#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6f s GLU 2 N 0.00 4.37 0.81 1.97 2.12 -1.26 -5.01 118.70 121.71 3i6f s GLU 2 Ca 0.00 2.11 -0.11 0.00 0.36 0.00 0.00 54.97 57.34 3i6f s GLU 2 Cb 0.00 -3.16 0.08 0.00 0.26 0.00 0.00 34.13 31.31 3i6f s GLU 2 CO 0.00 -0.25 1.09 0.95 -0.54 0.00 0.00 175.26 176.51 3i6f s THR 3 N -0.15 3.09 0.22 -1.70 -4.23 -1.26 -4.84 115.64 106.77 3i6f s THR 3 Ca 0.55 0.35 -0.06 0.00 -1.18 0.00 0.00 61.69 61.36 3i6f s THR 3 Cb -0.38 -2.81 0.11 0.00 1.34 0.00 0.00 72.50 70.77 3i6f s THR 3 CO 0.41 -0.46 1.73 0.00 -0.54 0.00 0.00 174.62 175.76 3i6f h ALA 4 N -1.28 1.00 -0.54 3.99 0.00 -1.95 -0.70 119.26 119.78 3i6f h ALA 4 Ca -0.45 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.11 3i6f h ALA 4 Cb 1.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3i6f h ALA 4 CO 0.51 0.63 -0.01 0.00 0.00 0.00 0.00 179.25 180.39 3i6f h ALA 5 N 1.15 0.73 -0.32 0.00 0.00 -1.90 -1.73 119.26 117.18 3i6f h ALA 5 Ca 0.19 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3i6f h ALA 5 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3i6f h ALA 5 CO 0.01 0.56 -0.31 0.00 0.00 0.00 0.00 179.25 179.51 3i6f h ALA 6 N 0.95 0.85 -0.73 0.00 0.00 -1.84 -1.91 119.26 116.59 3i6f h ALA 6 Ca 0.15 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3i6f h ALA 6 Cb 0.54 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3i6f h ALA 6 CO 0.03 0.63 0.33 -0.22 0.00 0.00 0.00 179.25 180.02 3i6f h LYS 7 N 0.58 1.07 -0.52 0.00 3.64 -0.97 -1.00 116.57 119.37 3i6f h LYS 7 Ca 0.07 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3i6f h LYS 7 Cb 0.82 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3i6f h LYS 7 CO 0.07 0.86 0.30 0.35 -2.27 0.00 0.00 179.45 178.75 3i6f h PHE 8 N 1.04 0.71 -0.05 1.91 3.04 -1.06 -0.17 116.94 122.36 3i6f h PHE 8 Ca 0.25 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.21 3i6f h PHE 8 Cb 0.16 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.42 3i6f h PHE 8 CO 0.01 0.51 -0.07 0.93 -2.02 0.00 0.00 178.31 177.67 3i6f h GLU 9 N 0.70 -0.10 -0.61 1.11 5.08 -1.01 0.29 114.58 120.04 3i6f h GLU 9 Ca 0.19 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3i6f h GLU 9 Cb 0.03 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3i6f h GLU 9 CO -0.03 -0.07 0.31 -0.09 -1.00 0.00 0.00 179.01 178.13 3i6f h ARG 10 N -0.10 0.88 0.00 2.33 2.43 -0.95 -1.76 114.38 117.20 3i6f h ARG 10 Ca 0.05 -0.12 -0.18 0.00 -0.81 0.00 0.00 59.98 58.91 3i6f h ARG 10 Cb 0.17 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3i6f h ARG 10 CO -0.11 0.69 -0.88 1.96 -1.51 0.00 0.00 179.97 180.12 3i6f h GLN 11 N 0.84 0.00 0.00 0.20 4.20 -0.89 -3.41 115.11 116.05 3i6f h GLN 11 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3i6f h GLN 11 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3i6f h GLN 11 CO -0.03 0.88 0.00 0.72 -0.67 0.00 0.00 178.83 179.73 3i6f n HIS 12 N -3.46 0.00 -3.94 2.96 8.25 0.08 -4.64 115.22 114.47 3i6f n HIS 12 Ca -0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 3i6f n HIS 12 Cb 0.85 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.86 3i6f n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3i6f s MET 13 N -0.47 3.96 -0.39 -0.41 -1.94 -0.67 -0.12 119.30 119.26 3i6f s MET 13 Ca 0.00 -0.34 0.03 0.00 -1.71 0.00 0.00 55.69 53.66 3i6f s MET 13 Cb 0.00 -3.26 0.16 0.00 2.01 0.00 0.00 34.83 33.74 3i6f s MET 13 CO 0.00 0.21 0.30 0.34 -0.01 0.00 0.00 175.02 175.86 3i6f s ASP 14 N 0.55 1.92 0.00 3.03 2.15 -0.25 -4.84 116.67 