#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fic s THR 6 N 0.00 2.04 0.04 0.52 -4.23 -1.26 -4.74 115.64 108.01 3fic s THR 6 Ca 0.00 0.01 -0.31 0.00 -1.18 0.00 0.00 61.69 60.21 3fic s THR 6 Cb 0.00 -2.22 -0.18 0.00 1.34 0.00 0.00 72.50 71.44 3fic s THR 6 CO 0.00 -0.02 1.38 0.40 -0.54 0.00 0.00 174.62 175.84 3fic h ILE 7 N -2.37 0.17 -0.86 2.99 1.08 -2.05 0.53 117.51 117.01 3fic h ILE 7 Ca -0.59 -0.18 0.22 0.00 -0.39 0.00 0.00 64.86 63.92 3fic h ILE 7 Cb 1.33 0.21 -0.15 0.00 -3.07 0.00 0.00 36.82 35.14 3fic h ILE 7 CO 0.53 0.01 0.07 -1.13 -0.69 0.00 0.00 178.15 176.94 3fic h ASN 8 N -1.14 -0.31 -0.33 1.72 -0.73 -1.99 1.77 115.58 114.58 3fic h ASN 8 Ca -0.10 0.22 0.00 0.00 1.87 0.00 0.00 56.30 58.30 3fic h ASN 8 Cb 0.78 0.37 -0.02 0.00 0.27 0.00 0.00 38.32 39.73 3fic h ASN 8 CO 0.17 -0.23 0.22 1.56 -0.37 0.00 0.00 177.43 178.77 3fic h GLN 9 N 0.10 0.44 -0.87 6.67 4.20 -1.83 -1.20 115.11 122.61 3fic h GLN 9 Ca 0.51 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.29 3fic h GLN 9 Cb 0.98 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.59 3fic h GLN 9 CO -0.75 0.29 0.51 -0.07 -0.67 0.00 0.00 178.83 178.15 3fic h LEU 10 N 0.45 0.75 -0.09 1.46 3.38 0.47 0.37 115.31 122.09 3fic h LEU 10 Ca 0.12 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.17 3fic h LEU 10 Cb -0.05 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3fic h LEU 10 CO -0.03 0.43 -0.15 0.58 0.09 0.00 0.00 178.44 179.36 3fic h VAL 11 N 0.86 0.60 0.00 1.22 2.07 0.12 -2.01 116.25 119.10 3fic h VAL 11 Ca 0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.94 3fic h VAL 11 Cb 0.37 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3fic h VAL 11 CO -0.24 0.00 0.00 0.54 0.02 0.00 0.00 177.57 177.89 3fic n ARG 12 N -5.29 0.00 0.00 1.57 1.74 0.74 -4.55 116.66 110.86 3fic n ARG 12 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3fic n ARG 12 Cb 0.21 -0.63 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 3fic n ARG 12 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3fic n LYS 13 N -0.22 0.00 0.00 5.56 4.01 0.94 -5.03 118.16 123.42 3fic n LYS 13 Ca 0.00 0.44 0.00 0.00 -0.51 0.00 0.00 58.31 58.24 3fic n LYS 13 Cb 0.00 -1.29 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 3fic n LYS 13 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3fic n GLY 14 N -0.85 0.26 3.79 0.72 0.00 -0.76 -4.98 105.19 103.37 3fic n GLY 14 Ca 0.00 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 3fic n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fic s ARG 15 N -3.21 3.62 -0.19 1.61 1.81 -1.26 -5.02 118.95 116.30 3fic s ARG 15 Ca 0.00 1.37 -0.06 0.00 -1.72 0.00 0.00 55.73 55.33 3fic s ARG 15 Cb 0.00 -2.07 -0.03 0.00 -0.45 0.00 0.00 34.95 32.40 3fic s ARG 15 CO 0.00 -0.58 0.02 -2.00 -0.68 0.00 0.00 175.30 172.06 3fic s GLU 16 N -3.41 3.74 0.17 3.54 2.12 -1.26 -5.09 118.70 118.51 3fic s GLU 16 Ca 0.67 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 55.24 3fic s GLU 16 Cb -0.18 -3.12 -0.08 0.00 0.26 0.00 0.00 34.13 31.02 3fic s GLU 16 CO 0.25 0.11 1.23 0.21 -0.54 0.00 0.00 175.26 176.51 3fic s LYS 17 N 0.76 4.46 0.00 4.30 2.36 -1.26 -5.00 119.74 125.36 3fic s LYS 17 Ca 0.01 1.90 0.00 0.00 -2.55 0.00 0.00 55.97 55.34 3fic s LYS 17 Cb -0.14 -3.24 0.00 0.00 -1.05 0.00 0.00 37.83 33.40 3fic s LYS 17 CO 0.02 -0.15 0.77 1.33 1.55 0.00 0.00 175.35 178.87 3fic n VAL 18 N 2.74 0.00 -1.34 4.02 0.24 -1.26 -5.04 118.33 117.70 3fic n VAL 18 Ca 0.05 1.27 0.00 0.00 -2.04 0.00 0.00 64.34 63.63 3fic n VAL 18 Cb 0.44 -2.06 0.00 0.00 -1.47 0.00 0.00 33.84 30.76 3fic n VAL 18 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3fic n ARG 19 N -1.65 -1.45 -3.99 7.34 0.63 -1.26 -5.06 116.66 111.23 3fic n ARG 19 Ca 0.00 1.41 -0.22 0.00 -0.92 0.00 0.00 57.85 58.12 3fic n ARG 19 Cb 0.00 -1.63 -0.04 0.00 0.45 0.00 0.00 32.46 31.24 3fic n ARG 19 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3fic s LYS 20 N -1.68 2.77 0.23 -0.14 0.00 -1.26 -5.12 119.74 114.54 3fic s LYS 20 Ca 0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 55.97 54.68 3fic s LYS 20 Cb 0.00 -2.48 -0.07 0.00 0.00 0.00 0.00 37.83 35.28 3fic s LYS 20 CO 0.00 0.25 0.54 0.15 0.00 0.00 0.00 175.35 