55 0.29 1.20 0.00 0.00 173.24 175.55 1ibl n LYS 23 N 0.08 2.57 -2.85 5.44 5.02 -1.26 -4.72 118.16 122.44 1ibl n LYS 23 Ca 0.04 -3.04 -0.12 0.00 -2.02 0.00 0.00 58.31 53.18 1ibl n LYS 23 Cb 0.45 -1.93 0.03 0.00 -0.02 0.00 0.00 35.03 33.57 1ibl n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ibl n VAL 24 N -0.75 -0.13 -0.77 -0.18 0.31 -1.26 -4.98 118.33 110.57 1ibl n VAL 24 Ca 0.33 -2.14 -0.21 0.00 -0.01 0.00 0.00 64.34 62.31 1ibl n VAL 24 Cb 1.10 0.81 -0.03 0.00 -0.91 0.00 0.00 33.84 34.81 1ibl n VAL 24 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1ibl n PRO 25 N 1.20 2.10 0.00 5.55 -0.02 -1.26 -3.63 135.00 138.93 1ibl n PRO 25 Ca 0.11 -1.39 0.04 0.00 -2.02 0.00 0.00 63.50 60.25 1ibl n PRO 25 Cb 0.63 -2.38 0.25 0.00 -0.02 0.00 0.00 33.50 31.98 1ibl n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ibl n ALA 26 N 3.91 1.93 -1.45 3.55 0.00 -1.26 -4.87 120.51 122.32 1ibl n ALA 26 Ca 0.45 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.84 1ibl n ALA 26 Cb 0.21 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 1ibl n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ibl n LEU 27 N -0.84 -1.27 0.00 0.00 7.94 -1.24 -4.60 117.00 116.99 1ibl n LEU 27 Ca 0.06 2.19 0.00 0.00 -1.11 0.00 0.00 56.01 57.15 1ibl n LEU 27 Cb 0.03 -2.83 0.00 0.00 0.53 0.00 0.00 43.42 41.15 1ibl n LEU 27 CO 0.05 -0.71 0.00 1.17 -1.11 0.00 0.00 177.39 176.79 1ibl n LYS 28 N -2.59 -1.53 0.00 1.96 4.81 -1.26 -3.00 118.16 116.55 1ibl n LYS 28 Ca -0.01 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1ibl n LYS 28 Cb 0.39 -4.58 0.00 0.00 0.02 0.00 0.00 35.03 30.85 1ibl n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ibl n GLY 29 N 0.11 0.00 0.08 3.14 0.00 -1.26 -4.77 105.19 102.48 1ibl n GLY 29 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1ibl n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibl n ALA 30 N 0.56 -1.34 -0.20 4.61 0.00 -1.16 -4.68 120.51 118.31 1ibl n ALA 30 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 1ibl n ALA 30 Cb 0.00 -0.04 0.56 0.00 0.00 0.00 0.00 19.45 19.97 1ibl n ALA 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ibl h PRO 31 N 0.01 0.31 -3.34 0.00 0.11 -1.92 -3.44 132.00 123.73 1ibl h PRO 31 Ca -0.01 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1ibl h PRO 31 Cb 0.03 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.00 1ibl h PRO 31 CO 0.01 0.20 0.04 -0.06 -0.21 0.00 0.00 178.00 177.99 1ibl s PHE 32 N -5.32 0.06 -0.01 0.65 0.08 -1.26 -4.74 117.98 107.43 1ibl s PHE 32 Ca -0.07 -0.46 -0.05 0.00 0.12 0.00 0.00 56.93 56.46 1ibl s PHE 32 Cb 0.22 0.42 0.00 0.00 -0.57 0.00 0.00 43.02 43.09 1ibl s PHE 32 CO 0.77 -1.07 0.11 0.50 -0.10 0.00 0.00 175.22 175.43 1ibl s ARG 33 N -3.95 0.36 0.20 0.44 6.06 -1.05 -5.01 118.95 116.01 1ibl s ARG 33 Ca 0.16 -0.25 0.07 0.00 -2.50 0.00 0.00 55.73 53.20 1ibl s ARG 33 Cb -0.03 0.15 -0.04 0.00 0.06 0.00 0.00 34.95 35.09 1ibl s ARG 33 CO 0.06 -0.08 0.10 -0.98 -2.50 0.00 0.00 175.30 171.90 1ibl s ARG 34 N -0.95 2.69 0.00 5.12 1.70 -1.26 -0.47 118.95 125.78 1ibl s ARG 34 Ca -0.10 -1.06 0.00 0.00 -0.47 0.00 0.00 55.73 54.10 1ibl s ARG 34 Cb -0.06 -2.48 0.00 0.00 -0.57 0.00 0.00 34.95 31.84 1ibl s ARG 34 CO 0.01 0.44 0.00 0.41 -1.08 0.00 0.00 175.30 175.08 1ibl n GLY 35 N -0.57 1.91 3.20 3.88 0.00 -0.66 -0.40 105.19 112.54 1ibl n GLY 35 Ca -0.08 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 1ibl n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibl s VAL 36 N -2.93 1.41 0.37 1.61 1.01 -1.03 -0.65 120.40 120.19 1ibl s VAL 36 Ca 0.00 -1.07 -0.26 0.00 0.00 0.00 0.00 61.98 60.65 1ibl s VAL 36 Cb 0.00 -1.