#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm s THR 6 N 0.00 2.99 0.22 3.45 -4.23 -1.26 -4.70 115.64 112.11 1ibm s THR 6 Ca 0.00 0.51 -0.10 0.00 -1.18 0.00 0.00 61.69 60.92 1ibm s THR 6 Cb 0.00 -3.06 0.20 0.00 1.34 0.00 0.00 72.50 70.98 1ibm s THR 6 CO 0.00 -0.24 1.67 0.40 -0.54 0.00 0.00 174.62 175.90 1ibm h ILE 7 N 0.24 0.50 -0.36 2.99 1.08 -2.05 0.34 117.51 120.26 1ibm h ILE 7 Ca -0.48 -0.05 0.08 0.00 -0.39 0.00 0.00 64.86 64.02 1ibm h ILE 7 Cb 1.26 0.35 -0.09 0.00 -3.07 0.00 0.00 36.82 35.27 1ibm h ILE 7 CO 0.54 0.03 -0.28 -1.13 -0.69 0.00 0.00 178.15 176.61 1ibm h ASN 8 N 0.14 -0.92 -0.30 1.72 -1.24 -1.98 0.80 115.58 113.80 1ibm h ASN 8 Ca 0.33 0.17 0.07 0.00 0.71 0.00 0.00 56.30 57.58 1ibm h ASN 8 Cb 0.54 0.44 -0.06 0.00 0.73 0.00 0.00 38.32 39.97 1ibm h ASN 8 CO -0.52 -0.30 -0.12 1.56 -1.29 0.00 0.00 177.43 176.76 1ibm h GLN 9 N -0.23 -0.07 -0.55 6.67 4.20 -1.01 0.81 115.11 124.93 1ibm h GLN 9 Ca 0.17 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.99 1ibm h GLN 9 Cb 0.50 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1ibm h GLN 9 CO -0.49 -0.04 0.38 -0.07 -0.67 0.00 0.00 178.83 177.94 1ibm h LEU 10 N -0.07 0.25 -0.30 1.46 3.38 0.27 1.00 115.31 121.31 1ibm h LEU 10 Ca 0.15 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 1ibm h LEU 10 Cb 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1ibm h LEU 10 CO -0.35 0.15 -0.77 0.58 0.09 0.00 0.00 178.44 178.14 1ibm h VAL 11 N 0.27 1.34 0.02 1.22 2.07 0.56 0.12 116.25 121.86 1ibm h VAL 11 Ca 0.26 -2.11 -0.00 0.00 0.82 0.00 0.00 66.70 65.67 1ibm h VAL 11 Cb 0.66 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1ibm h VAL 11 CO -0.06 0.65 -0.01 0.03 0.02 0.00 0.00 177.57 178.20 1ibm h ARG 12 N 0.36 -0.02 0.17 1.57 3.08 0.37 -3.39 114.38 116.51 1ibm h ARG 12 Ca -0.04 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.69 1ibm h ARG 12 Cb 1.37 0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.43 1ibm h ARG 12 CO 0.14 0.38 -1.47 0.87 -1.07 0.00 0.00 179.97 178.82 1ibm h LYS 13 N -0.99 0.36 -0.99 0.04 1.79 0.72 -3.51 116.57 113.98 1ibm h LYS 13 Ca -0.00 -0.61 0.12 0.00 -2.18 0.00 0.00 60.65 57.98 1ibm h LYS 13 Cb 0.41 0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 31.25 1ibm h LYS 13 CO 0.00 1.26 -0.18 0.41 -1.08 0.00 0.00 179.45 179.87 1ibm n GLY 14 N 1.67 -1.59 3.75 3.86 0.00 0.03 -4.86 105.19 108.05 1ibm n GLY 14 Ca -0.16 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 1ibm n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibm s ARG 15 N -1.56 3.08 -0.39 1.61 1.81 -1.26 -4.90 118.95 117.33 1ibm s ARG 15 Ca 0.00 -0.40 -0.22 0.00 -1.72 0.00 0.00 55.73 53.39 1ibm s ARG 15 Cb 0.00 -2.88 0.01 0.00 -0.45 0.00 0.00 34.95 31.64 1ibm s ARG 15 CO 0.00 0.69 0.71 -2.00 -0.68 0.00 0.00 175.30 174.02 1ibm s GLU 16 N -1.28 3.57 0.07 3.54 2.12 -1.26 -5.03 118.70 120.42 1ibm s GLU 16 Ca 0.18 0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.21 1ibm s GLU 16 Cb -0.12 -3.86 -0.06 0.00 0.26 0.00 0.00 34.13 30.35 1ibm s GLU 16 CO 0.08 -0.91 1.17 0.15 -0.54 0.00 0.00 175.26 175.21 1ibm s LYS 17 N 2.97 4.46 -0.22 4.30 1.02 -1.26 -5.00 119.74 126.02 1ibm s LYS 17 Ca 0.27 1.74 -0.20 0.00 0.02 0.00 0.00 55.97 57.80 1ibm s LYS 17 Cb -0.13 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1ibm s LYS 17 CO 0.18 -0.21 0.61 0.08 -0.92 0.00 0.00 175.35 175.09 1ibm s VAL 18 N 0.93 5.02 0.15 3.17 1.01 -1.26 -5.05 120.40 124.36 1ibm s VAL 18 Ca 0.57 1.12 -0.21 0.00 0.00 0.00 0.00 61.98 63.46 1ibm s VAL 18 Cb -0.29 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 1ibm s VAL 18 CO 0.30 0.09 0.68 -0.13 0.00 0.00 0.00 175.10 176.04 1ibm s ARG 19 N 2.09 4.33 0.15 2.72 0.52 -1.26 -5.06 118.95 122.45 1ibm s ARG 19 Ca 0.27 0.91 -0.19 0.00 -0.52 0.00 0.00 55.73 56.20 1ibm s ARG 19 Cb -0.16 -3.13 -0.07 0.00 0.52 0.00 0.00 34.95 32.10 1ibm s ARG 19 CO 0.10 0.54 0.64 0.15 0.02 0.00 0.00 175.30 176.75 1ibm s LYS 20 N -1.40 4.21 -0.05 3.54 1.02 -1.26 -5.06 119.74 120.74 1ibm s LYS 20 Ca 0.36 0.78 -0.13 0.00 0.02 0.00 0.00 55.97 56.99 1ibm s LYS 20 Cb -0.20 -3.05 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 