119.24 3i6f s ASP 14 Ca 0.04 -2.80 0.20 0.00 0.43 0.00 0.00 52.55 50.42 3i6f s ASP 14 Cb -0.13 -0.43 0.98 0.00 -0.30 0.00 0.00 42.92 43.04 3i6f s ASP 14 CO 0.01 -0.21 1.66 -1.20 -0.17 0.00 0.00 175.17 175.25 3i6f n SER 15 N 3.21 0.68 -0.18 -0.34 7.64 -1.26 -3.94 113.62 119.43 3i6f n SER 15 Ca 0.24 -1.53 0.12 0.00 1.01 0.00 0.00 58.87 58.71 3i6f n SER 15 Cb 0.44 -0.04 0.13 0.00 -1.01 0.00 0.00 64.21 63.74 3i6f n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i6f n SER 16 N -0.34 1.12 -4.07 6.43 3.41 -1.26 -4.86 113.62 114.04 3i6f n SER 16 Ca 0.15 -0.90 -0.14 0.00 -0.26 0.00 0.00 58.87 57.73 3i6f n SER 16 Cb 0.17 0.46 -0.12 0.00 -0.26 0.00 0.00 64.21 64.47 3i6f n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3i6f s THR 17 N -2.75 0.60 -0.23 6.66 -4.23 -1.25 -5.03 115.64 109.41 3i6f s THR 17 Ca 0.15 -1.09 0.21 0.00 -1.18 0.00 0.00 61.69 59.79 3i6f s THR 17 Cb 0.18 -0.66 0.24 0.00 1.34 0.00 0.00 72.50 73.60 3i6f s THR 17 CO 0.67 -0.35 1.61 0.77 -0.54 0.00 0.00 174.62 176.77 3i6f h SER 18 N 4.51 0.00 -4.53 3.99 4.64 -1.89 -3.44 113.55 116.82 3i6f h SER 18 Ca -0.36 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.19 3i6f h SER 18 Cb 1.20 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.12 3i6f h SER 18 CO 0.41 0.20 0.73 0.00 -0.87 0.00 0.00 176.83 177.30 3i6f s ALA 19 N -3.21 -2.02 0.18 5.18 0.00 -1.26 -4.85 121.76 115.78 3i6f s ALA 19 Ca 0.05 1.32 -0.32 0.00 0.00 0.00 0.00 51.96 53.01 3i6f s ALA 19 Cb 0.07 0.08 -0.11 0.00 0.00 0.00 0.00 23.12 23.15 3i6f s ALA 19 CO 0.68 -0.68 1.75 0.00 0.00 0.00 0.00 175.76 177.51 3i6f s ALA 20 N -2.60 3.89 -0.97 0.00 0.00 -1.26 -4.90 121.76 115.91 3i6f s ALA 20 Ca 0.09 1.55 0.22 0.00 0.00 0.00 0.00 51.96 53.82 3i6f s ALA 20 Cb -0.00 -3.71 -0.08 0.00 0.00 0.00 0.00 23.12 19.33 3i6f s ALA 20 CO -0.05 -1.00 1.00 -1.13 0.00 0.00 0.00 175.76 174.58 3i6f n SER 21 N 4.44 0.87 -3.68 0.00 3.41 -1.26 -5.01 113.62 112.39 3i6f n SER 21 Ca 0.16 -0.81 -0.08 0.00 -0.26 0.00 0.00 58.87 57.89 3i6f n SER 21 Cb 0.36 0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 65.15 3i6f n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3i6f s SER 22 N -3.05 -0.34 0.52 4.04 1.04 -1.26 -5.03 113.70 109.62 3i6f s SER 22 Ca 0.08 -0.34 0.35 0.00 0.48 0.00 0.00 55.95 56.52 3i6f s SER 22 Cb 0.16 0.61 1.78 0.00 0.10 0.00 0.00 66.02 68.67 3i6f s SER 22 CO 0.83 -1.08 2.06 0.77 0.98 0.00 0.00 173.24 176.81 3i6f h SER 23 N 2.00 0.00 0.18 7.02 4.64 -1.95 -2.33 113.55 123.11 3i6f h SER 23 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3i6f h SER 23 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3i6f h SER 23 CO 0.28 0.00 -0.15 0.59 -0.87 0.00 0.00 176.83 176.68 3i6f n ASN 24 N -2.80 1.03 -0.15 4.97 3.02 -1.26 -4.38 115.26 115.70 3i6f n ASN 24 Ca -0.01 -1.01 -0.04 0.00 -0.03 0.00 0.00 54.58 53.49 3i6f n ASN 24 Cb 0.12 0.06 0.03 0.00 -0.61 0.00 0.00 39.78 39.38 3i6f n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3i6f h TYR 25 N 1.39 -0.30 -0.23 3.10 3.20 -1.81 -2.42 116.97 119.90 3i6f h TYR 25 Ca 0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3i6f h TYR 25 Cb 0.46 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 3i6f h TYR 25 CO 0.00 -0.22 0.01 0.00 -1.64 0.00 0.00 178.16 176.31 3i6f h ASN 27 N 0.17 0.21 -0.13 0.00 2.35 -1.77 0.77 115.58 117.18 3i6f h ASN 27 Ca 0.07 0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3i6f h ASN 27 Cb 0.37 0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 3i6f h ASN 27 CO 0.01 0.07 -0.11 