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.05 1ibl s VAL 36 CO 0.00 0.14 1.12 0.00 0.00 0.00 0.00 175.10 176.36 1ibl n THR 38 N 0.35 0.39 -4.02 0.00 -1.04 0.75 -3.82 114.28 106.90 1ibl n THR 38 Ca 0.03 -0.22 -0.10 0.00 -2.04 0.00 0.00 64.05 61.73 1ibl n THR 38 Cb 0.47 -0.82 -0.08 0.00 -1.82 0.00 0.00 70.33 68.08 1ibl n THR 38 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ibl s VAL 39 N -2.14 0.07 -0.41 12.58 1.01 -1.21 -4.75 120.40 125.56 1ibl s VAL 39 Ca -0.05 -1.56 0.09 0.00 0.00 0.00 0.00 61.98 60.46 1ibl s VAL 39 Cb 0.02 -1.93 0.31 0.00 0.00 0.00 0.00 36.38 34.77 1ibl s VAL 39 CO 0.21 -0.33 0.79 0.52 0.00 0.00 0.00 175.10 176.30 1ibl n VAL 40 N -0.19 -0.23 -1.12 2.92 0.31 -1.26 -2.64 118.33 116.12 1ibl n VAL 40 Ca -0.06 -3.41 -0.30 0.00 -0.01 0.00 0.00 64.34 60.55 1ibl n VAL 40 Cb 0.63 -0.04 0.24 0.00 -0.91 0.00 0.00 33.84 33.76 1ibl n VAL 40 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1ibl s ARG 41 N -1.18 -1.23 0.36 5.55 3.52 -1.12 -4.85 118.95 120.00 1ibl s ARG 41 Ca 0.34 -0.11 0.09 0.00 -0.13 0.00 0.00 55.73 55.91 1ibl s ARG 41 Cb 0.28 -1.60 -0.06 0.00 -1.56 0.00 0.00 34.95 32.01 1ibl s ARG 41 CO -0.10 -3.70 -0.01 -0.08 -0.81 0.00 0.00 175.30 170.59 1ibl s THR 42 N -3.05 2.36 -0.18 4.11 -1.32 -1.26 -2.60 115.64 113.69 1ibl s THR 42 Ca 0.71 -2.03 -0.27 0.00 -1.21 0.00 0.00 61.69 58.88 1ibl s THR 42 Cb -0.09 -2.80 0.07 0.00 -1.51 0.00 0.00 72.50 68.18 1ibl s THR 42 CO 0.56 -0.15 0.71 -0.69 -2.21 0.00 0.00 174.62 172.83 1ibl s VAL 43 N -2.59 0.00 0.27 5.08 1.01 0.79 -4.88 120.40 120.08 1ibl s VAL 43 Ca 0.35 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.13 1ibl s VAL 43 Cb 0.03 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.32 1ibl s VAL 43 CO 0.18 0.00 0.77 0.42 0.00 0.00 0.00 175.10 176.47 1ibl s THR 44 N -0.25 4.53 1.07 3.92 -4.23 -1.26 0.31 115.64 119.72 1ibl s THR 44 Ca -0.04 1.30 -0.16 0.00 -1.18 0.00 0.00 61.69 61.61 1ibl s THR 44 Cb -0.03 -3.81 0.22 0.00 1.34 0.00 0.00 72.50 70.22 1ibl s THR 44 CO 0.05 0.09 1.14 -2.84 -0.54 0.00 0.00 174.62 172.51 1ibl s PRO 45 N -2.26 -0.12 0.00 3.99 0.02 -1.26 -4.85 135.00 130.52 1ibl s PRO 45 Ca 0.47 0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.60 1ibl s PRO 45 Cb -0.15 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.66 1ibl s PRO 45 CO 0.20 -3.02 0.00 0.36 -0.33 0.00 0.00 177.00 174.22 1ibl n LYS 46 N -4.30 3.01 0.00 5.54 2.85 -0.88 -4.87 118.16 119.51 1ibl n LYS 46 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 1ibl n LYS 46 Cb 0.59 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.97 1ibl n LYS 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1ibl n LYS 47 N 0.00 0.00 0.00 -1.58 4.81 -1.26 -1.52 118.16 118.61 1ibl n LYS 47 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ibl n LYS 47 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1ibl n LYS 47 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1ibl n PRO 48 N 0.00 1.42 -3.25 1.64 -0.04 -1.26 -5.06 135.00 128.45 1ibl n PRO 48 Ca 0.00 -0.99 -0.23 0.00 -0.04 0.00 0.00 63.50 62.24 1ibl n PRO 48 Cb 0.00 -0.84 -0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1ibl n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ibl s ASN 49 N -0.52 6.11 -0.01 3.54 0.02 -0.57 -5.11 114.94 118.39 1ibl s ASN 49 Ca 0.00 0.35 -0.00 0.00 -1.02 0.00 0.00 52.86 52.19 1ibl s ASN 49 Cb 0.00 -1.80 0.01 0.00 0.02 0.00 0.00 41.25 39.49 1ibl s ASN 49 CO 0.00 -0.45 0.01 -0.55 0.02 0.00 0.00 177.10 