1ibm s LYS 20 CO 0.22 0.51 0.34 0.15 -0.92 0.00 0.00 175.35 175.65 1ibm s LYS 21 N -1.61 3.88 1.01 1.68 1.02 -1.26 -5.08 119.74 119.37 1ibm s LYS 21 Ca 0.37 0.26 -0.14 0.00 0.02 0.00 0.00 55.97 56.48 1ibm s LYS 21 Cb -0.18 -3.25 0.19 0.00 -0.52 0.00 0.00 37.83 34.08 1ibm s LYS 21 CO 0.21 0.63 1.14 0.45 -0.92 0.00 0.00 175.35 176.86 1ibm s SER 22 N -0.82 2.64 -0.06 2.83 0.15 -1.26 -4.97 113.70 112.22 1ibm s SER 22 Ca 0.21 0.88 0.08 0.00 0.70 0.00 0.00 55.95 57.82 1ibm s SER 22 Cb -0.15 -1.35 0.12 0.00 -1.71 0.00 0.00 66.02 62.93 1ibm s SER 22 CO 0.10 -3.09 1.01 0.29 1.20 0.00 0.00 173.24 172.75 1ibm n LYS 23 N -4.10 1.31 -3.04 5.44 4.01 -1.26 -4.89 118.16 115.63 1ibm n LYS 23 Ca 0.08 -1.74 -0.18 0.00 -0.51 0.00 0.00 58.31 55.96 1ibm n LYS 23 Cb 0.59 -1.06 -0.03 0.00 -0.51 0.00 0.00 35.03 34.02 1ibm n LYS 23 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1ibm n VAL 24 N -0.74 -0.48 -0.67 -0.18 0.31 -1.26 -4.98 118.33 110.32 1ibm n VAL 24 Ca 0.07 -2.94 -0.25 0.00 -0.01 0.00 0.00 64.34 61.21 1ibm n VAL 24 Cb 0.54 -0.60 -0.03 0.00 -0.91 0.00 0.00 33.84 32.83 1ibm n VAL 24 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1ibm n PRO 25 N 1.73 1.35 0.00 5.55 -0.02 -1.26 -3.73 135.00 138.61 1ibm n PRO 25 Ca 0.18 -1.33 0.14 0.00 -2.02 0.00 0.00 63.50 60.47 1ibm n PRO 25 Cb 0.56 -2.48 0.64 0.00 -0.02 0.00 0.00 33.50 32.19 1ibm n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ibm n ALA 26 N 5.60 2.73 -1.21 3.55 0.00 -1.26 -5.01 120.51 124.91 1ibm n ALA 26 Ca 0.37 -0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.69 1ibm n ALA 26 Cb 0.20 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.23 1ibm n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ibm n LEU 27 N -0.89 -0.87 0.00 0.00 0.00 -1.24 -4.58 117.00 109.42 1ibm n LEU 27 Ca 0.16 2.02 0.00 0.00 0.00 0.00 0.00 56.01 58.18 1ibm n LEU 27 Cb 0.27 -2.69 0.00 0.00 0.00 0.00 0.00 43.42 41.00 1ibm n LEU 27 CO 0.23 -1.86 0.00 1.17 0.00 0.00 0.00 177.39 176.92 1ibm n LYS 28 N -3.98 -0.08 -0.59 1.96 4.81 -1.26 -1.47 118.16 117.55 1ibm n LYS 28 Ca -0.08 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1ibm n LYS 28 Cb 0.58 -3.50 0.00 0.00 0.02 0.00 0.00 35.03 32.13 1ibm n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ibm n GLY 29 N -1.04 0.00 2.74 3.14 0.00 -1.26 -4.84 105.19 103.94 1ibm n GLY 29 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ibm n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibm n ALA 30 N 0.76 -5.29 0.01 4.61 0.00 -0.54 -4.87 120.51 115.19 1ibm n ALA 30 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 53.44 52.49 1ibm n ALA 30 Cb 0.25 -0.94 0.05 0.00 0.00 0.00 0.00 19.45 18.81 1ibm n ALA 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ibm h PRO 31 N -0.91 0.53 -3.84 0.00 0.11 -1.91 -3.47 132.00 122.50 1ibm h PRO 31 Ca -0.39 -0.36 -0.10 0.00 0.11 0.00 0.00 66.00 65.27 1ibm h PRO 31 Cb 1.22 0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.28 1ibm h PRO 31 CO 0.20 0.97 -0.21 -0.06 -0.21 0.00 0.00 178.00 178.69 1ibm s PHE 32 N -3.91 0.53 -0.12 0.65 0.08 -1.26 -4.75 117.98 109.20 1ibm s PHE 32 Ca -0.07 -0.87 -0.13 0.00 0.12 0.00 0.00 56.93 55.98 1ibm s PHE 32 Cb 0.11 0.04 0.03 0.00 -0.57 0.00 0.00 43.02 42.64 1ibm s PHE 32 CO 0.84 -0.93 0.37 0.50 -0.10 0.00 0.00 175.22 175.89 1ibm s ARG 33 N -4.01 0.48 0.10 0.44 6.06 -0.75 -4.97 118.95 116.30 1ibm s ARG 33 Ca 0.26 0.40 -0.18 0.00 -2.50 0.00 0.00 55.73 53.71 1ibm s ARG 33 Cb 0.01 0.23 -0.07 0.00 0.06 0.00 0.00 34.95 35.18 1ibm s ARG 33 CO 0.10 -0.08 0.57 0.50 -2.50 0.00 0.00 175.30 173.89 1ibm s ARG 34 N -0.07 4.13 0.33 5.12 3.52 -1.26 -0.03 118.95 130.70 1ibm s ARG 34 Ca -0.02 0.67 -0.00 0.00 -0.13 0.00 0.00 55.73 56.24 1ibm s ARG 34 Cb -0.03 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 1ibm s ARG 34 CO 0.01 0.58 0.44 0.41 -0.81 0.00 0.00 175.30 175.93 1ibm n GLY 35 N 1.38 2.26 2.95 8.12 0.00 -0.82 -0.75 105.19 118.34 1ibm n GLY 35 Ca -0.08 -1.