1.56 -1.65 0.00 0.00 177.43 177.30 3i6f h GLN 28 N 0.39 0.31 -0.18 0.81 4.20 -1.10 -3.01 115.11 116.54 3i6f h GLN 28 Ca 0.41 -0.16 -0.20 0.00 0.06 0.00 0.00 58.65 58.76 3i6f h GLN 28 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3i6f h GLN 28 CO -0.43 0.69 -0.69 0.52 -0.67 0.00 0.00 178.83 178.26 3i6f h MET 29 N -0.06 0.72 -0.55 1.46 2.86 -0.67 -1.65 114.93 117.04 3i6f h MET 29 Ca 0.02 -0.54 -0.02 0.00 -2.06 0.00 0.00 59.70 57.10 3i6f h MET 29 Cb 0.63 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 3i6f h MET 29 CO 0.03 1.16 0.26 0.52 1.06 0.00 0.00 176.91 179.93 3i6f h MET 30 N 0.52 0.78 -0.00 1.72 2.86 -0.95 -0.67 114.93 119.18 3i6f h MET 30 Ca -0.03 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3i6f h MET 30 Cb 1.29 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.80 3i6f h MET 30 CO 0.14 0.61 -0.00 -0.22 1.06 0.00 0.00 176.91 178.50 3i6f h LYS 31 N 0.78 0.00 0.00 1.72 3.64 -1.42 0.27 116.57 121.56 3i6f h LYS 31 Ca 0.19 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 3i6f h LYS 31 Cb 0.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3i6f h LYS 31 CO -0.02 0.58 -0.49 0.66 -2.27 0.00 0.00 179.45 177.91 3i6f h SER 32 N -0.57 0.00 -0.18 4.20 4.64 -1.15 -1.46 113.55 119.02 3i6f h SER 32 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i6f h SER 32 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3i6f h SER 32 CO 0.00 0.49 0.00 0.54 -0.87 0.00 0.00 176.83 176.99 3i6f n ARG 33 N -3.82 1.53 -3.50 4.77 5.12 -0.27 -4.90 116.66 115.59 3i6f n ARG 33 Ca -0.01 -0.70 -0.21 0.00 -1.93 0.00 0.00 57.85 55.00 3i6f n ARG 33 Cb 0.53 -1.23 0.08 0.00 -1.16 0.00 0.00 32.46 30.67 3i6f n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3i6f n ASN 34 N 0.07 -5.32 -1.02 0.55 5.03 -0.55 -4.86 115.26 109.16 3i6f n ASN 34 Ca 0.06 -0.52 0.10 0.00 0.87 0.00 0.00 54.58 55.09 3i6f n ASN 34 Cb 0.21 -4.79 0.21 0.00 -1.02 0.00 0.00 39.78 34.39 3i6f n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3i6f n LEU 35 N -4.59 3.32 -0.72 3.41 4.77 0.08 -4.29 117.00 118.97 3i6f n LEU 35 Ca -0.05 -1.69 0.05 0.00 -0.03 0.00 0.00 56.01 54.30 3i6f n LEU 35 Cb 0.58 -0.28 0.10 0.00 -2.33 0.00 0.00 43.42 41.49 3i6f n LEU 35 CO 0.60 0.77 0.30 0.35 -1.33 0.00 0.00 177.39 178.08 3i6f n THR 36 N 1.23 1.12 0.36 -5.08 -2.24 -1.19 -2.01 114.28 106.46 3i6f n THR 36 Ca 0.18 -1.82 -0.14 0.00 -2.27 0.00 0.00 64.05 59.99 3i6f n THR 36 Cb 0.54 0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.94 3i6f n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3i6f h LYS 37 N 0.61 -0.90 0.00 -0.78 3.64 -1.90 -3.38 116.57 113.86 3i6f h LYS 37 Ca -0.06 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3i6f h LYS 37 Cb 1.33 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3i6f h LYS 37 CO 0.03 -0.60 -1.75 -0.25 -2.27 0.00 0.00 179.45 174.61 3i6f n ASP 38 N -5.21 1.29 -3.62 4.20 8.00 -1.26 -5.03 116.55 114.92 3i6f n ASP 38 Ca -0.12 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.29 3i6f n ASP 38 Cb 0.37 1.72 -0.02 0.00 -0.02 0.00 0.00 41.12 43.17 3i6f n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i6f s ARG 39 N -3.11 1.40 -0.31 -1.24 1.70 -1.26 -5.05 118.95 111.08 3i6f s ARG 39 Ca -0.06 -0.65 -0.27 0.00 -0.47 0.00 0.00 55.73 54.28 3i6f s ARG 39 Cb 0.10 0.56 0.01 0.00 -0.57 0.00 0.00 34.95 35.05 3i6f s ARG 39 CO 0.67 -0.63 0.98 0.00 -1.08 0.00 0.00 175.30 175.25 3i6f s LYS 41 N 3.40 4.16 0.16 0.00 2.20 -0.85 -4.90 119.74 123.92 3i6f s LYS 41 Ca 0.41 2.48 -0.12 0.00 -0.36 0.00 0.00 55.97 58.39 3i6f s LYS 41 Cb -0.13 -3.61 0.06 0.00 -1.51 0.00 0.00 37.83 32.64 3i6f s LYS 41 CO 0.14 -0.80 1.68 -1.35 -0.36 0.00 0.00 175.35 174.66 3i6f h PRO 42 N 8.51 0.89 -3.63 4.03 0.11 -1.94 -3.44 132.00 136.54 3i6f h PRO 42 Ca -0.45 -0.20 -0.24 0.00 0.11 0.00 0.00 66.00 65.22 3i6f h PRO 42 Cb 1.21 -0.12 -0.29 0.00 0.11 0.00 0.00 31.00 31.90 3i6f h PRO 42 CO 0.94 0.82 -0.70 0.08 -0.21 0.00 0.00 178.00 178.93 3i6f s VAL 43 N -5.36 -0.02 -0.27 3.15 1.01 -1.26 -1.44 120.40 116.21 3i6f s VAL 43 Ca -0.13 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 3i6f s VAL 43 Cb 0.12 -0.05 0.08 0.00 0.00 0.00 0.00 36.38 36.53 3i6f s VAL 43 CO 0.81 0.02 0.68 0.21 0.00 0.00 0.00 175.10 176.82 3i6f s ASN 44 N 0.31 -0.88 -0.15 3.32 2.47 0.09 -5.01 114.94 115.10 3i6f s ASN 44 Ca -0.02 1.47 -0.05 0.00 0.42 0.00 0.00 52.86 54.68 3i6f s ASN 44 Cb -0.04 1.38 -0.03 0.00 -1.45 0.00 0.00 41.25 41.11 3i6f s ASN 44 CO -0.01 -0.24 0.01 -0.89 -3.72 0.00 0.00 177.10 172.25 3i6f s THR 45 N 1.29 4.36 -0.10 -5.21 2.01 -1.26 -0.65 115.64 116.08 3i6f s THR 45 Ca -0.07 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 3i6f s THR 45 Cb -0.05 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 3i6f s THR 45 CO -0.14 0.50 0.00 -0.36 -0.69 0.00 0.00 174.62 173.94 3i6f s PHE 46 N 0.10 3.16 -0.21 4.92 0.08 0.04 -4.36 117.98 121.71 3i6f s PHE 46 Ca 0.02 0.15 -0.06 0.00 0.12 0.00 0.00 56.93 57.16 3i6f s PHE 46 Cb -0.13 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 3i6f s PHE 46 CO 0.02 0.41 0.02 0.08 -0.10 0.00 0.00 175.22 175.65 3i6f s VAL 47 N -0.70 4.14 -1.13 -0.44 1.01 0.83 -0.69 120.40 123.42 3i6f s VAL 47 Ca 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 3i6f s VAL 47 Cb -0.12 -2.88 0.26 0.00 0.00 0.00 0.00 36.38 33.64 3i6f s VAL 47 CO 0.02 0.41 1.89 1.41 0.00 0.00 0.00 175.10 178.84 3i6f n HIS 48 N 4.28 2.63 -4.19 5.22 -0.00 0.76 -1.09 115.22 122.82 3i6f n HIS 48 Ca -0.17 -2.64 -0.12 0.00 -0.00 0.00 0.00 57.72 54.79 3i6f n HIS 48 Cb 0.52 -1.43 -0.10 0.00 -0.00 0.00 0.00 29.99 28.98 3i6f n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3i6f s GLU 49 N -2.82 1.23 0.68 -0.41 0.41 -1.26 -4.47 118.70 112.07 3i6f s GLU 49 Ca 0.41 -1.62 -0.16 0.00 -0.41 0.00 0.00 54.97 53.19 3i6f s GLU 49 Cb 0.15 0.28 0.01 0.00 -1.78 0.00 0.00 34.13 32.79 3i6f s GLU 49 CO -0.06 -0.41 1.17 -1.54 -0.49 0.00 0.00 175.26 173.93 3i6f s SER 50 N -3.16 4.72 0.25 -0.19 1.04 -1.26 -4.14 113.70 110.96 3i6f s SER 50 Ca 0.38 2.23 -0.04 0.00 0.48 0.00 0.00 55.95 59.01 3i6f s SER 50 Cb 0.06 -2.58 0.39 0.00 0.10 0.00 0.00 66.02 64.00 3i6f s SER 50 CO 0.12 -1.90 1.85 0.25 0.98 0.00 0.00 173.24 174.54 3i6f h LEU 51 N 0.05 0.89 -0.63 2.42 5.85 -1.96 -1.90 115.31 120.03 3i6f h LEU 51 Ca -0.48 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.30 3i6f h LEU 51 Cb 1.28 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 3i6f h LEU 51 CO 0.52 0.55 0.38 0.00 -0.34 0.00 0.00 178.44 179.55 3i6f h ALA 52 N 1.44 0.83 -0.50 1.25 0.00 -1.99 0.50 119.26 120.80 3i6f h ALA 52 Ca 0.41 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 3i6f h ALA 52 Cb 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3i6f h ALA 52 CO -0.19 0.10 0.07 -0.44 0.00 0.00 0.00 179.25 178.79 3i6f h ASP 53 N 0.73 0.74 -0.11 0.00 5.19 -1.73 -0.72 116.42 120.51 3i6f h ASP 53 Ca 0.26 -0.15 -0.20 0.00 -0.62 0.00 0.00 57.03 56.32 3i6f h ASP 53 Cb 0.07 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.39 3i6f h ASP 53 CO -0.12 0.76 -0.72 0.58 -3.12 0.00 0.00 179.24 176.62 3i6f h VAL 54 N 0.75 1.31 -0.46 -1.35 2.07 -0.95 -3.06 116.25 114.55 3i6f h VAL 54 Ca 0.16 -1.96 -0.00 0.00 0.82 0.00 0.00 66.70 65.71 3i6f h VAL 54 Cb 0.35 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 3i6f h VAL 54 CO 0.01 0.61 0.27 1.56 0.02 0.00 0.00 177.57 180.04 3i6f h GLN 55 N 0.37 0.62 0.00 1.57 4.20 -0.70 -2.12 115.11 119.05 3i6f h GLN 55 Ca -0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3i6f h GLN 55 Cb 1.36 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 3i6f h GLN 55 CO 0.15 0.45 -0.04 0.00 -0.67 0.00 0.00 178.83 178.71 3i6f h ALA 56 N 1.66 1.35 -0.10 3.87 0.00 -1.03 -2.29 119.26 122.72 3i6f h ALA 56 Ca 0.17 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3i6f h ALA 56 Cb -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i6f h ALA 56 CO -0.03 0.05 0.08 0.28 0.00 0.00 0.00 179.25 179.64 3i6f h VAL 57 N 0.00 0.82 0.00 0.00 2.07 -1.39 -1.77 116.25 115.98 3i6f h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3i6f h VAL 57 Cb 0.14 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3i6f h VAL 57 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3i6f n SER 59 N -1.45 2.33 0.00 0.00 3.41 -0.66 -5.01 113.62 112.24 3i6f n SER 59 Ca 0.02 -2.98 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 3i6f n SER 59 Cb 0.06 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 3i6f n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i6f n GLN 60 N -1.34 1.44 -2.63 4.33 6.02 -0.01 -4.99 117.38 120.20 3i6f n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 3i6f n GLN 60 Cb 0.60 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.84 3i6f n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3i6f s LYS 61 N 3.74 4.06 -0.15 -1.09 2.47 -1.07 -4.87 119.74 122.83 3i6f s LYS 61 Ca 0.00 1.07 -0.29 0.00 -1.56 0.00 0.00 55.97 55.19 3i6f s LYS 61 Cb 0.00 -3.74 -0.02 0.00 -1.46 0.00 0.00 37.83 32.61 3i6f s LYS 61 CO 0.00 -0.91 1.36 1.21 0.16 0.00 0.00 175.35 177.16 3i6f s ASN 62 N 1.69 6.87 0.13 1.43 3.04 -1.26 -0.26 114.94 126.57 3i6f s ASN 62 Ca 0.46 1.80 0.03 0.00 0.04 0.00 0.00 52.86 55.19 3i6f s ASN 62 Cb -0.12 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 37.01 3i6f s ASN 62 CO 0.16 -0.81 -0.09 0.68 -3.04 0.00 0.00 177.10 174.00 3i6f s VAL 63 N 3.67 0.98 0.46 -5.21 -7.23 -0.23 -4.94 120.40 107.89 3i6f s VAL 63 Ca 0.59 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.51 3i6f s VAL 63 Cb -0.24 -1.79 -0.07 0.00 0.56 0.00 0.00 36.38 34.84 3i6f s VAL 63 CO 0.18 -0.79 1.29 0.00 -0.31 0.00 0.00 175.10 175.47 3i6f s ALA 64 N -3.45 3.07 0.55 1.32 0.00 -1.26 -3.41 121.76 118.59 3i6f s ALA 64 Ca 0.15 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.19 3i6f s ALA 64 Cb 0.04 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 3i6f s ALA 64 CO -0.02 -0.95 0.96 0.00 0.00 0.00 0.00 175.76 175.75 3i6f h LYS 66 N 0.27 0.41 -0.02 0.00 1.57 -1.92 -1.15 116.57 115.73 3i6f h LYS 66 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3i6f h LYS 66 Cb 1.19 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3i6f h LYS 66 CO 0.62 0.27 0.00 0.27 -0.57 0.00 0.00 179.45 180.04 3i6f n ASN 67 N -4.47 0.48 0.00 0.86 6.94 -1.26 -4.90 115.26 112.91 3i6f n ASN 67 Ca 0.12 -1.28 0.00 0.00 -0.02 0.00 0.00 54.58 53.40 3i6f n ASN 67 Cb 0.43 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 3i6f n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i6f n GLY 68 N 1.00 0.43 3.76 4.83 0.00 -0.43 -5.07 105.19 