176.14 1ibl s SER 50 N -4.11 0.03 0.00 -1.22 0.15 -1.26 -4.29 113.70 103.00 1ibl s SER 50 Ca 0.43 0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1ibl s SER 50 Cb -0.10 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 1ibl s SER 50 CO 0.36 -0.06 0.00 0.00 1.20 0.00 0.00 173.24 174.74 1ibl n ALA 51 N 3.60 0.00 -3.68 5.45 0.00 -1.26 -4.92 120.51 119.69 1ibl n ALA 51 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.96 1ibl n ALA 51 Cb 0.55 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 1ibl n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ibl s LEU 52 N 0.00 2.80 0.35 0.00 1.43 -1.26 -4.05 118.68 117.96 1ibl s LEU 52 Ca 0.00 -2.92 -0.27 0.00 -1.03 0.00 0.00 54.13 49.91 1ibl s LEU 52 Cb 0.00 -1.02 -0.09 0.00 0.03 0.00 0.00 46.19 45.11 1ibl s LEU 52 CO 0.00 -0.22 1.15 -0.13 0.23 0.00 0.00 176.35 177.38 1ibl s ARG 53 N -0.01 4.31 0.06 1.70 0.52 0.15 -4.60 118.95 121.07 1ibl s ARG 53 Ca 0.22 1.84 -0.23 0.00 -0.52 0.00 0.00 55.73 57.04 1ibl s ARG 53 Cb -0.15 -2.89 -0.06 0.00 0.52 0.00 0.00 34.95 32.37 1ibl s ARG 53 CO -0.06 -0.10 0.70 0.15 0.02 0.00 0.00 175.30 176.00 1ibl s LYS 54 N -1.97 4.42 0.06 3.54 3.01 -1.26 -0.15 119.74 127.40 1ibl s LYS 54 Ca 0.52 0.96 -0.09 0.00 -1.01 0.00 0.00 55.97 56.34 1ibl s LYS 54 Cb -0.31 -3.32 0.00 0.00 -1.01 0.00 0.00 37.83 33.19 1ibl s LYS 54 CO 0.40 0.42 0.20 0.08 0.51 0.00 0.00 175.35 176.96 1ibl s VAL 55 N -0.49 0.12 -0.02 3.17 1.01 -1.07 -2.73 120.40 120.39 1ibl s VAL 55 Ca 0.35 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1ibl s VAL 55 Cb -0.20 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1ibl s VAL 55 CO 0.22 -0.56 -0.08 0.00 0.00 0.00 0.00 175.10 174.68 1ibl s ALA 56 N -3.16 0.71 -0.48 5.51 0.00 0.16 -2.80 121.76 121.70 1ibl s ALA 56 Ca -0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 51.96 51.46 1ibl s ALA 56 Cb 0.02 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.94 1ibl s ALA 56 CO -0.07 0.13 0.64 0.15 0.00 0.00 0.00 175.76 176.61 1ibl s LYS 57 N 0.06 3.19 -0.12 0.00 -0.14 -1.08 0.75 119.74 122.41 1ibl s LYS 57 Ca -0.01 -0.64 -0.02 0.00 -1.36 0.00 0.00 55.97 53.94 1ibl s LYS 57 Cb -0.06 -4.03 -0.03 0.00 -1.68 0.00 0.00 37.83 32.03 1ibl s LYS 57 CO -0.00 -1.13 -0.03 0.08 -0.76 0.00 0.00 175.35 173.51 1ibl s VAL 58 N 2.76 4.02 -0.60 3.17 1.01 0.23 -0.18 120.40 130.82 1ibl s VAL 58 Ca 0.19 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 1ibl s VAL 58 Cb -0.17 -2.72 0.12 0.00 0.00 0.00 0.00 36.38 33.62 1ibl s VAL 58 CO 0.15 0.55 0.64 -0.60 0.00 0.00 0.00 175.10 175.84 1ibl s ARG 59 N -0.24 3.07 0.81 2.72 3.52 -0.07 0.73 118.95 129.49 1ibl s ARG 59 Ca 0.05 -1.56 -0.11 0.00 -0.13 0.00 0.00 55.73 53.97 1ibl s ARG 59 Cb -0.13 -4.31 0.08 0.00 -1.56 0.00 0.00 34.95 29.04 1ibl s ARG 59 CO 0.02 -1.45 1.13 -0.51 -0.81 0.00 0.00 175.30 173.68 1ibl s LEU 60 N 2.10 3.03 0.37 -0.88 2.01 0.58 -2.48 118.68 123.42 1ibl s LEU 60 Ca 0.09 2.05 0.27 0.00 0.01 0.00 0.00 54.13 56.55 1ibl s LEU 60 Cb -0.25 -4.55 0.91 0.00 0.01 0.00 0.00 46.19 42.30 1ibl s LEU 60 CO 0.04 -2.43 1.78 0.71 1.01 0.00 0.00 176.35 177.46 1ibl h THR 61 N -1.19 0.00 -0.46 5.49 1.35 -1.02 -2.63 112.91 114.45 1ibl h THR 61 Ca -0.44 -0.54 -0.28 0.00 -0.55 0.00 0.00 66.41 64.60 1ibl h THR 61 Cb 1.25 1.47 -0.14 0.00 -1.73 0.00 0.00 68.15 69.01 1ibl h THR 61 CO 0.48 0.00 0.36 -1.54 -0.25 0.00 0.00 175.52 174.57 1ibl n SER 62 N -2.67 5.10 -3.94 5.36 3.41 -1.26 -4.83 113.62 114.78 1ibl n SER 62 Ca 0.03 -2.91 -0.26 0.00 -0.26 0.00 0.00 58.87 55.47 1ibl n SER 62 Cb 0.37 -0.89 -0.01 