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 1ibm n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibm s VAL 36 N -2.87 0.83 0.26 1.61 1.01 0.21 -1.24 120.40 120.21 1ibm s VAL 36 Ca 0.29 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1ibm s VAL 36 Cb -0.01 -0.80 -0.10 0.00 0.00 0.00 0.00 36.38 35.47 1ibm s VAL 36 CO 0.21 0.29 1.43 0.00 0.00 0.00 0.00 175.10 177.03 1ibm n THR 38 N 2.10 1.06 -4.22 0.00 -2.24 -0.63 -3.59 114.28 106.77 1ibm n THR 38 Ca 0.06 -0.23 -0.17 0.00 -2.27 0.00 0.00 64.05 61.44 1ibm n THR 38 Cb 0.40 -1.78 -0.11 0.00 -2.10 0.00 0.00 70.33 66.74 1ibm n THR 38 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ibm s VAL 39 N -2.36 1.19 -0.52 2.28 -7.23 -1.25 -4.52 120.40 107.98 1ibm s VAL 39 Ca -0.26 -1.69 0.07 0.00 -1.81 0.00 0.00 61.98 58.29 1ibm s VAL 39 Cb 0.10 -1.47 0.31 0.00 0.56 0.00 0.00 36.38 35.87 1ibm s VAL 39 CO 0.33 -0.47 0.79 0.52 -0.31 0.00 0.00 175.10 175.96 1ibm n VAL 40 N 0.53 1.68 -0.00 1.32 0.31 -1.26 -1.90 118.33 119.01 1ibm n VAL 40 Ca -0.16 -5.06 0.00 0.00 -0.01 0.00 0.00 64.34 59.11 1ibm n VAL 40 Cb 0.57 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 1ibm n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1ibm n ARG 41 N 0.37 0.89 -3.27 5.55 0.63 -1.23 -4.84 116.66 114.75 1ibm n ARG 41 Ca 0.28 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 57.14 1ibm n ARG 41 Cb 0.47 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.34 1ibm n ARG 41 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1ibm s THR 42 N -0.04 -0.71 0.99 5.15 2.01 -1.26 -3.50 115.64 118.27 1ibm s THR 42 Ca 0.00 -0.42 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 1ibm s THR 42 Cb 0.00 -0.33 0.18 0.00 0.01 0.00 0.00 72.50 72.37 1ibm s THR 42 CO 0.00 -0.25 1.14 -0.69 -0.69 0.00 0.00 174.62 174.13 1ibm s VAL 43 N 1.71 1.93 0.13 3.82 1.01 -1.05 -4.74 120.40 123.21 1ibm s VAL 43 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.24 1ibm s VAL 43 Cb -0.09 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1ibm s VAL 43 CO -0.06 0.00 -0.24 0.42 0.00 0.00 0.00 175.10 175.22 1ibm s THR 44 N -3.22 2.47 1.01 3.92 -4.23 -1.26 -1.91 115.64 112.42 1ibm s THR 44 Ca 0.66 -1.68 -0.12 0.00 -1.18 0.00 0.00 61.69 59.37 1ibm s THR 44 Cb -0.14 -2.11 0.19 0.00 1.34 0.00 0.00 72.50 71.78 1ibm s THR 44 CO 0.55 0.08 1.08 -2.84 -0.54 0.00 0.00 174.62 172.95 1ibm s PRO 45 N -2.12 0.34 0.00 3.99 0.02 -1.25 -4.50 135.00 131.48 1ibm s PRO 45 Ca 0.16 0.97 0.00 0.00 0.02 0.00 0.00 61.00 62.15 1ibm s PRO 45 Cb -0.10 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.73 1ibm s PRO 45 CO 0.08 -2.91 0.00 1.17 -0.33 0.00 0.00 177.00 175.00 1ibm n LYS 46 N -4.37 2.32 0.00 5.54 4.81 -1.25 -4.84 118.16 120.38 1ibm n LYS 46 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1ibm n LYS 46 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 1ibm n LYS 46 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ibm n LYS 47 N 0.00 0.00 -0.36 1.64 5.02 -1.26 -2.96 118.16 120.24 1ibm n LYS 47 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1ibm n LYS 47 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.21 1ibm n LYS 47 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1ibm n PRO 48 N 0.00 2.59 -4.09 1.97 -0.04 -1.26 -4.91 135.00 129.25 1ibm n PRO 48 Ca 0.00 -1.62 -0.25 0.00 -0.04 0.00 0.00 63.50 61.59 1ibm n PRO 48 Cb 0.00 -1.64 -0.05 0.00 -0.04 0.00 0.00 33.50 31.77 1ibm n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ibm s ASN 49 N -0.70 5.53 -0.24 3.54 0.02 -1.15 -5.11 114.94 116.82 1ibm s ASN 49 Ca 0.29 -0.15 -0.15 0.00 -1.02 0.00 0.00 52.86 51.83 1ibm s ASN 49 Cb 0.19 -1.44 0.07 0.00 0.02 0.00 0.00 41.25 40.09 1ibm s ASN 49 CO 0.13 0.04 0.59 -0.55 0.02 0.00 0.00 177.10 177.34 1ibm s SER 50 N -3.27 -0.77 0.00 -1.22 0.15 -1.26 -4.15 113.70 103.18 1ibm s SER 50 Ca 0.31 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.25 1ibm s SER 50 Cb -0.10 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 1ibm s SER 50 CO 0.24 -0.22 0.00 0.00 1.20 0.00 0.00 173.24 174.46 1ibm n ALA 51 N 4.10 0.00 -2.88 5.45 0.00 -1.26 -4.96 120.51 120.95 1ibm n ALA 51 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 1ibm n ALA 51 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 1ibm n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ibm