109.70 3i6f n GLY 68 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3i6f n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i6f s GLN 69 N -0.88 2.11 -0.12 1.61 -0.21 -1.26 -4.77 119.66 116.13 3i6f s GLN 69 Ca 0.00 1.23 0.15 0.00 0.02 0.00 0.00 55.36 56.76 3i6f s GLN 69 Cb 0.00 -1.88 0.40 0.00 1.00 0.00 0.00 33.01 32.53 3i6f s GLN 69 CO 0.00 -1.76 1.30 0.25 -2.12 0.00 0.00 175.29 172.96 3i6f n THR 70 N -3.58 1.89 -1.20 -0.19 -2.24 -1.26 -1.32 114.28 106.38 3i6f n THR 70 Ca 0.09 -1.76 -0.15 0.00 -2.27 0.00 0.00 64.05 59.96 3i6f n THR 70 Cb 0.53 -0.07 0.22 0.00 -2.10 0.00 0.00 70.33 68.91 3i6f n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i6f n ASN 71 N -0.56 3.95 -4.92 3.42 6.94 -1.26 -4.79 115.26 118.03 3i6f n ASN 71 Ca 0.17 -3.50 -0.30 0.00 -0.02 0.00 0.00 54.58 50.93 3i6f n ASN 71 Cb 0.71 -0.78 -0.04 0.00 -2.36 0.00 0.00 39.78 37.31 3i6f n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i6f s TYR 73 N -1.63 0.39 -0.19 0.00 1.51 0.37 -1.07 117.35 116.72 3i6f s TYR 73 Ca 0.36 -0.06 -0.06 0.00 -1.01 0.00 0.00 57.07 56.30 3i6f s TYR 73 Cb -0.12 -0.32 -0.03 0.00 -0.11 0.00 0.00 41.96 41.38 3i6f s TYR 73 CO 0.28 -0.05 0.02 -1.14 -1.11 0.00 0.00 175.55 173.55 3i6f s GLN 74 N 0.28 3.78 0.32 -0.62 0.74 0.64 -1.36 119.66 123.44 3i6f s GLN 74 Ca -0.03 -0.45 -0.29 0.00 0.05 0.00 0.00 55.36 54.65 3i6f s GLN 74 Cb -0.06 -3.12 -0.11 0.00 1.10 0.00 0.00 33.01 30.82 3i6f s GLN 74 CO -0.00 0.15 1.54 -1.54 -0.55 0.00 0.00 175.29 174.89 3i6f s SER 75 N 0.66 6.38 0.32 6.67 1.04 -0.06 -2.60 113.70 126.11 3i6f s SER 75 Ca 0.01 2.98 0.03 0.00 0.48 0.00 0.00 55.95 59.45 3i6f s SER 75 Cb -0.14 -2.65 0.55 0.00 0.10 0.00 0.00 66.02 63.88 3i6f s SER 75 CO 0.02 -0.89 1.84 1.88 0.98 0.00 0.00 173.24 177.07 3i6f h TYR 76 N 4.11 0.57 -2.17 5.02 0.05 -1.95 -3.43 116.97 119.17 3i6f h TYR 76 Ca -0.49 -0.07 -0.51 0.00 0.05 0.00 0.00 58.73 57.72 3i6f h TYR 76 Cb 1.23 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 38.75 3i6f h TYR 76 CO 0.56 0.58 -0.54 -1.12 -1.05 0.00 0.00 178.16 176.60 3i6f s SER 77 N -6.74 5.35 0.58 3.88 0.01 -1.26 -5.06 113.70 110.46 3i6f s SER 77 Ca -0.08 -0.34 -0.16 0.00 1.31 0.00 0.00 55.95 56.69 3i6f s SER 77 Cb 0.15 -1.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.06 3i6f s SER 77 CO 0.77 -0.06 1.05 0.42 0.41 0.00 0.00 173.24 175.83 3i6f s THR 78 N -2.18 3.91 0.08 1.44 -4.23 -1.26 -4.42 115.64 108.97 3i6f s THR 78 Ca 0.33 0.91 0.04 0.00 -1.18 0.00 0.00 61.69 61.79 3i6f s THR 78 Cb -0.07 -3.43 -0.03 0.00 1.34 0.00 0.00 72.50 70.30 3i6f s THR 78 CO 0.24 -0.53 -0.11 -0.04 -0.54 0.00 0.00 174.62 173.64 3i6f s MET 79 N -4.08 0.78 -0.01 3.99 -1.94 0.56 -4.84 119.30 113.77 3i6f s MET 79 Ca 0.63 -1.01 -0.30 0.00 -1.71 0.00 0.00 55.69 53.29 3i6f s MET 79 Cb -0.15 -0.60 -0.05 0.00 2.01 0.00 0.00 34.83 36.05 3i6f s MET 79 CO 0.36 0.11 1.28 0.45 -0.01 0.00 0.00 175.02 177.21 3i6f s SER 80 N -2.04 6.97 0.09 3.03 0.15 -1.26 -1.21 113.70 119.43 3i6f s SER 80 Ca -0.00 1.98 0.01 0.00 0.70 0.00 0.00 55.95 58.64 3i6f s SER 80 Cb -0.07 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3i6f s SER 80 CO 0.01 -0.62 -0.06 0.27 1.20 0.00 0.00 173.24 174.04 3i6f s ILE 81 N 2.04 0.62 -0.10 6.45 -4.36 0.28 -0.17 121.20 125.94 3i6f s ILE 81 Ca 0.60 -1.81 0.01 0.00 -0.26 0.00 0.00 60.65 59.19 3i6f s ILE 81 Cb -0.28 -1.52 0.02 0.00 1.25 0.00 0.00 42.46 41.93 3i6f s ILE 81 CO 0.25 -0.82 -0.10 -0.89 0.24 0.00 0.00 174.94 173.62 3i6f s THR 82 N -3.35 1.13 -0.03 8.37 2.01 