0.00 -0.26 0.00 0.00 64.21 63.42 1ibl n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ibl n GLY 63 N 0.11 -0.25 3.34 5.00 0.00 -1.00 -4.97 105.19 107.41 1ibl n GLY 63 Ca 0.28 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 46.27 1ibl n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ibl s TYR 64 N -3.87 1.60 -0.38 1.61 1.51 -1.19 -4.95 117.35 111.68 1ibl s TYR 64 Ca 0.07 -0.81 0.01 0.00 -1.01 0.00 0.00 57.07 55.32 1ibl s TYR 64 Cb -0.04 -0.89 0.14 0.00 -0.11 0.00 0.00 41.96 41.06 1ibl s TYR 64 CO 0.88 0.08 0.22 -1.21 -1.11 0.00 0.00 175.55 174.42 1ibl s GLU 65 N -3.79 0.79 0.23 -0.62 8.01 -1.25 0.22 118.70 122.28 1ibl s GLU 65 Ca 0.26 -1.55 0.11 0.00 0.01 0.00 0.00 54.97 53.80 1ibl s GLU 65 Cb 0.04 -1.63 -0.05 0.00 -4.31 0.00 0.00 34.13 28.18 1ibl s GLU 65 CO 0.08 -1.20 -0.21 0.14 0.01 0.00 0.00 175.26 174.08 1ibl s VAL 66 N 0.83 2.30 -0.36 2.63 -7.23 0.22 -4.85 120.40 113.94 1ibl s VAL 66 Ca 0.18 -2.20 -0.23 0.00 -1.81 0.00 0.00 61.98 57.92 1ibl s VAL 66 Cb -0.23 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.56 1ibl s VAL 66 CO 0.01 -0.30 0.77 -0.89 -0.31 0.00 0.00 175.10 174.38 1ibl s THR 67 N -2.18 4.74 0.04 5.32 2.01 -1.26 0.74 115.64 125.05 1ibl s THR 67 Ca 0.24 0.87 0.05 0.00 0.31 0.00 0.00 61.69 63.16 1ibl s THR 67 Cb -0.06 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1ibl s THR 67 CO 0.11 -0.42 -0.08 0.00 -0.69 0.00 0.00 174.62 173.54 1ibl s ALA 68 N 3.07 2.98 0.69 7.40 0.00 0.23 -4.11 121.76 132.02 1ibl s ALA 68 Ca 0.31 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 51.06 1ibl s ALA 68 Cb -0.13 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 21.96 1ibl s ALA 68 CO 0.17 0.62 1.06 -0.47 0.00 0.00 0.00 175.76 177.14 1ibl s TYR 69 N -1.07 3.29 -0.34 0.00 5.04 -0.11 0.37 117.35 124.54 1ibl s TYR 69 Ca 0.19 0.96 0.01 0.00 -2.44 0.00 0.00 57.07 55.79 1ibl s TYR 69 Cb -0.11 -3.03 0.10 0.00 0.35 0.00 0.00 41.96 39.27 1ibl s TYR 69 CO 0.10 -1.14 0.10 0.42 -1.34 0.00 0.00 175.55 173.68 1ibl s ILE 70 N -3.30 1.49 0.58 3.14 1.01 -1.11 -1.68 121.20 121.34 1ibl s ILE 70 Ca 0.58 -1.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.16 1ibl s ILE 70 Cb -0.11 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1ibl s ILE 70 CO 0.50 -0.67 1.07 -2.16 0.00 0.00 0.00 174.94 173.68 1ibl s PRO 71 N 1.20 3.32 0.00 2.79 0.04 -1.26 -4.68 135.00 136.40 1ibl s PRO 71 Ca 0.11 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1ibl s PRO 71 Cb -0.19 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1ibl s PRO 71 CO -0.16 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.47 1ibl n GLY 72 N -0.74 0.73 0.00 0.56 0.00 -1.26 -4.88 105.19 99.60 1ibl n GLY 72 Ca 0.09 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1ibl n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ibl n GLU 73 N 0.99 0.00 -4.47 1.61 -0.58 -1.26 -4.91 120.64 112.01 1ibl n GLU 73 Ca 0.00 0.04 -0.23 0.00 -0.42 0.00 0.00 57.16 56.55 1ibl n GLU 73 Cb 0.00 -0.74 -0.10 0.00 -0.57 0.00 0.00 31.44 30.02 1ibl n GLU 73 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1ibl s GLY 74 N 0.00 1.96 0.00 0.62 0.00 -1.26 -5.08 107.32 103.55 1ibl s GLY 74 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 44.72 42.76 1ibl s GLY 74 CO 0.00 -1.92 0.00 -2.39 0.00 0.00 0.00 173.10 168.79 1ibl n HIS 75 N -0.66 0.00 -2.67 1.90 1.44 -1.26 -4.70 115.22 109.27 1ibl n HIS 75 Ca -0.05 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.61 1ibl n HIS 75 Cb 0.63 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.83 1ibl