176.28 3fic s LYS 21 N -3.90 3.76 -0.31 1.78 3.01 -1.26 -5.03 119.74 117.80 3fic s LYS 21 Ca 0.37 0.21 -0.29 0.00 -1.01 0.00 0.00 55.97 55.25 3fic s LYS 21 Cb -0.07 -2.66 -0.01 0.00 -1.01 0.00 0.00 37.83 34.08 3fic s LYS 21 CO 0.25 0.32 1.61 0.45 0.51 0.00 0.00 175.35 178.49 3fic s SER 22 N -2.46 6.22 0.00 2.83 0.15 -1.26 -4.84 113.70 114.34 3fic s SER 22 Ca 0.46 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.42 3fic s SER 22 Cb -0.11 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 3fic s SER 22 CO 0.23 -1.45 0.51 1.17 1.20 0.00 0.00 173.24 174.90 3fic n LYS 23 N 8.01 0.00 -3.15 5.44 4.81 -1.26 -4.21 118.16 127.80 3fic n LYS 23 Ca 0.19 0.01 0.05 0.00 -0.87 0.00 0.00 58.31 57.69 3fic n LYS 23 Cb 0.46 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.01 3fic n LYS 23 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3fic s VAL 24 N -2.02 -0.63 -1.10 3.15 1.01 -1.26 -4.99 120.40 114.56 3fic s VAL 24 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 3fic s VAL 24 Cb 0.00 -0.77 0.11 0.00 0.00 0.00 0.00 36.38 35.72 3fic s VAL 24 CO 0.00 0.00 1.41 -2.16 0.00 0.00 0.00 175.10 174.35 3fic s PRO 25 N 2.90 3.81 -0.50 2.72 0.04 -1.26 -4.73 135.00 137.98 3fic s PRO 25 Ca 0.15 -1.87 0.02 0.00 0.04 0.00 0.00 61.00 59.34 3fic s PRO 25 Cb -0.08 -5.19 0.58 0.00 0.04 0.00 0.00 34.50 29.85 3fic s PRO 25 CO -0.21 -1.98 1.93 0.00 0.04 0.00 0.00 177.00 176.78 3fic n ALA 26 N 7.26 5.72 -0.76 8.56 0.00 -1.26 -5.04 120.51 134.98 3fic n ALA 26 Ca 0.35 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.83 3fic n ALA 26 Cb 0.47 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3fic n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fic n LEU 27 N -1.01 0.00 -0.61 0.00 7.99 -1.26 -4.02 117.00 118.09 3fic n LEU 27 Ca 0.59 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.59 3fic n LEU 27 Cb 1.34 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.65 3fic n LEU 27 CO 0.64 -1.06 0.09 0.29 -1.51 0.00 0.00 177.39 175.84 3fic n LYS 28 N -1.35 0.00 -2.49 3.23 5.02 -1.26 -2.94 118.16 118.36 3fic n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3fic n LYS 28 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.86 3fic n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fic n GLY 29 N 0.56 0.00 3.56 0.72 0.00 -1.26 -4.80 105.19 103.97 3fic n GLY 29 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3fic n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fic s ALA 30 N -2.40 3.19 0.33 4.61 0.00 -1.15 -4.98 121.76 121.35 3fic s ALA 30 Ca 0.00 -0.79 0.12 0.00 0.00 0.00 0.00 51.96 51.29 3fic s ALA 30 Cb 0.00 -1.73 1.03 0.00 0.00 0.00 0.00 23.12 22.42 3fic s ALA 30 CO 0.00 0.19 1.64 -1.35 0.00 0.00 0.00 175.76 176.24 3fic h PRO 31 N 6.71 0.22 -3.53 0.00 0.11 -1.91 -3.42 132.00 130.18 3fic h PRO 31 Ca -0.34 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 3fic h PRO 31 Cb 1.18 -0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.13 3fic h PRO 31 CO 0.66 0.15 -0.09 -0.06 -0.21 0.00 0.00 178.00 178.45 3fic s PHE 32 N -5.72 0.11 -0.01 0.65 0.08 -1.26 -4.85 117.98 106.98 3fic s PHE 32 Ca -0.10 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.48 3fic s PHE 32 Cb 0.30 0.23 0.01 0.00 -0.57 0.00 0.00 43.02 42.99 3fic s PHE 32 CO 0.78 -0.88 -0.01 0.50 -0.10 0.00 0.00 175.22 175.52 3fic s ARG 33 N -3.92 0.10 0.69 0.44 6.06 -1.08 -5.02 118.95 116.21 3fic s ARG 33 Ca 0.14 -0.00 -0.03 0.00 -2.50 0.00 0.00 55.73 53.34 3fic s ARG 33 Cb 0.00 -0.15 0.09 0.00 0.06 0.00 0.00 34.95 34.95 3fic s ARG 33 CO 0.00 -0.01 0.96 0.50 -2.50 0.00 0.00 175.30 174.25 3fic s ARG 34 N 0.21 1.98 0.00 5.12 3.52 -1.26 -0.81 118.95 127.71 3fic s ARG 34 Ca -0.02 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 3fic s ARG 34 Cb -0.03 -2.30 0.00 0.00 -1.56 0.00 0.00 34.95 31.06 3fic s ARG 34 CO -0.01 -1.26 0.00 0.41 -0.81 0.00 0.00 175.30 173.64 3fic n GLY 35 N -2.78 2.15 3.89 8.12 0.00 -0.75 -2.16 105.19 113.66 3fic n GLY 35 Ca 0.11 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 3fic n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fic s VAL 36 N -2.00 5.44 -0.59 1.61 1.01 0.13 -0.78 120.40 125.22 3fic s VAL 36 Ca 0.00 