0.14 -1.09 115.64 122.80 3i6f s THR 82 Ca 0.08 -0.39 -0.20 0.00 0.31 0.00 0.00 61.69 61.49 3i6f s THR 82 Cb 0.04 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.40 3i6f s THR 82 CO -0.05 0.38 0.56 -0.62 -0.69 0.00 0.00 174.62 174.20 3i6f s ASP 83 N 1.34 6.89 -0.18 3.53 2.15 0.21 -0.78 116.67 129.84 3i6f s ASP 83 Ca -0.01 1.07 -0.00 0.00 0.43 0.00 0.00 52.55 54.03 3i6f s ASP 83 Cb -0.14 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 3i6f s ASP 83 CO -0.05 0.08 -0.15 0.00 -0.17 0.00 0.00 175.17 174.89 3i6f s ARG 85 N 1.09 0.32 0.41 0.00 0.52 -0.96 -0.73 118.95 119.60 3i6f s ARG 85 Ca 0.00 -0.09 -0.27 0.00 -0.52 0.00 0.00 55.73 54.85 3i6f s ARG 85 Cb -0.14 -0.35 -0.10 0.00 0.52 0.00 0.00 34.95 34.88 3i6f s ARG 85 CO -0.05 0.03 1.40 0.39 0.02 0.00 0.00 175.30 177.10 3i6f n GLU 86 N 3.24 2.31 -2.64 3.54 1.02 -0.52 -0.39 120.64 127.20 3i6f n GLU 86 Ca -0.16 0.82 -0.22 0.00 -0.02 0.00 0.00 57.16 57.57 3i6f n GLU 86 Cb 0.57 -2.55 0.08 0.00 -0.02 0.00 0.00 31.44 29.51 3i6f n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i6f s THR 87 N -1.16 2.31 0.35 2.62 -4.23 -0.57 -4.77 115.64 110.20 3i6f s THR 87 Ca 0.58 -0.65 0.04 0.00 -1.18 0.00 0.00 61.69 60.48 3i6f s THR 87 Cb -0.48 -2.67 0.19 0.00 1.34 0.00 0.00 72.50 70.88 3i6f s THR 87 CO 0.60 0.00 1.93 1.23 -0.54 0.00 0.00 174.62 177.84 3i6f h GLY 88 N -0.27 0.63 1.93 3.99 0.00 -1.95 -2.27 103.07 105.13 3i6f h GLY 88 Ca -0.38 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.63 3i6f h GLY 88 CO 0.44 0.31 0.00 1.44 0.00 0.00 0.00 176.54 178.73 3i6f n SER 89 N -4.34 0.00 -4.69 0.19 7.64 -1.26 -4.80 113.62 106.37 3i6f n SER 89 Ca 0.03 0.43 -0.42 0.00 1.01 0.00 0.00 58.87 59.91 3i6f n SER 89 Cb 0.18 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 3i6f n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3i6f s SER 90 N -2.93 6.96 -0.23 6.43 0.15 -0.86 -4.84 113.70 118.38 3i6f s SER 90 Ca 0.08 1.94 -0.04 0.00 0.70 0.00 0.00 55.95 58.63 3i6f s SER 90 Cb 0.10 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.97 3i6f s SER 90 CO 0.27 -0.65 0.40 -0.75 1.20 0.00 0.00 173.24 173.71 3i6f s LYS 91 N 2.34 0.35 0.26 5.44 2.20 -1.07 -4.90 119.74 124.36 3i6f s LYS 91 Ca 0.59 0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 56.61 3i6f s LYS 91 Cb -0.27 -0.19 -0.14 0.00 -1.51 0.00 0.00 37.83 35.71 3i6f s LYS 91 CO 0.24 -0.53 1.12 0.98 -0.36 0.00 0.00 175.35 176.80 3i6f n TYR 92 N 5.38 1.48 0.63 4.03 9.36 -1.26 0.22 117.16 136.99 3i6f n TYR 92 Ca -0.05 0.65 0.04 0.00 3.32 0.00 0.00 57.90 61.87 3i6f n TYR 92 Cb 0.50 -2.30 0.16 0.00 -0.63 0.00 0.00 39.34 37.07 3i6f n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3i6f n PRO 93 N 1.12 2.16 -3.03 2.98 -0.04 -1.26 -4.95 135.00 131.98 3i6f n PRO 93 Ca 0.11 -1.27 -0.40 0.00 -0.04 0.00 0.00 63.50 61.89 3i6f n PRO 93 Cb 0.31 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.27 3i6f n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i6f n ASN 94 N 0.39 6.11 -4.75 3.54 5.03 0.13 -5.04 115.26 120.67 3i6f n ASN 94 Ca 0.12 -3.45 -0.37 0.00 0.87 0.00 0.00 54.58 51.74 3i6f n ASN 94 Cb 0.44 -1.16 0.04 0.00 -1.02 0.00 0.00 39.78 38.07 3i6f n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i6f s ALA 96 N -1.44 -0.43 0.01 0.00 0.00 -1.26 -4.89 121.76 113.76 3i6f s ALA 96 Ca 0.74 0.84 0.05 0.00 0.00 0.00 0.00 51.96 53.60 3i6f s ALA 96 Cb -0.35 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 3i6f s ALA 96 CO 0.40 -0.17 -0.16 0.71 0.00 0.00 0.00 175.76 176.53 3i6f