n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1ibl n ASN 76 N 0.00 -1.53 -4.71 4.39 6.94 -1.26 -5.04 115.26 114.05 1ibl n ASN 76 Ca 0.00 -2.16 -0.35 0.00 -0.02 0.00 0.00 54.58 52.05 1ibl n ASN 76 Cb 0.00 0.86 -0.09 0.00 -2.36 0.00 0.00 39.78 38.19 1ibl n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1ibl s LEU 77 N -3.05 3.82 0.35 -4.53 1.43 -1.26 -4.87 118.68 110.57 1ibl s LEU 77 Ca 0.14 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1ibl s LEU 77 Cb 0.33 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1ibl s LEU 77 CO -0.08 0.32 0.13 -1.10 0.23 0.00 0.00 176.35 175.85 1ibl s GLN 78 N -0.53 1.74 0.50 1.70 -0.21 -1.26 -4.92 119.66 116.68 1ibl s GLN 78 Ca 0.10 -2.02 0.03 0.00 0.02 0.00 0.00 55.36 53.50 1ibl s GLN 78 Cb -0.12 -0.46 0.18 0.00 1.00 0.00 0.00 33.01 33.61 1ibl s GLN 78 CO 0.02 -0.41 0.99 0.93 -2.12 0.00 0.00 175.29 174.70 1ibl h GLU 79 N 2.02 0.00 0.00 2.91 5.08 -1.85 0.16 114.58 122.90 1ibl h GLU 79 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1ibl h GLU 79 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1ibl h GLU 79 CO 0.57 0.00 -0.20 0.72 -1.00 0.00 0.00 179.01 179.10 1ibl n HIS 80 N -2.19 0.00 -2.18 4.33 8.25 -1.25 -4.00 115.22 118.19 1ibl n HIS 80 Ca -0.00 -0.39 -0.42 0.00 -0.26 0.00 0.00 57.72 56.65 1ibl n HIS 80 Cb 0.80 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.81 1ibl n HIS 80 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ibl s SER 81 N -1.47 6.79 0.15 0.41 0.01 0.57 -4.69 113.70 115.47 1ibl s SER 81 Ca 0.11 2.05 -0.30 0.00 1.31 0.00 0.00 55.95 59.12 1ibl s SER 81 Cb 0.09 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.71 1ibl s SER 81 CO 0.01 -0.82 0.98 -0.69 0.41 0.00 0.00 173.24 173.13 1ibl s VAL 82 N 3.43 4.29 0.08 3.43 1.01 -1.26 -0.70 120.40 130.68 1ibl s VAL 82 Ca 0.66 1.99 -0.08 0.00 0.00 0.00 0.00 61.98 64.54 1ibl s VAL 82 Cb -0.30 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 31.81 1ibl s VAL 82 CO 0.24 0.35 0.18 0.54 0.00 0.00 0.00 175.10 176.41 1ibl s VAL 83 N -0.28 0.14 -0.21 2.92 0.11 0.18 -1.74 120.40 121.52 1ibl s VAL 83 Ca 0.46 -1.17 -0.07 0.00 -2.93 0.00 0.00 61.98 58.26 1ibl s VAL 83 Cb -0.25 -1.30 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 1ibl s VAL 83 CO 0.31 -0.65 0.07 -0.22 -3.33 0.00 0.00 175.10 171.28 1ibl s LEU 84 N -2.79 3.67 0.04 2.54 2.96 -1.26 -1.66 118.68 122.18 1ibl s LEU 84 Ca 0.04 -0.03 -0.13 0.00 -0.22 0.00 0.00 54.13 53.79 1ibl s LEU 84 Cb 0.04 -1.95 -0.06 0.00 0.50 0.00 0.00 46.19 44.73 1ibl s LEU 84 CO -0.10 0.09 0.41 -0.63 -1.32 0.00 0.00 176.35 174.80 1ibl s ILE 85 N 0.86 5.05 0.00 6.68 1.01 0.38 -0.91 121.20 134.26 1ibl s ILE 85 Ca 0.04 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1ibl s ILE 85 Cb -0.14 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1ibl s ILE 85 CO 0.02 0.43 0.00 -2.11 0.00 0.00 0.00 174.94 173.28 1ibl n ARG 86 N 1.35 1.45 -0.36 2.79 1.85 0.19 -2.52 116.66 121.40 1ibl n ARG 86 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 1ibl n ARG 86 Cb 0.52 -0.95 0.00 0.00 -1.05 0.00 0.00 32.46 30.98 1ibl n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ibl n GLY 87 N 2.40 -3.28 0.00 2.89 0.00 -1.23 -4.80 105.19 101.17 1ibl n GLY 87 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1ibl n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibl n GLY 88 N 0.07 1.63 3.64 -0.02 0.00 0.11 -4.51 105.19 106.12 1ibl n GLY 88 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 1ibl n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibl s ARG 89 N 0.00 -0.81 -0.34 1.61 