0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 3fic s VAL 36 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.92 3fic s VAL 36 CO 0.00 0.50 1.41 0.00 0.00 0.00 0.00 175.10 177.01 3fic h THR 38 N 6.34 1.29 -3.75 0.00 1.03 -1.40 -3.25 112.91 113.16 3fic h THR 38 Ca -0.27 -1.29 -0.11 0.00 -0.01 0.00 0.00 66.41 64.73 3fic h THR 38 Cb 1.09 1.36 -0.16 0.00 -1.07 0.00 0.00 68.15 69.37 3fic h THR 38 CO 1.20 0.43 -0.45 -0.69 -0.01 0.00 0.00 175.52 175.99 3fic s VAL 39 N -4.62 0.13 -0.37 0.00 1.01 -1.20 -4.79 120.40 110.56 3fic s VAL 39 Ca -0.12 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.76 3fic s VAL 39 Cb 0.10 -1.07 0.14 0.00 0.00 0.00 0.00 36.38 35.54 3fic s VAL 39 CO 0.82 -0.61 0.23 -0.69 0.00 0.00 0.00 175.10 174.85 3fic s VAL 40 N -3.04 0.41 0.00 2.92 1.01 -1.26 -0.75 120.40 119.69 3fic s VAL 40 Ca -0.01 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.01 3fic s VAL 40 Cb 0.01 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 35.09 3fic s VAL 40 CO -0.07 -0.99 0.00 -1.14 0.00 0.00 0.00 175.10 172.91 3fic n ARG 41 N 3.85 3.22 -2.98 2.72 0.63 -1.03 -5.00 116.66 118.07 3fic n ARG 41 Ca 0.13 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 57.08 3fic n ARG 41 Cb 0.37 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.28 3fic n ARG 41 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3fic s THR 42 N 4.06 -0.54 0.00 5.15 -1.32 -1.26 -3.98 115.64 117.75 3fic s THR 42 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3fic s THR 42 Cb 0.00 -0.08 0.00 0.00 -1.51 0.00 0.00 72.50 70.91 3fic s THR 42 CO 0.00 0.00 0.00 1.33 -2.21 0.00 0.00 174.62 173.74 3fic n VAL 43 N 4.17 0.00 -4.52 5.08 0.24 -1.05 -4.85 118.33 117.39 3fic n VAL 43 Ca 0.08 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.16 3fic n VAL 43 Cb 0.60 -1.49 -0.14 0.00 -1.47 0.00 0.00 33.84 31.34 3fic n VAL 43 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3fic s THR 44 N -0.92 1.23 1.03 3.34 -4.23 -1.26 -3.21 115.64 111.62 3fic s THR 44 Ca 0.00 -0.91 -0.24 0.00 -1.18 0.00 0.00 61.69 59.36 3fic s THR 44 Cb 0.00 -1.08 -0.09 0.00 1.34 0.00 0.00 72.50 72.67 3fic s THR 44 CO 0.00 0.16 -1.01 -2.65 -0.54 0.00 0.00 174.62 170.57 3fic n PRO 45 N 2.18 -0.55 0.00 3.99 -0.02 -1.25 -4.92 135.00 134.42 3fic n PRO 45 Ca -0.17 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 3fic n PRO 45 Cb 0.54 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 3fic n PRO 45 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3fic n LYS 46 N 0.99 3.14 0.00 -0.52 4.81 -0.38 -4.89 118.16 121.31 3fic n LYS 46 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 3fic n LYS 46 Cb 0.69 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.74 3fic n LYS 46 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3fic n LYS 47 N 0.00 0.00 -0.15 1.64 4.81 -1.26 -1.71 118.16 121.49 3fic n LYS 47 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 3fic n LYS 47 Cb 0.00 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.18 3fic n LYS 47 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3fic n PRO 48 N -0.60 2.65 -3.70 1.64 -0.04 -1.26 -5.03 135.00 128.65 3fic n PRO 48 Ca 0.00 -1.93 -0.21 0.00 -0.04 0.00 0.00 63.50 61.32 3fic n PRO 48 Cb 0.00 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 3fic n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3fic s ASN 49 N -0.99 5.19 -0.10 3.54 0.02 -0.70 -5.12 114.94 116.79 3fic s ASN 49 Ca 0.21 -0.59 -0.05 0.00 -1.02 0.00 0.00 52.86 51.40 3fic s ASN 49 Cb 0.11 -0.81 0.04 0.00 0.02 0.00 0.00 41.25 40.62 3fic s ASN 49 CO 0.15 -0.48 0.23 -0.55 0.02 0.00 0.00 177.10 176.47 3fic s SER 50 N -4.05 -0.24 0.00 -1.22 0.15 -1.26 -4.42 113.70 102.66 3fic s SER 50 Ca 0.44 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.58 3fic s SER 50 Cb -0.05 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 3fic s SER 50 CO 0.27 -0.16 0.00 0.00 1.20 0.00 0.00 173.24 174.55 3fic n ALA 51 N 4.20 0.00 -3.11 5.45 0.00 -1.26 -4.94 120.51 120.84 3fic n ALA 51 Ca -0.25 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.92 3fic n ALA 51 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 3fic n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fic n LEU 52 