s LEU 52 N 0.00 4.50 0.49 0.00 1.43 -1.26 -3.96 118.68 119.87 1ibm s LEU 52 Ca 0.00 -1.05 -0.18 0.00 -1.03 0.00 0.00 54.13 51.87 1ibm s LEU 52 Cb 0.00 -2.41 -0.09 0.00 0.03 0.00 0.00 46.19 43.73 1ibm s LEU 52 CO 0.00 -1.41 0.97 -0.13 0.23 0.00 0.00 176.35 176.02 1ibm s ARG 53 N 3.91 4.04 -0.36 1.70 3.00 -0.80 -4.95 118.95 125.48 1ibm s ARG 53 Ca 0.21 1.01 -0.09 0.00 0.00 0.00 0.00 55.73 56.86 1ibm s ARG 53 Cb -0.18 -2.15 0.03 0.00 0.00 0.00 0.00 34.95 32.66 1ibm s ARG 53 CO 0.09 -0.20 0.16 0.15 0.00 0.00 0.00 175.30 175.51 1ibm s LYS 54 N -3.77 2.75 0.54 3.54 3.01 -1.26 -2.52 119.74 122.02 1ibm s LYS 54 Ca 0.60 -1.12 0.02 0.00 -1.01 0.00 0.00 55.97 54.46 1ibm s LYS 54 Cb -0.10 -3.61 0.01 0.00 -1.01 0.00 0.00 37.83 33.13 1ibm s LYS 54 CO 0.25 -0.68 0.13 0.08 0.51 0.00 0.00 175.35 175.64 1ibm s VAL 55 N 1.49 1.18 -0.27 3.17 1.01 -1.23 -2.05 120.40 123.70 1ibm s VAL 55 Ca 0.00 -1.85 -0.18 0.00 0.00 0.00 0.00 61.98 59.96 1ibm s VAL 55 Cb -0.19 -2.03 0.08 0.00 0.00 0.00 0.00 36.38 34.24 1ibm s VAL 55 CO 0.05 0.00 0.68 0.00 0.00 0.00 0.00 175.10 175.83 1ibm s ALA 56 N -2.88 -1.81 0.23 5.51 0.00 -0.96 -3.58 121.76 118.27 1ibm s ALA 56 Ca 0.10 2.28 -0.24 0.00 0.00 0.00 0.00 51.96 54.10 1ibm s ALA 56 Cb -0.01 -1.34 -0.09 0.00 0.00 0.00 0.00 23.12 21.69 1ibm s ALA 56 CO 0.06 -0.36 0.81 0.15 0.00 0.00 0.00 175.76 176.42 1ibm s LYS 57 N 1.29 4.49 0.01 0.00 -0.14 -0.80 -0.87 119.74 123.72 1ibm s LYS 57 Ca -0.07 1.12 0.04 0.00 -1.36 0.00 0.00 55.97 55.70 1ibm s LYS 57 Cb -0.05 -3.02 -0.01 0.00 -1.68 0.00 0.00 37.83 33.06 1ibm s LYS 57 CO -0.14 0.44 -0.11 0.08 -0.76 0.00 0.00 175.35 174.86 1ibm s VAL 58 N -1.39 0.88 -0.52 3.17 1.01 0.11 -1.60 120.40 122.07 1ibm s VAL 58 Ca 0.42 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 1ibm s VAL 58 Cb -0.20 -0.76 0.10 0.00 0.00 0.00 0.00 36.38 35.51 1ibm s VAL 58 CO 0.24 0.13 0.51 -0.60 0.00 0.00 0.00 175.10 175.38 1ibm s ARG 59 N -0.57 3.01 0.47 2.72 6.06 0.67 -1.81 118.95 129.51 1ibm s ARG 59 Ca 0.02 -1.41 -0.19 0.00 -2.50 0.00 0.00 55.73 51.65 1ibm s ARG 59 Cb -0.05 -4.21 -0.09 0.00 0.06 0.00 0.00 34.95 30.66 1ibm s ARG 59 CO 0.00 -1.24 0.98 -0.51 -2.50 0.00 0.00 175.30 172.04 1ibm s LEU 60 N 1.91 3.81 0.38 -0.88 2.01 0.53 -0.62 118.68 125.83 1ibm s LEU 60 Ca 0.06 1.71 0.20 0.00 0.01 0.00 0.00 54.13 56.11 1ibm s LEU 60 Cb -0.26 -4.53 0.63 0.00 0.01 0.00 0.00 46.19 42.04 1ibm s LEU 60 CO 0.06 -0.55 1.70 0.71 1.01 0.00 0.00 176.35 179.29 1ibm h THR 61 N 1.49 0.72 0.00 5.49 1.35 -1.23 -2.12 112.91 118.61 1ibm h THR 61 Ca -0.48 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.88 1ibm h THR 61 Cb 1.19 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1ibm h THR 61 CO 0.61 0.33 0.00 -1.54 -0.25 0.00 0.00 175.52 174.66 1ibm n SER 62 N -3.39 0.09 -1.67 5.36 3.41 -1.26 -4.73 113.62 111.42 1ibm n SER 62 Ca 0.01 -0.85 -0.12 0.00 -0.26 0.00 0.00 58.87 57.65 1ibm n SER 62 Cb 0.53 -0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1ibm n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ibm n GLY 63 N -0.00 0.06 3.34 5.00 0.00 -0.80 -4.97 105.19 107.82 1ibm n GLY 63 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 1ibm n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ibm s TYR 64 N -2.86 1.68 -0.52 1.61 1.51 -1.20 -4.96 117.35 112.60 1ibm s TYR 64 Ca 0.16 -0.62 0.06 0.00 -1.01 0.00 0.00 57.07 55.66 1ibm s TYR 64 Cb -0.07 -0.81 0.21 0.00 -0.11 0.00 0.00 41.96 41.18 1ibm s TYR 64 CO 0.19 0.31 0.52 0.39 -1.11 0.00 0.00 175.55 175.85 1ibm n GLU 65 N -0.38 1.22 -4.20 -0.62 4.71 -1.26 0.20 120.64 120.31 1ibm n GLU 65 Ca -0.08 -3.82 -0.25 0.00 -0.01 0.00 0.00 57.16 53.00 1ibm n GLU 65 Cb 0.61 -1.81 -0.07 0.00 -1.01 0.00 0.00 31.44 29.15 1ibm n GLU 65 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1ibm s VAL 66 N -1.19 3.82 -0.25 2.62 -7.23 -0.75 -4.78 120.40 112.64 1ibm s VAL 66 Ca 0.33 -1.48 -0.16 0.00 -1.81 0.00 0.00 61.98 58.86 1ibm s VAL 66 Cb 0.08 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 1ibm s VAL 66 CO -0.13 -0.19 0.40 0.28 -0.31 0.00 0.00 175.10 175.15 1ibm s THR 67 N -1.89 5.16 0.07 5.32 -1.32 -1.26 0.09 115.64 121.81 1ibm s THR 67 Ca 0.29 0.65 0.06 0.00 -1.21 0.00 0.00 61.69 61.49 1ibm s THR 67 Cb -0.09 -3.72 -0.04 0.00 -1.51 0.00 0.00 72.50 67.14 1ibm s THR 67 CO 0.20 0.17 -0.13 0.00 -2.21 0.00 0.00 174.62 172.65 1ibm s ALA 68 N 1.91 2.83 0.56 11.08 0.00 -0.05 -3.97 121.76 134.12 1ibm s ALA 68 Ca 0.17 -1.19 -0.16 0.00 0.00 0.00 0.00 51.96 50.77 1ibm s ALA 68 Cb -0.15 -0.87 -0.06 0.00 0.00 0.00 0.00 23.12 22.04 1ibm s ALA 68 CO 0.09 0.61 1.03 -0.47 0.00 0.00 0.00 175.76 177.02 1ibm s TYR 69 N -1.08 3.18 -0.51 0.00 5.04 0.03 -2.27 117.35 121.73 1ibm s TYR 69 Ca 0.18 1.50 0.01 0.00 -2.44 0.00 0.00 57.07 56.31 1ibm s TYR 69 Cb -0.11 -2.92 0.13 0.00 0.35 0.00 0.00 41.96 39.41 1ibm s TYR 69 CO 0.10 -0.79 0.28 0.42 -1.34 0.00 0.00 175.55 174.22 1ibm s ILE 70 N -2.50 3.03 1.04 3.14 1.01 -0.87 -1.09 121.20 124.97 1ibm s ILE 70 Ca 0.62 -2.88 -0.12 0.00 0.00 0.00 0.00 60.65 58.27 1ibm s ILE 70 Cb -0.14 -3.06 0.22 0.00 0.01 0.00 0.00 42.46 39.49 1ibm s ILE 70 CO 0.34 -0.78 1.08 -2.16 0.00 0.00 0.00 174.94 173.41 1ibm s PRO 71 N 0.16 0.04 0.00 2.79 0.04 -1.26 -4.78 135.00 131.99 1ibm s PRO 71 Ca 0.15 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1ibm s PRO 71 Cb -0.22 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1ibm s PRO 71 CO -0.03 -3.16 0.00 0.41 0.04 0.00 0.00 177.00 174.26 1ibm n GLY 72 N 0.36 -0.75 0.00 0.56 0.00 -1.26 -4.88 105.19 99.22 1ibm n GLY 72 Ca 0.07 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1ibm n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ibm n GLU 73 N -0.68 0.00 -4.28 1.61 -0.58 -1.26 -4.83 120.64 110.61 1ibm n GLU 73 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 1ibm n GLU 73 Cb 0.00 -0.06 -0.09 0.00 -0.57 0.00 0.00 31.44 30.73 1ibm n GLU 73 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1ibm s GLY 74 N 0.00 1.91 0.00 0.62 0.00 -1.26 -5.07 107.32 103.52 1ibm s GLY 74 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1ibm s GLY 74 CO 0.00 -0.53 0.00 -2.39 0.00 0.00 0.00 173.10 170.18 1ibm n HIS 75 N 2.11 0.00 -2.71 1.90 1.44 -1.26 -4.78 115.22 111.92 1ibm n HIS 75 Ca -0.19 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.44 1ibm n HIS 75 Cb 0.54 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.75 1ibm n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1ibm n ASN 76 N 0.00 -2.07 -4.44 4.39 6.94 -1.26 -5.06 115.26 113.75 1ibm n ASN 76 Ca 0.00 -2.97 -0.33 0.00 -0.02 0.00 0.00 54.58 51.26 1ibm n ASN 76 Cb 0.00 1.42 -0.13 0.00 -2.36 0.00 0.00 39.78 38.70 1ibm n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1ibm s LEU 77 N -2.75 2.95 0.00 -4.53 1.43 -1.26 -4.79 118.68 109.73 1ibm s LEU 77 Ca 0.22 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1ibm s LEU 77 Cb 0.35 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.89 1ibm s LEU 77 CO -0.07 0.20 0.05 0.00 0.23 0.00 0.00 176.35 176.75 1ibm n GLN 78 N 3.33 1.33 0.00 1.70 6.02 -1.26 -4.90 117.38 123.61 1ibm n GLN 78 Ca -0.18 -0.33 0.01 0.00 -0.01 0.00 0.00 57.00 56.49 1ibm n GLN 78 Cb 0.53 0.03 0.05 0.00 1.02 0.00 0.00 30.24 31.86 1ibm n GLN 78 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ibm n GLU 79 N -0.72 0.02 -1.80 -1.09 1.02 -1.26 -2.84 120.64 113.97 1ibm n GLU 79 Ca 0.00 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1ibm n GLU 79 Cb 0.06 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.00 1ibm n GLU 79 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1ibm n HIS 80 N -1.35 0.09 -2.75 -0.32 8.25 -1.24 -4.25 115.22 113.65 1ibm n HIS 80 Ca 0.01 -0.97 -0.41 0.00 -0.26 0.00 0.00 57.72 56.09 1ibm n HIS 80 Cb 0.02 0.12 -0.05 0.00 1.12 0.00 0.00 29.99 31.20 1ibm n HIS 80 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ibm s SER 81 N -2.11 7.51 -0.12 0.41 0.01 -1.13 -4.79 113.70 113.47 1ibm s SER 81 Ca 0.23 1.80 -0.26 0.00 1.31 0.00 0.00 55.95 59.03 1ibm s SER 81 Cb 0.30 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 1ibm s SER 81 CO -0.10 -0.02 0.82 -0.69 0.41 0.00 0.00 173.24 173.66 1ibm s VAL 82 N -0.21 4.92 0.38 3.43 1.01 -1.26 0.03 120.40 128.71 1ibm s VAL 82 Ca 0.45 1.66 0.04 0.00 0.00 0.00 0.00 61.98 