0.52 -1.13 -3.12 118.95 115.68 1ibl s ARG 89 Ca 0.00 -0.04 -0.00 0.00 -0.52 0.00 0.00 55.73 55.17 1ibl s ARG 89 Cb 0.00 -1.64 0.11 0.00 0.52 0.00 0.00 34.95 33.94 1ibl s ARG 89 CO 0.00 -3.44 0.13 0.08 0.02 0.00 0.00 175.30 172.09 1ibl s VAL 90 N -3.10 0.97 0.57 3.52 1.01 -0.84 -4.91 120.40 117.62 1ibl s VAL 90 Ca 0.70 -1.68 0.42 0.00 0.00 0.00 0.00 61.98 61.43 1ibl s VAL 90 Cb -0.10 -1.72 0.62 0.00 0.00 0.00 0.00 36.38 35.18 1ibl s VAL 90 CO 0.56 -0.74 1.57 0.50 0.00 0.00 0.00 175.10 176.99 1ibl h LYS 91 N 7.74 0.00 0.00 2.72 1.63 -1.97 -1.16 116.57 125.52 1ibl h LYS 91 Ca -0.10 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.60 1ibl h LYS 91 Cb 0.99 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.61 1ibl h LYS 91 CO 0.46 0.00 -1.06 -0.44 -3.45 0.00 0.00 179.45 174.96 1ibl h ASP 92 N 0.00 0.00 -4.18 4.20 5.19 -1.96 -3.42 116.42 116.24 1ibl h ASP 92 Ca 0.75 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 56.47 1ibl h ASP 92 Cb 3.25 0.00 -0.36 0.00 0.18 0.00 0.00 39.33 42.40 1ibl h ASP 92 CO -0.01 0.37 -0.38 -0.76 -3.12 0.00 0.00 179.24 175.34 1ibl s LEU 93 N -5.80 5.16 0.30 1.55 1.43 -0.44 -2.07 118.68 118.81 1ibl s LEU 93 Ca -0.00 -2.91 -0.29 0.00 -1.03 0.00 0.00 54.13 49.89 1ibl s LEU 93 Cb 0.08 -1.84 -0.13 0.00 0.03 0.00 0.00 46.19 44.34 1ibl s LEU 93 CO 0.79 -0.35 1.37 -2.65 0.23 0.00 0.00 176.35 175.74 1ibl n PRO 94 N 3.39 2.17 0.00 1.29 -0.02 -1.26 -2.01 135.00 138.56 1ibl n PRO 94 Ca 0.08 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1ibl n PRO 94 Cb 0.37 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1ibl n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ibl n GLY 95 N 1.37 0.70 3.02 -1.23 0.00 -1.26 -5.04 105.19 102.75 1ibl n GLY 95 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1ibl n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibl s VAL 96 N -2.00 2.18 -1.39 1.61 1.01 -0.85 -4.59 120.40 116.37 1ibl s VAL 96 Ca 0.00 -2.11 0.13 0.00 0.00 0.00 0.00 61.98 60.00 1ibl s VAL 96 Cb 0.00 -2.53 0.06 0.00 0.00 0.00 0.00 36.38 33.91 1ibl s VAL 96 CO 0.00 -0.45 0.82 0.54 0.00 0.00 0.00 175.10 176.01 1ibl n ARG 97 N 4.33 1.28 -4.14 2.72 1.74 -1.26 -1.99 116.66 119.34 1ibl n ARG 97 Ca -0.01 -1.01 -0.15 0.00 -0.77 0.00 0.00 57.85 55.91 1ibl n ARG 97 Cb 0.42 -1.20 -0.11 0.00 -1.02 0.00 0.00 32.46 30.54 1ibl n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ibl s TYR 98 N -1.27 0.99 0.26 -1.55 1.51 -1.18 -0.71 117.35 115.40 1ibl s TYR 98 Ca 0.13 -0.53 0.08 0.00 -1.01 0.00 0.00 57.07 55.74 1ibl s TYR 98 Cb 0.10 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.35 1ibl s TYR 98 CO 0.22 -0.01 0.10 -1.01 -1.11 0.00 0.00 175.55 173.74 1ibl s HIS 99 N -1.65 2.89 -0.22 2.71 3.76 -1.21 -0.93 115.29 120.64 1ibl s HIS 99 Ca -0.02 -0.18 -0.09 0.00 -0.15 0.00 0.00 55.06 54.62 1ibl s HIS 99 Cb -0.08 -1.31 -0.04 0.00 1.11 0.00 0.00 32.58 32.25 1ibl s HIS 99 CO 0.01 0.56 0.12 0.42 -0.85 0.00 0.00 174.74 175.00 1ibl s ILE 100 N -2.24 5.04 -0.30 0.60 1.01 -0.67 -0.64 121.20 123.99 1ibl s ILE 100 Ca 0.32 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.75 1ibl s ILE 100 Cb -0.07 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1ibl s ILE 100 CO 0.22 0.38 1.60 -0.69 0.00 0.00 0.00 174.94 176.45 1ibl s VAL 101 N 0.91 3.71 0.25 2.92 1.01 -0.09 -4.59 120.40 124.52 1ibl s VAL 101 Ca 0.06 0.77 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 1ibl s VAL 101 Cb -0.13 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 1ibl s VAL 101 CO 0.03 -0.45 1.06 -0.13 0.00 0.00 0.00 175.10 175.61 