N 0.00 4.21 -4.54 0.00 4.77 -1.26 -3.95 117.00 116.23 3fic n LEU 52 Ca 0.00 -5.60 -0.44 0.00 -0.03 0.00 0.00 56.01 49.94 3fic n LEU 52 Cb 0.00 -0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.49 3fic n LEU 52 CO 0.00 2.25 0.40 0.54 -1.33 0.00 0.00 177.39 179.25 3fic n ARG 53 N 0.15 1.04 -3.34 3.23 3.00 -1.20 -4.76 116.66 114.77 3fic n ARG 53 Ca 0.31 0.37 -0.40 0.00 -0.01 0.00 0.00 57.85 58.11 3fic n ARG 53 Cb 0.40 -1.71 -0.09 0.00 0.00 0.00 0.00 32.46 31.06 3fic n ARG 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3fic s LYS 54 N -1.58 3.80 0.21 5.56 3.01 -1.26 -2.53 119.74 126.95 3fic s LYS 54 Ca 0.61 -0.11 0.10 0.00 -1.01 0.00 0.00 55.97 55.56 3fic s LYS 54 Cb -0.68 -3.73 -0.05 0.00 -1.01 0.00 0.00 37.83 32.36 3fic s LYS 54 CO 0.59 -0.44 -0.20 0.08 0.51 0.00 0.00 175.35 175.88 3fic s VAL 55 N 2.16 2.18 -0.07 3.17 1.01 -1.26 -2.72 120.40 124.87 3fic s VAL 55 Ca 0.16 -2.11 -0.04 0.00 0.00 0.00 0.00 61.98 59.98 3fic s VAL 55 Cb -0.16 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.18 3fic s VAL 55 CO 0.11 -0.29 0.17 0.00 0.00 0.00 0.00 175.10 175.09 3fic s ALA 56 N -2.12 -0.36 0.31 5.51 0.00 -0.12 -2.45 121.76 122.53 3fic s ALA 56 Ca 0.22 0.73 -0.21 0.00 0.00 0.00 0.00 51.96 52.70 3fic s ALA 56 Cb -0.06 -0.47 -0.09 0.00 0.00 0.00 0.00 23.12 22.50 3fic s ALA 56 CO 0.10 -0.15 0.84 0.15 0.00 0.00 0.00 175.76 176.69 3fic s LYS 57 N 1.02 4.29 -0.03 0.00 1.02 0.07 0.11 119.74 126.23 3fic s LYS 57 Ca -0.08 1.01 0.01 0.00 0.02 0.00 0.00 55.97 56.93 3fic s LYS 57 Cb -0.10 -2.62 0.02 0.00 -0.52 0.00 0.00 37.83 34.62 3fic s LYS 57 CO -0.06 0.23 -0.02 0.08 -0.92 0.00 0.00 175.35 174.66 3fic s VAL 58 N -1.78 0.29 -0.40 3.17 1.01 0.53 -1.34 120.40 121.88 3fic s VAL 58 Ca 0.51 -0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.22 3fic s VAL 58 Cb -0.14 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.91 3fic s VAL 58 CO 0.19 0.16 0.98 -0.60 0.00 0.00 0.00 175.10 175.83 3fic s ARG 59 N 0.81 3.78 0.72 2.72 6.06 0.33 -0.30 118.95 133.07 3fic s ARG 59 Ca -0.09 0.54 -0.09 0.00 -2.50 0.00 0.00 55.73 53.59 3fic s ARG 59 Cb -0.12 -3.84 0.05 0.00 0.06 0.00 0.00 34.95 31.10 3fic s ARG 59 CO -0.01 -1.09 1.06 -0.51 -2.50 0.00 0.00 175.30 172.25 3fic s LEU 60 N 3.74 2.79 0.13 -0.88 2.01 1.00 0.22 118.68 127.69 3fic s LEU 60 Ca 0.41 0.65 -0.27 0.00 0.01 0.00 0.00 54.13 54.93 3fic s LEU 60 Cb -0.11 -3.30 -0.04 0.00 0.01 0.00 0.00 46.19 42.76 3fic s LEU 60 CO 0.22 -1.59 1.61 0.71 1.01 0.00 0.00 176.35 178.32 3fic h THR 61 N -0.68 0.29 0.00 5.49 1.35 -1.71 -2.85 112.91 114.79 3fic h THR 61 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3fic h THR 61 Cb 1.31 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3fic h THR 61 CO 0.62 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.35 3fic n SER 62 N -5.41 0.91 0.00 5.36 3.41 -1.26 -4.61 113.62 112.02 3fic n SER 62 Ca -0.04 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 3fic n SER 62 Cb 0.33 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3fic n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fic n GLY 63 N 1.90 0.00 3.89 5.00 0.00 -1.08 -4.90 105.19 110.01 3fic n GLY 63 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3fic n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fic s TYR 64 N -0.61 3.53 -0.07 1.61 1.51 -1.24 -4.84 117.35 117.25 3fic s TYR 64 Ca 0.00 0.95 -0.03 0.00 -1.01 0.00 0.00 57.07 56.98 3fic s TYR 64 Cb 0.00 -2.39 0.04 0.00 -0.11 0.00 0.00 41.96 39.50 3fic s TYR 64 CO 0.00 -0.23 0.10 -2.00 -1.11 0.00 0.00 175.55 172.31 3fic s GLU 65 N -4.39 -0.02 0.11 -0.62 2.12 -1.24 0.33 118.70 114.99 3fic s GLU 65 Ca 0.50 0.44 -0.07 0.00 0.36 0.00 0.00 54.97 56.20 3fic s GLU 65 Cb -0.10 -0.47 -0.01 0.00 0.26 0.00 0.00 34.13 33.80 3fic s GLU 65 CO 0.40 -0.34 0.17 0.14 -0.54 0.00 0.00 175.26 175.09 3fic s VAL 66 N 2.22 0.12 0.03 3.70 -7.23 0.59 -4.86 120.40 114.98 3fic s VAL 66 Ca 0.04 -1.44 -0.28 0.00 -1.81 0.00 0.00 61.98 58.49 3fic s VAL 66 Cb -0.12 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 3fic s VAL 66 CO -0.04 -0.56 0.89 0.42 -0.31 0.00 0.00 175.10 175.50 3fic s THR 67 N -3.93 4.77 0.05 5.32 -4.23 -1.26 0.20 115.64 116.55 3fic s THR 67 Ca 