64.12 1ibm s VAL 82 Cb -0.24 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1ibm s VAL 82 CO 0.30 0.10 0.08 0.54 0.00 0.00 0.00 175.10 176.12 1ibm s VAL 83 N 1.63 0.98 -0.08 2.92 0.11 -0.38 -1.10 120.40 124.48 1ibm s VAL 83 Ca 0.40 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.46 1ibm s VAL 83 Cb -0.18 -2.55 0.02 0.00 -1.53 0.00 0.00 36.38 32.15 1ibm s VAL 83 CO 0.16 0.00 -0.08 -0.22 -3.33 0.00 0.00 175.10 171.64 1ibm s LEU 84 N -3.59 1.29 -0.01 2.54 2.96 -1.26 -1.94 118.68 118.67 1ibm s LEU 84 Ca 0.28 -0.25 -0.12 0.00 -0.22 0.00 0.00 54.13 53.82 1ibm s LEU 84 Cb 0.05 -0.72 -0.05 0.00 0.50 0.00 0.00 46.19 45.97 1ibm s LEU 84 CO 0.14 -0.07 0.34 -0.63 -1.32 0.00 0.00 176.35 174.81 1ibm s ILE 85 N 1.27 5.16 0.00 6.68 1.09 0.95 -1.84 121.20 134.51 1ibm s ILE 85 Ca -0.04 0.59 0.00 0.00 -1.10 0.00 0.00 60.65 60.10 1ibm s ILE 85 Cb -0.14 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.64 1ibm s ILE 85 CO -0.03 0.51 0.23 -2.11 -0.10 0.00 0.00 174.94 173.44 1ibm n ARG 86 N 1.61 -0.15 -1.52 2.79 1.85 -0.32 -1.82 116.66 119.11 1ibm n ARG 86 Ca -0.14 -0.23 0.00 0.00 -1.00 0.00 0.00 57.85 56.48 1ibm n ARG 86 Cb 0.53 -0.71 0.00 0.00 -1.05 0.00 0.00 32.46 31.23 1ibm n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ibm n GLY 87 N 0.04 -4.77 0.00 2.89 0.00 -1.25 -4.74 105.19 97.35 1ibm n GLY 87 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1ibm n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibm n GLY 88 N 1.22 -0.01 3.47 -0.02 0.00 0.20 -4.54 105.19 105.51 1ibm n GLY 88 Ca 0.00 0.75 -0.28 0.00 0.00 0.00 0.00 46.02 46.49 1ibm n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibm s ARG 89 N 0.00 -1.10 -0.36 1.61 1.81 -0.83 -3.33 118.95 116.74 1ibm s ARG 89 Ca 0.00 0.83 0.01 0.00 -1.72 0.00 0.00 55.73 54.85 1ibm s ARG 89 Cb 0.00 -1.53 0.15 0.00 -0.45 0.00 0.00 34.95 33.11 1ibm s ARG 89 CO 0.00 -3.84 0.28 0.08 -0.68 0.00 0.00 175.30 171.13 1ibm s VAL 90 N -2.43 -0.00 0.07 3.52 1.01 -0.88 -4.93 120.40 116.75 1ibm s VAL 90 Ca 0.69 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 1ibm s VAL 90 Cb -0.25 -0.97 0.09 0.00 0.00 0.00 0.00 36.38 35.24 1ibm s VAL 90 CO 0.65 -0.88 0.44 0.29 0.00 0.00 0.00 175.10 175.60 1ibm n LYS 91 N 4.00 -0.05 0.00 2.72 4.01 -1.26 -2.76 118.16 124.81 1ibm n LYS 91 Ca 0.13 0.44 0.00 0.00 -0.51 0.00 0.00 58.31 58.37 1ibm n LYS 91 Cb 0.40 -0.65 0.00 0.00 -0.51 0.00 0.00 35.03 34.27 1ibm n LYS 91 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1ibm n ASP 92 N -4.43 0.00 -4.65 4.39 8.00 -1.26 -4.43 116.55 114.18 1ibm n ASP 92 Ca 0.03 0.35 -0.43 0.00 0.71 0.00 0.00 54.79 55.46 1ibm n ASP 92 Cb 0.12 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1ibm n ASP 92 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1ibm s LEU 93 N -0.80 4.10 0.74 0.64 2.34 -1.11 -3.88 118.68 120.71 1ibm s LEU 93 Ca 0.00 1.82 -0.09 0.00 0.06 0.00 0.00 54.13 55.92 1ibm s LEU 93 Cb 0.00 -3.53 0.06 0.00 -0.56 0.00 0.00 46.19 42.16 1ibm s LEU 93 CO 0.00 -1.03 1.08 -2.84 -1.06 0.00 0.00 176.35 172.50 1ibm s PRO 94 N 4.19 2.22 0.00 1.48 0.02 -1.26 -3.68 135.00 137.96 1ibm s PRO 94 Ca 0.68 -0.01 0.00 0.00 0.02 0.00 0.00 61.00 61.68 1ibm s PRO 94 Cb -0.27 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.18 1ibm s PRO 94 CO 0.26 -1.32 0.00 0.41 -0.33 0.00 0.00 177.00 176.01 1ibm n GLY 95 N -3.07 0.58 3.14 0.52 0.00 -1.26 -4.92 105.19 100.18 1ibm n GLY 95 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1ibm n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibm s VAL 96 N -2.60 3.97 -0.12 1.61 1.01 -1.24 -4.59 120.40 118.44 1ibm s VAL 96 Ca 0.00 -2.67 0.17 0.00 0.00 0.00 0.00 61.98 59.47 1ibm s VAL 96 Cb 0.00 -3.58 -0.20 0.00 0.00 0.00 0.00 36.38 32.60 1ibm s VAL 96 CO 0.00 -0.87 0.60 0.54 0.00 0.00 0.00 175.10 175.38 1ibm n ARG 97 N 3.82 0.64 -4.53 2.72 1.74 -1.25 -2.08 116.66 117.71 1ibm n ARG 97 Ca 0.06 0.15 -0.28 0.00 -0.77 0.00 0.00 57.85 57.01 1ibm n ARG 97 Cb 0.40 -1.72 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 1ibm n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ibm s TYR 98 N -2.83 2.52 0.29 -1.55 1.51 -1.21 0.62 