1ibl s ARG 102 N 4.98 4.68 0.00 2.72 0.52 -1.26 -3.16 118.95 127.43 1ibl s ARG 102 Ca 0.70 1.72 0.00 0.00 -0.52 0.00 0.00 55.73 57.63 1ibl s ARG 102 Cb -0.21 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.03 1ibl s ARG 102 CO 0.31 0.26 0.00 0.41 0.02 0.00 0.00 175.30 176.29 1ibl n GLY 103 N 1.42 0.93 2.87 -3.53 0.00 0.27 -3.15 105.19 103.99 1ibl n GLY 103 Ca -0.01 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1ibl n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibl s VAL 104 N -2.00 0.75 0.00 1.61 1.01 -1.16 -4.93 120.40 115.68 1ibl s VAL 104 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1ibl s VAL 104 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1ibl s VAL 104 CO 0.00 0.31 0.00 -1.22 0.00 0.00 0.00 175.10 174.19 1ibl n TYR 105 N 4.80 0.00 1.76 5.22 0.53 -1.26 -3.06 117.16 125.14 1ibl n TYR 105 Ca -0.13 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.88 1ibl n TYR 105 Cb 0.50 0.00 0.65 0.00 -1.03 0.00 0.00 39.34 39.46 1ibl n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1ibl n ASP 106 N 6.91 0.61 -4.42 7.72 10.43 -0.71 -4.62 116.55 132.48 1ibl n ASP 106 Ca 0.00 -1.34 -0.45 0.00 2.57 0.00 0.00 54.79 55.57 1ibl n ASP 106 Cb 0.00 -0.02 -0.02 0.00 1.84 0.00 0.00 41.12 42.92 1ibl n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ibl s ALA 107 N -1.96 3.54 1.00 2.24 0.00 -1.17 -4.74 121.76 120.67 1ibl s ALA 107 Ca 0.38 -2.87 -0.14 0.00 0.00 0.00 0.00 51.96 49.33 1ibl s ALA 107 Cb 0.19 -3.90 0.08 0.00 0.00 0.00 0.00 23.12 19.48 1ibl s ALA 107 CO 0.30 -2.79 0.41 0.00 0.00 0.00 0.00 175.76 173.68 1ibl n ALA 108 N 5.94 -2.86 -2.58 0.00 0.00 -1.26 0.94 120.51 120.69 1ibl n ALA 108 Ca 0.20 -0.81 -0.40 0.00 0.00 0.00 0.00 53.44 52.43 1ibl n ALA 108 Cb 0.48 -1.77 -0.10 0.00 0.00 0.00 0.00 19.45 18.06 1ibl n ALA 108 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ibl s GLY 109 N -2.05 1.90 0.00 0.00 0.00 -1.26 -3.39 107.32 102.52 1ibl s GLY 109 Ca 0.58 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 44.26 1ibl s GLY 109 CO 0.66 0.91 0.00 -0.62 0.00 0.00 0.00 173.10 174.05 1ibl n VAL 110 N 5.15 0.00 -1.21 1.40 0.31 -1.13 -4.76 118.33 118.08 1ibl n VAL 110 Ca -0.10 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.92 1ibl n VAL 110 Cb 0.50 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.54 1ibl n VAL 110 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ibl s LYS 111 N 0.00 2.08 0.00 5.55 1.02 -1.26 -3.38 119.74 123.74 1ibl s LYS 111 Ca 0.00 1.29 0.00 0.00 0.02 0.00 0.00 55.97 57.28 1ibl s LYS 111 Cb 0.00 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 1ibl s LYS 111 CO 0.00 -1.80 0.00 -0.25 -0.92 0.00 0.00 175.35 172.38 1ibl n ASP 112 N -3.51 0.00 -4.65 2.83 10.43 -1.26 -4.95 116.55 115.45 1ibl n ASP 112 Ca 0.10 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 57.04 1ibl n ASP 112 Cb 0.53 -0.88 0.01 0.00 1.84 0.00 0.00 41.12 42.61 1ibl n ASP 112 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1ibl n ARG 113 N -1.96 1.61 0.00 -1.24 5.12 -1.22 -4.90 116.66 114.07 1ibl n ARG 113 Ca 0.00 0.57 0.00 0.00 -1.93 0.00 0.00 57.85 56.49 1ibl n ARG 113 Cb 0.00 -2.17 0.00 0.00 -1.16 0.00 0.00 32.46 29.13 1ibl n ARG 113 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1ibl n LYS 114 N 0.16 4.52 0.00 5.56 5.02 -1.26 -4.93 118.16 127.24 1ibl n LYS 114 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1ibl n LYS 114 Cb 0.39 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.93 1ibl n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ibl n LYS 115 N -0.16 0.00 -0.17 1.97 4.76 -1.26 -4.65 118.16 118.65 1ibl n LYS 115 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ibl n LYS 115 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1ibl n LYS 115 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1ibl n SER 116 N 0.00 2.42 -0.38 4.39 7.64 -1.26 -4.52 113.62 121.91 1ibl n SER 116 Ca 0.00 -1.51 0.33 0.00 1.01 0.00 0.00 58.87 58.70 1ibl n SER 116 Cb 0.00 -0.48 0.59 0.00 -1.01 0.00 0.00 64.21 63.31 1ibl n SER 116 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1ibl h ARG 117 N 1.84 0.10 -0.95 1.43 3.08 -1.88 0.59 114.38 118.60 1ibl h ARG 117 Ca 0.00 -0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.23 1ibl h ARG 117 Cb 0.54 -0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.46 1ibl h ARG 117 CO 0.00 0.07 0.54 1.03 -1.07 0.00 0.00 179.97 180.54 1ibl h SER 118 N 0.11 0.66 -3.29 7.04 0.87 -1.83 -2.01 113.55 115.09 1ibl h SER 118 Ca 0.81 0.11 -0.50 0.00 -1.23 0.00 0.00 61.79 60.98 1ibl h SER 118 Cb 2.29 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.25 1ibl h SER 118 CO -0.57 0.22 -0.06 -0.54 -0.53 0.00 0.00 176.83 175.35 1ibl s LYS 119 N -5.88 3.62 -0.79 2.24 1.02 0.20 -3.70 119.74 116.45 1ibl s LYS 119 Ca -0.11 0.07 0.00 0.00 0.02 0.00 0.00 55.97 55.94 1ibl s LYS 119 Cb 0.24 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1ibl s LYS 119 CO 0.79 0.08 0.00 0.66 -0.92 0.00 0.00 175.35 175.97 1ibl n TYR 120 N -1.38 0.00 -2.39 3.18 4.02 -1.26 -4.42 117.16 114.92 1ibl n TYR 120 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1ibl n TYR 120 Cb 0.54 -1.66 0.00 0.00 -0.02 0.00 0.00 39.34 38.20 1ibl n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ibl n GLY 121 N -1.63 0.00 3.05 2.72 0.00 -1.14 -2.86 105.19 105.34 1ibl n GLY 121 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1ibl n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ibl s THR 122 N -1.94 1.90 0.53 2.61 -4.23 -0.77 -4.22 115.64 109.52 1ibl s THR 122 Ca 0.00 -1.11 -0.20 0.00 -1.18 0.00 0.00 61.69 59.20 1ibl s THR 122 Cb 0.00 -1.88 -0.09 0.00 1.34 0.00 0.00 72.50 71.87 1ibl s THR 122 CO 0.00 0.26 0.73 0.29 -0.54 0.00 0.00 174.62 175.36 1ibl n LYS 123 N 4.61 0.78 -1.63 3.99 4.76 -1.26 -4.67 118.16 124.73 1ibl n LYS 123 Ca -0.17 0.29 -0.43 0.00 -2.87 0.00 0.00 58.31 55.14 1ibl n LYS 123 Cb 0.47 -1.85 -0.03 0.00 -1.84 0.00 0.00 35.03 31.77 1ibl n LYS 123 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1ibl n LYS 124 N -0.16 2.46 -1.93 1.97 3.00 -1.26 -4.95 118.16 117.30 1ibl n LYS 124 Ca 0.12 0.82 -0.32 0.00 -0.00 0.00 0.00 58.31 58.93 1ibl n LYS 124 Cb 0.45 -3.11 0.02 0.00 0.00 0.00 0.00 35.03 32.39 1ibl n LYS 124 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1ibl s PRO 125 N 5.31 3.28 0.01 1.64 0.04 -1.26 -5.00 135.00 139.01 1ibl s PRO 125 Ca 0.94 1.08 -0.27 0.00 0.04 0.00 0.00 61.00 62.79 1ibl s PRO 125 Cb -0.39 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1ibl s PRO 125 CO 0.39 -0.83 0.86 0.15 0.04 0.00 0.00 177.00 177.61 1ibl s LYS 126 N -4.42 4.53 0.19 4.56 3.01 -1.26 -5.05 119.74 121.31 1ibl s LYS 126 Ca 0.61 1.20 0.08 0.00 -1.01 0.00 0.00 55.97 56.85 1ibl s LYS 126 Cb -0.14 -3.42 -0.04 0.00 -1.01 0.00 0.00 37.83 33.21 1ibl s LYS 126 CO 0.43 0.09 -0.00 -1.83 0.51 0.00 0.00 175.35 174.55 1ibl s GLU 127 N 0.57 2.38 0.00 1.68 -1.05 -1.26 -5.32 118.70 115.70 1ibl s GLU 127 Ca 0.44 -1.17 0.18 0.00 -0.15 0.00 0.00 54.97 54.27 1ibl s GLU 127 Cb -0.20 -2.31 1.07 0.00 -0.44 0.00 0.00 34.13 32.25 1ibl s GLU 127 CO 0.24 0.43 1.47 0.00 0.95 0.00 0.00 175.26 178.36