0.12 1.89 0.05 0.00 -1.18 0.00 0.00 61.69 62.58 3fic s THR 67 Cb 0.05 -4.24 -0.02 0.00 1.34 0.00 0.00 72.50 69.62 3fic s THR 67 CO -0.06 0.26 -0.16 0.00 -0.54 0.00 0.00 174.62 174.12 3fic s ALA 68 N 0.50 1.30 0.65 3.99 0.00 0.12 -3.98 121.76 124.33 3fic s ALA 68 Ca 0.46 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 3fic s ALA 68 Cb -0.21 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 22.76 3fic s ALA 68 CO 0.26 0.25 0.95 -0.47 0.00 0.00 0.00 175.76 176.75 3fic s TYR 69 N -0.94 3.03 -0.06 0.00 5.04 0.14 -0.94 117.35 123.61 3fic s TYR 69 Ca 0.02 0.46 -0.00 0.00 -2.44 0.00 0.00 57.07 55.11 3fic s TYR 69 Cb -0.08 -2.99 0.03 0.00 0.35 0.00 0.00 41.96 39.26 3fic s TYR 69 CO 0.02 -1.15 -0.02 0.42 -1.34 0.00 0.00 175.55 173.48 3fic s ILE 70 N -3.10 0.48 1.08 3.14 1.09 -1.10 -1.76 121.20 121.02 3fic s ILE 70 Ca 0.58 -0.01 -0.18 0.00 -1.10 0.00 0.00 60.65 59.94 3fic s ILE 70 Cb -0.11 -0.57 0.26 0.00 -1.06 0.00 0.00 42.46 40.98 3fic s ILE 70 CO 0.44 0.25 1.22 -2.65 -0.10 0.00 0.00 174.94 174.10 3fic n PRO 71 N 4.65 -2.10 -0.05 2.79 -0.02 -1.26 -4.69 135.00 134.32 3fic n PRO 71 Ca -0.15 -1.91 0.01 0.00 -2.02 0.00 0.00 63.50 59.42 3fic n PRO 71 Cb 0.50 -1.48 -0.00 0.00 -0.02 0.00 0.00 33.50 32.50 3fic n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fic n GLY 72 N -4.12 -0.07 3.73 -1.23 0.00 -1.26 -4.76 105.19 97.48 3fic n GLY 72 Ca 0.16 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3fic n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fic s GLU 73 N -0.81 4.58 0.47 1.61 2.02 -1.26 -4.90 118.70 120.42 3fic s GLU 73 Ca 0.00 1.25 0.00 0.00 0.02 0.00 0.00 54.97 56.24 3fic s GLU 73 Cb 0.00 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.85 3fic s GLU 73 CO 0.00 0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.92 3fic n GLY 74 N 2.38 -2.53 0.00 -1.39 0.00 -1.26 -4.82 105.19 97.57 3fic n GLY 74 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3fic n GLY 74 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3fic n HIS 75 N -4.11 0.00 -2.65 1.61 1.44 -1.26 -5.01 115.22 105.24 3fic n HIS 75 Ca -0.05 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.63 3fic n HIS 75 Cb 0.65 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.87 3fic n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3fic n ASN 76 N 0.00 -1.34 -4.78 4.39 6.94 -1.26 -5.07 115.26 114.14 3fic n ASN 76 Ca 0.00 -2.08 -0.37 0.00 -0.02 0.00 0.00 54.58 52.11 3fic n ASN 76 Cb 0.00 0.67 -0.06 0.00 -2.36 0.00 0.00 39.78 38.03 3fic n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3fic s LEU 77 N -3.36 4.36 0.40 -4.53 1.43 -1.26 -4.91 118.68 110.81 3fic s LEU 77 Ca 0.10 0.77 0.07 0.00 -1.03 0.00 0.00 54.13 54.04 3fic s LEU 77 Cb 0.37 -2.52 -0.07 0.00 0.03 0.00 0.00 46.19 44.00 3fic s LEU 77 CO -0.10 0.19 0.09 -1.10 0.23 0.00 0.00 176.35 175.66 3fic s GLN 78 N -0.25 2.09 0.08 1.70 -0.21 -1.26 -4.94 119.66 116.86 3fic s GLN 78 Ca 0.22 -1.96 0.02 0.00 0.02 0.00 0.00 55.36 53.66 3fic s GLN 78 Cb -0.15 -1.82 0.11 0.00 1.00 0.00 0.00 33.01 32.15 3fic s GLN 78 CO 0.09 -0.06 0.79 -1.91 -2.12 0.00 0.00 175.29 172.08 3fic n GLU 79 N -1.09 0.01 -1.60 2.91 2.13 -1.26 -1.10 120.64 120.64 3fic n GLU 79 Ca -0.03 0.27 0.04 0.00 0.66 0.00 0.00 57.16 58.10 3fic n GLU 79 Cb 0.65 -1.89 0.03 0.00 0.27 0.00 0.00 31.44 30.50 3fic n GLU 79 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3fic n HIS 80 N -1.37 0.12 -2.93 4.31 8.25 -1.23 -4.33 115.22 118.05 3fic n HIS 80 Ca -0.00 -0.67 -0.41 0.00 -0.26 0.00 0.00 57.72 56.38 3fic n HIS 80 Cb 0.34 -0.16 -0.04 0.00 1.12 0.00 0.00 29.99 31.25 3fic n HIS 80 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3fic s SER 81 N -2.20 7.07 0.30 0.41 0.01 -0.26 -4.78 113.70 114.24 3fic s SER 81 Ca 0.33 1.29 -0.29 0.00 1.31 0.00 0.00 55.95 58.60 3fic s SER 81 Cb 0.38 -2.46 -0.09 0.00 0.21 0.00 0.00 66.02 64.06 3fic s SER 81 CO -0.16 -0.23 1.09 -0.69 0.41 0.00 0.00 173.24 173.67 3fic s VAL 82 N 1.22 3.53 0.17 3.43 1.01 -1.26 -1.44 120.40 127.05 3fic s VAL 82 Ca 0.41 1.48 -0.16 0.00 0.00 0.00 0.00 61.98 63.71 3fic s VAL 82 Cb -0.18 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.31 3fic s VAL 82 CO 0.19 0.31 0.46 -0.69 0.00 