117.35 116.70 1ibm s TYR 98 Ca -0.05 -0.66 0.09 0.00 -1.01 0.00 0.00 57.07 55.44 1ibm s TYR 98 Cb 0.08 -1.81 -0.06 0.00 -0.11 0.00 0.00 41.96 40.07 1ibm s TYR 98 CO 0.83 0.40 -0.12 -1.01 -1.11 0.00 0.00 175.55 174.53 1ibm s HIS 99 N -2.69 2.17 0.06 2.71 3.76 -1.26 -0.79 115.29 119.24 1ibm s HIS 99 Ca 0.35 -0.52 0.02 0.00 -0.15 0.00 0.00 55.06 54.77 1ibm s HIS 99 Cb 0.09 -1.14 -0.04 0.00 1.11 0.00 0.00 32.58 32.60 1ibm s HIS 99 CO 0.18 0.51 0.08 0.42 -0.85 0.00 0.00 174.74 175.08 1ibm s ILE 100 N -2.74 4.55 -1.31 0.60 1.01 -0.25 -1.17 121.20 121.89 1ibm s ILE 100 Ca 0.30 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 1ibm s ILE 100 Cb 0.01 -3.17 0.14 0.00 0.01 0.00 0.00 42.46 39.45 1ibm s ILE 100 CO 0.14 0.17 1.90 0.52 0.00 0.00 0.00 174.94 177.66 1ibm n VAL 101 N 0.61 4.13 -1.50 2.92 0.31 -0.77 -4.54 118.33 119.50 1ibm n VAL 101 Ca -0.09 -4.13 -0.33 0.00 -0.01 0.00 0.00 64.34 59.77 1ibm n VAL 101 Cb 0.52 -2.42 -0.18 0.00 -0.91 0.00 0.00 33.84 30.85 1ibm n VAL 101 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ibm n ARG 102 N 4.72 0.01 0.00 5.55 5.12 -1.26 -0.80 116.66 130.00 1ibm n ARG 102 Ca 0.42 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.34 1ibm n ARG 102 Cb 0.38 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 1ibm n ARG 102 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ibm n GLY 103 N 6.10 0.07 3.08 -0.13 0.00 -0.78 -1.24 105.19 112.29 1ibm n GLY 103 Ca 0.66 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.43 1ibm n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibm s VAL 104 N 0.00 1.33 0.00 1.61 1.01 0.02 -4.84 120.40 119.53 1ibm s VAL 104 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1ibm s VAL 104 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1ibm s VAL 104 CO 0.00 0.39 0.00 -1.22 0.00 0.00 0.00 175.10 174.27 1ibm n TYR 105 N 3.53 -0.63 -0.00 5.22 0.53 -1.26 -3.56 117.16 120.98 1ibm n TYR 105 Ca -0.21 0.00 0.22 0.00 -1.02 0.00 0.00 57.90 56.89 1ibm n TYR 105 Cb 0.52 0.11 0.57 0.00 -1.03 0.00 0.00 39.34 39.51 1ibm n TYR 105 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 1ibm h ASP 106 N 0.00 0.00 -1.25 7.72 3.45 -1.49 -3.35 116.42 121.49 1ibm h ASP 106 Ca 0.00 0.00 -0.54 0.00 0.43 0.00 0.00 57.03 56.92 1ibm h ASP 106 Cb 0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 38.68 1ibm h ASP 106 CO 0.00 0.00 1.32 0.00 -1.57 0.00 0.00 179.24 178.99 1ibm s ALA 107 N -4.44 2.55 0.77 3.45 0.00 -1.23 -4.87 121.76 117.98 1ibm s ALA 107 Ca -0.03 -1.98 -0.15 0.00 0.00 0.00 0.00 51.96 49.80 1ibm s ALA 107 Cb 0.13 -4.49 0.02 0.00 0.00 0.00 0.00 23.12 18.78 1ibm s ALA 107 CO 0.45 -3.76 0.87 0.00 0.00 0.00 0.00 175.76 173.32 1ibm n ALA 108 N 9.81 -0.72 -1.81 0.00 0.00 -1.26 -1.87 120.51 124.66 1ibm n ALA 108 Ca 0.29 -0.28 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 1ibm n ALA 108 Cb 0.50 -2.06 0.07 0.00 0.00 0.00 0.00 19.45 17.97 1ibm n ALA 108 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ibm s GLY 109 N -1.76 1.61 0.52 0.00 0.00 -1.26 -4.10 107.32 102.32 1ibm s GLY 109 Ca 0.70 -0.44 -0.22 0.00 0.00 0.00 0.00 44.72 44.77 1ibm s GLY 109 CO 0.54 -0.00 1.25 0.14 0.00 0.00 0.00 173.10 175.02 1ibm s VAL 110 N -3.39 2.61 -0.10 1.40 1.01 -0.98 -4.95 120.40 116.01 1ibm s VAL 110 Ca 0.60 0.44 -0.02 0.00 0.00 0.00 0.00 61.98 63.00 1ibm s VAL 110 Cb -0.12 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1ibm s VAL 110 CO 0.51 -0.02 0.01 -0.54 0.00 0.00 0.00 175.10 175.06 1ibm s LYS 111 N -2.90 3.09 -0.54 2.72 1.02 -1.26 -4.60 119.74 117.27 1ibm s LYS 111 Ca 0.69 -0.39 -0.00 0.00 0.02 0.00 0.00 55.97 56.29 1ibm s LYS 111 Cb -0.34 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1ibm s LYS 111 CO 0.39 0.67 0.45 -0.25 -0.92 0.00 0.00 175.35 175.69 1ibm n ASP 112 N 2.26 -2.04 -4.10 2.83 10.43 -1.26 -5.02 116.55 119.65 1ibm n ASP 112 Ca -0.19 -0.28 -0.33 0.00 2.57 0.00 0.00 54.79 56.57 1ibm n ASP 112 Cb 0.54 -2.57 -0.15 0.00 1.84 0.00 0.00 41.12 40.77 1ibm n ASP 112 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1ibm s ARG 113 N -4.62 2.54 -0.14 -1.24 1.81 -1.26 -4.98 118.95 111.06 1ibm s ARG 113 Ca 0.00 -1.15 0.15 0.00 -1.72 0.00 0.00 55.73 53.02 1ibm s ARG 113 Cb -0.00 -2.80 -0.24 0.00 -0.45 0.00 0.00 34.95 31.46 1ibm s ARG 113 CO 0.33 -0.44 0.30 1.63 -0.68 0.00 0.00 175.30 176.43 1ibm n LYS 114 N 4.52 0.67 0.00 3.54 4.76 -1.26 -4.83 118.16 125.56 1ibm n LYS 114 Ca -0.16 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1ibm n LYS 114 Cb 0.45 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1ibm n LYS 114 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ibm n LYS 115 N -2.88 0.00 -0.09 1.97 4.76 -1.26 -4.66 118.16 116.00 1ibm n LYS 115 Ca -0.27 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.17 1ibm n LYS 115 Cb 1.11 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.30 1ibm n LYS 115 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1ibm n SER 116 N 0.00 0.00 -0.11 4.39 7.64 -1.26 -4.57 113.62 119.71 1ibm n SER 116 Ca 0.00 -1.69 -0.07 0.00 1.01 0.00 0.00 58.87 58.12 1ibm n SER 116 Cb 0.00 -0.39 0.10 0.00 -1.01 0.00 0.00 64.21 62.91 1ibm n SER 116 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1ibm h ARG 117 N 7.33 0.82 -0.96 1.43 3.08 -1.88 -3.12 114.38 121.08 1ibm h ARG 117 Ca 0.00 -0.29 0.17 0.00 0.07 0.00 0.00 59.98 59.93 1ibm h ARG 117 Cb 0.00 -0.06 -0.17 0.00 0.08 0.00 0.00 29.97 29.82 1ibm h ARG 117 CO 0.79 0.91 -0.31 1.03 -1.07 0.00 0.00 179.97 181.32 1ibm h SER 118 N 0.73 -1.15 -3.56 7.04 0.87 -1.85 -2.70 113.55 112.93 1ibm h SER 118 Ca 0.11 0.30 -0.52 0.00 -1.23 0.00 0.00 61.79 60.45 1ibm h SER 118 Cb 0.65 0.67 -0.03 0.00 -0.44 0.00 0.00 62.40 63.25 1ibm h SER 118 CO 0.05 -0.30 0.11 -0.54 -0.53 0.00 0.00 176.83 175.61 1ibm s LYS 119 N -6.11 4.26 0.00 2.24 1.02 -1.18 -3.16 119.74 116.81 1ibm s LYS 119 Ca -0.14 0.87 0.00 0.00 0.02 0.00 0.00 55.97 56.72 1ibm s LYS 119 Cb 0.23 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1ibm s LYS 119 CO 0.74 0.40 0.00 0.66 -0.92 0.00 0.00 175.35 176.24 1ibm n TYR 120 N 0.76 0.00 -3.05 3.18 0.53 -1.23 -4.64 117.16 112.71 1ibm n TYR 120 Ca -0.03 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.78 1ibm n TYR 120 Cb 0.51 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.80 1ibm n TYR 120 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ibm n GLY 121 N -2.48 -0.05 3.79 2.72 0.00 -0.37 -2.31 105.19 106.49 1ibm n GLY 121 Ca 0.00 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1ibm n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ibm s THR 122 N -3.51 5.33 0.75 2.61 -4.23 -1.18 -4.53 115.64 110.87 1ibm s THR 122 Ca 0.02 0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 1ibm s THR 122 Cb -0.01 -3.36 0.04 0.00 1.34 0.00 0.00 72.50 70.51 1ibm s THR 122 CO 0.23 0.54 1.09 -0.54 -0.54 0.00 0.00 174.62 175.40 1ibm s LYS 123 N -0.40 2.40 0.10 3.99 -0.14 -1.26 -4.72 119.74 119.70 1ibm s LYS 123 Ca 0.11 1.19 -0.35 0.00 -1.36 0.00 0.00 55.97 55.56 1ibm s LYS 123 Cb -0.12 -1.91 -0.14 0.00 -1.68 0.00 0.00 37.83 33.98 1ibm s LYS 123 CO 0.01 -1.54 1.56 1.17 -0.76 0.00 0.00 175.35 175.80 1ibm n LYS 124 N -3.32 1.87 -1.19 1.68 3.00 -1.26 -4.87 118.16 114.07 1ibm n LYS 124 Ca 0.09 0.68 -0.37 0.00 -0.00 0.00 0.00 58.31 58.71 1ibm n LYS 124 Cb 0.53 -2.42 0.05 0.00 0.00 0.00 0.00 35.03 33.19 1ibm n LYS 124 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1ibm n PRO 125 N 3.66 0.13 0.25 1.64 -0.04 -1.26 -4.83 135.00 134.55 1ibm n PRO 125 Ca 0.18 0.06 0.14 0.00 -0.04 0.00 0.00 63.50 63.84 1ibm n PRO 125 Cb 0.26 -1.41 0.61 0.00 -0.04 0.00 0.00 33.50 32.92 1ibm n PRO 125 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ibm h LYS 126 N -0.42 0.00 0.00 0.54 6.56 -2.01 -3.47 116.57 117.76 1ibm h LYS 126 Ca -0.44 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 1ibm h LYS 126 Cb 1.37 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.03 1ibm h LYS 126 CO 0.38 0.11 0.00 -0.85 -2.06 0.00 0.00 179.45 177.03 1ibm n GLU 127 N -3.30 0.00 0.00 3.15 0.28 -1.26 -5.33 120.64 114.19 1ibm n GLU 127 Ca -0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.01 1ibm n GLU 127 Cb 0.34 0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.25 1ibm n GLU 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97