0.00 0.00 175.10 175.36 3fic s VAL 83 N -1.24 0.04 -0.21 2.92 1.01 0.04 -1.72 120.40 121.25 3fic s VAL 83 Ca 0.46 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 3fic s VAL 83 Cb -0.30 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 3fic s VAL 83 CO 0.39 -0.20 0.00 -0.22 0.00 0.00 0.00 175.10 175.07 3fic s LEU 84 N -2.85 3.20 -0.11 3.92 0.20 -1.26 -1.81 118.68 119.96 3fic s LEU 84 Ca 0.08 -0.25 -0.19 0.00 0.69 0.00 0.00 54.13 54.46 3fic s LEU 84 Cb 0.00 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 3fic s LEU 84 CO -0.06 0.03 0.53 -0.63 -0.29 0.00 0.00 176.35 175.93 3fic s ILE 85 N 1.20 5.15 -0.18 6.68 1.09 0.01 0.50 121.20 135.66 3fic s ILE 85 Ca 0.03 1.06 0.11 0.00 -1.10 0.00 0.00 60.65 60.75 3fic s ILE 85 Cb -0.15 -3.87 -0.23 0.00 -1.06 0.00 0.00 42.46 37.16 3fic s ILE 85 CO 0.01 0.30 0.13 -1.14 -0.10 0.00 0.00 174.94 174.14 3fic n ARG 86 N 3.78 0.68 -0.79 2.79 0.63 0.33 -2.65 116.66 121.42 3fic n ARG 86 Ca -0.06 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 3fic n ARG 86 Cb 0.51 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.84 3fic n ARG 86 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3fic n GLY 87 N 1.87 -1.59 3.15 5.14 0.00 -1.21 -4.81 105.19 107.73 3fic n GLY 87 Ca -0.33 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.24 3fic n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fic s GLY 88 N 0.00 -0.82 0.73 -0.02 0.00 -1.15 -4.69 107.32 101.36 3fic s GLY 88 Ca 0.00 2.05 -0.16 0.00 0.00 0.00 0.00 44.72 46.61 3fic s GLY 88 CO 0.00 3.68 1.11 -0.96 0.00 0.00 0.00 173.10 176.93 3fic n ARG 89 N 5.40 0.56 -2.83 2.90 -4.01 -1.21 -3.26 116.66 114.20 3fic n ARG 89 Ca -0.00 0.25 -0.31 0.00 -1.04 0.00 0.00 57.85 56.75 3fic n ARG 89 Cb 0.53 -2.35 -0.02 0.00 -3.04 0.00 0.00 32.46 27.58 3fic n ARG 89 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 3fic n VAL 90 N -2.59 3.88 -0.74 8.89 0.31 -0.90 -4.90 118.33 122.28 3fic n VAL 90 Ca 0.14 -5.65 0.00 0.00 -0.01 0.00 0.00 64.34 58.81 3fic n VAL 90 Cb 0.49 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 3fic n VAL 90 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3fic n LYS 91 N -0.21 0.00 0.00 5.55 3.00 -1.26 -1.80 118.16 123.43 3fic n LYS 91 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.67 3fic n LYS 91 Cb 0.36 -0.74 0.00 0.00 0.00 0.00 0.00 35.03 34.65 3fic n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3fic n ASP 92 N 3.32 0.00 -3.64 3.14 2.03 -1.26 -5.07 116.55 115.06 3fic n ASP 92 Ca 0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 3fic n ASP 92 Cb 0.37 0.00 -0.18 0.00 -0.72 0.00 0.00 41.12 40.59 3fic n ASP 92 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3fic s LEU 93 N 0.00 0.24 0.26 -2.67 1.43 -0.75 -1.25 118.68 115.94 3fic s LEU 93 Ca 0.00 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 3fic s LEU 93 Cb 0.00 -0.19 -0.11 0.00 0.03 0.00 0.00 46.19 45.92 3fic s LEU 93 CO 0.00 -0.29 1.58 -2.84 0.23 0.00 0.00 176.35 175.03 3fic s PRO 94 N 2.15 4.16 0.00 1.29 0.02 -1.26 -3.44 135.00 137.92 3fic s PRO 94 Ca 0.04 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3fic s PRO 94 Cb -0.14 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3fic s PRO 94 CO -0.06 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 3fic n GLY 95 N 2.53 2.60 3.44 0.52 0.00 -1.26 -4.99 105.19 108.04 3fic n GLY 95 Ca 0.09 -0.58 -0.46 0.00 0.00 0.00 0.00 46.02 45.07 3fic n GLY 95 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fic n VAL 96 N 0.00 0.02 -0.57 1.61 0.31 -1.22 -4.73 118.33 113.75 3fic n VAL 96 Ca 0.00 -0.18 0.04 0.00 -0.01 0.00 0.00 64.34 64.20 3fic n VAL 96 Cb 0.00 -1.08 0.06 0.00 -0.91 0.00 0.00 33.84 31.91 3fic n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3fic n ARG 97 N 8.30 2.04 -3.74 5.55 1.74 -1.26 -2.11 116.66 127.17 3fic n ARG 97 Ca 0.54 -1.92 -0.13 0.00 -0.77 0.00 0.00 57.85 55.57 3fic n ARG 97 Cb 0.13 -1.18 -0.10 0.00 -1.02 0.00 0.00 32.46 30.29 3fic n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3fic s TYR 98 N -1.76 -0.39 0.18 -1.55 1.51 -1.20 -2.95 117.35 111.19 3fic s TYR 98 Ca 0.14 0.93 0.04 0.00 -1.01 0.00 0.00 57.07 57.17 3fic s TYR 98 Cb 0.12 0.14 -0.03 0.00 -0.11 0.00 0.00 41.96 42.08 3fic s TYR 98 CO 0.01 -0.23 0.26 -1.01 -1.11 0.00 0.00 175.55 173.48 3fic s HIS 99 N -0.00 3.38 -0.20 2.71 3.76 -1.23 0.24 115.29 123.96 3fic s HIS 99 Ca -0.02 0.04 -0.14 0.00 -0.15 0.00 0.00 55.06 54.79 3fic s HIS 99 Cb -0.03 -1.59 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 3fic s HIS 99 CO 0.01 0.50 0.31 0.42 -0.85 0.00 0.00 174.74 175.13 3fic s ILE 100 N -1.83 5.27 -0.49 0.60 1.01 -0.72 0.12 121.20 125.15 3fic s ILE 100 Ca 0.34 0.52 -0.26 0.00 0.00 0.00 0.00 60.65 61.25 3fic s ILE 100 Cb -0.10 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 3fic s ILE 100 CO 0.27 0.31 2.20 -0.69 0.00 0.00 0.00 174.94 177.03 3fic s VAL 101 N 1.07 3.13 0.93 2.92 1.01 0.18 -4.73 120.40 124.91 3fic s VAL 101 Ca 0.15 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.11 3fic s VAL 101 Cb -0.14 -3.31 0.09 0.00 0.00 0.00 0.00 36.38 33.02 3fic s VAL 101 CO 0.06 -0.29 0.81 0.54 0.00 0.00 0.00 175.10 176.22 3fic n ARG 102 N 9.00 -0.35 -2.08 2.72 5.12 -1.26 -3.45 116.66 126.37 3fic n ARG 102 Ca 0.31 -0.05 -0.19 0.00 -1.93 0.00 0.00 57.85 55.99 3fic n ARG 102 Cb 0.53 -2.14 -0.04 0.00 -1.16 0.00 0.00 32.46 29.65 3fic n ARG 102 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fic n GLY 103 N 0.86 0.38 3.19 -0.13 0.00 -1.17 -4.38 105.19 103.94 3fic n GLY 103 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 3fic n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fic s VAL 104 N -2.81 1.24 0.00 1.61 1.01 -0.78 -4.76 120.40 115.91 3fic s VAL 104 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.73 3fic s VAL 104 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.23 3fic s VAL 104 CO 0.00 -0.11 0.00 -1.22 0.00 0.00 0.00 175.10 173.77 3fic n TYR 105 N 1.46 0.00 0.56 5.22 0.53 -1.26 0.24 117.16 123.90 3fic n TYR 105 Ca -0.20 0.00 0.12 0.00 -1.02 0.00 0.00 57.90 56.80 3fic n TYR 105 Cb 0.54 0.00 0.45 0.00 -1.03 0.00 0.00 39.34 39.31 3fic n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3fic n ASP 106 N 3.09 0.58 -4.67 7.72 9.92 -0.70 -4.75 116.55 127.74 3fic n ASP 106 Ca 0.00 0.60 -0.42 0.00 -0.53 0.00 0.00 54.79 54.43 3fic n ASP 106 Cb 0.00 -0.73 -0.03 0.00 -0.64 0.00 0.00 41.12 39.72 3fic n ASP 106 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fic s ALA 107 N -3.17 3.62 -0.05 2.24 0.00 0.14 -4.90 121.76 119.64 3fic s ALA 107 Ca 0.08 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 52.70 3fic s ALA 107 Cb 0.12 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 3fic s ALA 107 CO 0.47 -1.17 0.43 0.00 0.00 0.00 0.00 175.76 175.49 3fic s ALA 108 N 3.30 3.61 1.33 0.00 0.00 -1.26 -1.87 121.76 126.86 3fic s ALA 108 Ca 0.66 -0.21 -0.20 0.00 0.00 0.00 0.00 51.96 52.21 3fic s ALA 108 Cb -0.30 -2.49 0.32 0.00 0.00 0.00 0.00 23.12 20.64 3fic s ALA 108 CO 0.25 0.28 0.75 0.41 0.00 0.00 0.00 175.76 177.45 3fic n GLY 109 N 2.43 -3.33 3.72 0.00 0.00 -1.26 -3.99 105.19 102.76 3fic n GLY 109 Ca -0.11 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 3fic n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fic s VAL 110 N -2.15 5.08 -0.06 1.61 1.01 -1.14 -4.86 120.40 119.89 3fic s VAL 110 Ca 0.60 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 63.60 3fic s VAL 110 Cb -0.13 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 3fic s VAL 110 CO 0.53 0.28 1.03 -0.75 0.00 0.00 0.00 175.10 176.19 3fic s LYS 111 N 0.71 4.46 -0.96 2.72 2.20 -1.26 -3.81 119.74 123.80 3fic s LYS 111 Ca 0.34 1.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.40 3fic s LYS 111 Cb -0.17 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 3fic s LYS 111 CO 0.16 -0.25 0.00 -0.25 -0.36 0.00 0.00 175.35 174.65 3fic n ASP 112 N 4.64 -4.56 -4.75 1.43 10.43 -1.26 -5.00 116.55 117.48 3fic n ASP 112 Ca 0.08 0.22 -0.40 0.00 2.57 0.00 0.00 54.79 57.26 3fic n ASP 112 Cb 0.49 -2.85 -0.04 0.00 1.84 0.00 0.00 41.12 40.55 3fic n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3fic s ARG 113 N -2.54 4.66 0.00 -1.24 6.06 -1.25 -4.90 118.95 119.74 3fic s ARG 113 Ca 0.00 1.72 0.00 0.00 -2.50 0.00 0.00 55.73 54.95 3fic s ARG 113 Cb 0.00 -3.24 0.00 0.00 0.06 0.00 0.00 34.95 31.77 3fic s ARG 113 CO 0.00 0.22 0.00 1.63 -2.50 0.00 0.00 175.30 174.65 3fic n LYS 114 N 1.67 2.10 0.00 5.12 5.02 -1.26 -4.99 118.16 125.83 3fic n LYS 114 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3fic n LYS 114 Cb 0.46 -0.81 0.00 0.00 -0.02 0.00 0.00 35.03 34.65 3fic n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3fic n LYS 115 N -1.20 0.00 -1.67 1.97 4.76 -1.26 -4.84 118.16 115.91 3fic n LYS 115 Ca 0.00 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 54.99 3fic n LYS 115 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 3fic n LYS 115 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3fic n SER 116 N 0.00 3.81 0.00 4.39 7.64 -1.26 -4.77 113.62 123.43 3fic n SER 116 Ca 0.00 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.83 3fic n SER 116 Cb 0.00 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.74 3fic n SER 116 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3fic n ARG 117 N 6.70 2.09 -0.25 1.43 1.74 -1.26 -4.63 116.66 122.47 3fic n ARG 117 Ca 0.21 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.34 3fic n ARG 117 Cb 0.35 -0.88 0.19 0.00 -1.02 0.00 0.00 32.46 31.10 3fic n ARG 117 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3fic h SER 118 N 0.00 0.16 -3.51 0.55 0.87 -1.86 -2.29 113.55 107.47 3fic h SER 118 Ca 0.00 0.13 -0.53 0.00 -1.23 0.00 0.00 61.79 60.16 3fic h SER 118 Cb 0.30 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 3fic h SER 118 CO 0.00 0.04 0.17 -0.54 -0.53 0.00 0.00 176.83 175.97 3fic s LYS 119 N -6.03 4.55 0.00 2.24 1.02 -1.26 -3.35 119.74 116.91 3fic s LYS 119 Ca -0.13 1.14 0.00 0.00 0.02 0.00 0.00 55.97 57.00 3fic s LYS 119 Cb 0.21 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.26 3fic s LYS 119 CO 0.76 0.57 0.00 0.66 -0.92 0.00 0.00 175.35 176.42 3fic n TYR 120 N 1.58 0.00 -3.69 3.18 4.02 -1.24 -4.54 117.16 116.46 3fic n TYR 120 Ca -0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.53 3fic n TYR 120 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.75 3fic n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fic n GLY 121 N -2.66 -0.28 3.72 2.72 0.00 -0.89 -2.87 105.19 104.92 3fic n GLY 121 Ca 0.00 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3fic n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fic s THR 122 N -2.66 5.13 0.59 2.61 2.01 -1.04 -4.58 115.64 117.71 3fic s THR 122 Ca 0.58 1.13 -0.19 0.00 0.31 0.00 0.00 61.69 63.52 3fic s THR 122 Cb -0.34 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 3fic s THR 122 CO 0.74 0.29 1.23 -0.54 -0.69 0.00 0.00 174.62 175.64 3fic s LYS 123 N 0.78 2.94 -0.34 4.92 -0.14 -1.26 -4.71 119.74 121.93 3fic s LYS 123 Ca 0.30 1.88 -0.29 0.00 -1.36 0.00 0.00 55.97 56.50 3fic s LYS 123 Cb -0.16 -1.95 -0.00 0.00 -1.68 0.00 0.00 37.83 34.04 3fic s LYS 123 CO 0.13 -1.24 1.49 0.21 -0.76 0.00 0.00 175.35 175.17 3fic s LYS 124 N -3.29 3.66 0.72 1.68 2.47 -1.26 -5.00 119.74 118.72 3fic s LYS 124 Ca 0.78 1.23 -0.11 0.00 -1.56 0.00 0.00 55.97 56.30 3fic s LYS 124 Cb -0.32 -4.02 0.03 0.00 -1.46 0.00 0.00 37.83 32.06 3fic s LYS 124 CO 0.35 -1.46 1.07 -1.25 0.16 0.00 0.00 175.35 174.22 3fic s PRO 125 N 4.82 2.68 0.03 4.03 0.04 -1.26 -5.06 135.00 140.29 3fic s PRO 125 Ca 0.65 1.05 -0.06 0.00 0.04 0.00 0.00 61.00 62.68 3fic s PRO 125 Cb -0.18 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 3fic s PRO 125 CO 0.30 -1.31 0.28 0.21 0.04 0.00 0.00 177.00 176.52 3fic s LYS 126 N -4.97 3.57 0.07 4.56 2.47 -1.26 -5.01 119.74 119.18 3fic s LYS 126 Ca 0.59 -0.11 0.22 0.00 -1.56 0.00 0.00 55.97 55.11 3fic s LYS 126 Cb -0.15 -3.04 -0.18 0.00 -1.46 0.00 0.00 37.83 32.99 3fic s LYS 126 CO 0.55 0.62 0.73 0.39 0.16 0.00 0.00 175.35 177.80 3fic n GLU 127 N 0.90 0.64 -3.92 4.03 -0.58 -1.26 -5.00 120.64 115.44 3fic n GLU 127 Ca -0.09 -0.03 -0.26 0.00 -0.42 0.00 0.00 57.16 56.35 3fic n GLU 127 Cb 0.52 -1.67 -0.01 0.00 -0.57 0.00 0.00 31.44 29.71 3fic n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fic n ALA 128 N -2.25 -2.09 0.00 0.62 0.00 -1.26 -5.39 120.51 110.14 3fic n ALA 128 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3fic n ALA 128 Cb 0.59 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3fic n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50