s TYR 97 N 1.16 1.45 0.07 0.00 2.02 -1.26 -1.51 117.35 119.28 3i6f s TYR 97 Ca -0.09 -0.31 -0.24 0.00 -0.37 0.00 0.00 57.07 56.06 3i6f s TYR 97 Cb -0.10 -0.90 -0.06 0.00 -0.40 0.00 0.00 41.96 40.50 3i6f s TYR 97 CO -0.07 0.02 0.73 0.21 -1.57 0.00 0.00 175.55 174.87 3i6f s LYS 98 N -0.75 4.47 -0.26 -0.62 2.20 0.47 -4.60 119.74 120.65 3i6f s LYS 98 Ca 0.05 1.03 -0.07 0.00 -0.36 0.00 0.00 55.97 56.62 3i6f s LYS 98 Cb -0.07 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 3i6f s LYS 98 CO 0.00 0.39 0.07 0.99 -0.36 0.00 0.00 175.35 176.45 3i6f s THR 99 N -0.43 4.22 -0.23 3.43 2.01 -1.26 -2.26 115.64 121.12 3i6f s THR 99 Ca 0.36 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.06 3i6f s THR 99 Cb -0.21 -3.03 0.06 0.00 0.01 0.00 0.00 72.50 69.33 3i6f s THR 99 CO 0.23 0.27 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.46 3i6f s THR 100 N 1.59 1.69 0.12 -0.82 2.01 -0.42 -4.94 115.64 114.88 3i6f s THR 100 Ca 0.05 -1.26 -0.22 0.00 0.31 0.00 0.00 61.69 60.57 3i6f s THR 100 Cb -0.16 -1.88 -0.07 0.00 0.01 0.00 0.00 72.50 70.40 3i6f s THR 100 CO 0.03 -0.02 0.66 -1.58 -0.69 0.00 0.00 174.62 173.02 3i6f s GLN 101 N 1.33 4.35 0.21 4.92 2.00 -1.26 -0.62 119.66 130.59 3i6f s GLN 101 Ca -0.05 0.91 -0.16 0.00 -2.00 0.00 0.00 55.36 54.05 3i6f s GLN 101 Cb -0.19 -3.21 0.02 0.00 0.80 0.00 0.00 33.01 30.43 3i6f s GLN 101 CO -0.06 0.59 0.52 0.00 -0.50 0.00 0.00 175.29 175.83 3i6f s ALA 102 N -1.17 -0.78 -0.25 1.58 0.00 -0.25 -4.99 121.76 115.90 3i6f s ALA 102 Ca 0.33 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.93 3i6f s ALA 102 Cb -0.21 0.89 0.06 0.00 0.00 0.00 0.00 23.12 23.86 3i6f s ALA 102 CO 0.22 -0.82 -0.11 -0.80 0.00 0.00 0.00 175.76 174.25 3i6f s ASN 103 N -2.91 4.33 0.10 0.00 -0.87 -1.26 -0.56 114.94 113.78 3i6f s ASN 103 Ca 0.12 -1.35 -0.10 0.00 -1.57 0.00 0.00 52.86 49.97 3i6f s ASN 103 Cb -0.01 -1.51 0.00 0.00 -0.02 0.00 0.00 41.25 39.71 3i6f s ASN 103 CO 0.00 -0.19 0.23 -0.54 -2.57 0.00 0.00 177.10 174.04 3i6f s LYS 104 N 1.14 0.90 0.40 -0.60 -0.14 -0.35 -4.78 119.74 116.32 3i6f s LYS 104 Ca -0.08 -0.93 -0.25 0.00 -1.36 0.00 0.00 55.97 53.34 3i6f s LYS 104 Cb -0.20 0.37 -0.08 0.00 -1.68 0.00 0.00 37.83 36.24 3i6f s LYS 104 CO -0.05 -0.30 1.16 -1.01 -0.76 0.00 0.00 175.35 174.39 3i6f s HIS 105 N -3.86 3.07 0.10 3.18 3.76 0.44 -0.32 115.29 121.66 3i6f s HIS 105 Ca 0.05 1.56 0.04 0.00 -0.15 0.00 0.00 55.06 56.56 3i6f s HIS 105 Cb 0.04 -3.38 -0.04 0.00 1.11 0.00 0.00 32.58 30.31 3i6f s HIS 105 CO -0.10 -1.30 0.09 0.96 -0.85 0.00 0.00 174.74 173.53 3i6f s ILE 106 N -1.43 4.50 -0.15 0.60 -4.36 -1.26 -0.32 121.20 118.78 3i6f s ILE 106 Ca 0.57 -0.87 0.00 0.00 -0.26 0.00 0.00 60.65 60.10 3i6f s ILE 106 Cb -0.30 -3.20 0.02 0.00 1.25 0.00 0.00 42.46 40.23 3i6f s ILE 106 CO 0.38 0.06 -0.14 -0.63 0.24 0.00 0.00 174.94 174.85 3i6f s ILE 107 N -1.49 1.55 0.11 8.37 1.01 0.22 -0.88 121.20 130.09 3i6f s ILE 107 Ca 0.30 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.40 3i6f s ILE 107 Cb -0.12 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 3i6f s ILE 107 CO 0.22 0.44 -0.21 0.68 0.00 0.00 0.00 174.94 176.07 3i6f s VAL 108 N 1.49 1.77 -0.00 2.92 -7.23 -0.47 -0.29 120.40 118.59 3i6f s VAL 108 Ca 0.05 -1.57 -0.17 0.00 -1.81 0.00 0.00 61.98 58.48 3i6f s VAL 108 Cb -0.13 -1.61 -0.06 0.00 0.56 0.00 0.00 36.38 35.15 3i6f s VAL 108 CO -0.11 -0.05 0.48 0.00 -0.31 0.00 0.00 175.10 175.11 3i6f s ALA 109 N -1.16 3.61 0.08 1.32 0.00 -0.35 -0.48 121.76 124.77 3i6f s ALA 109 Ca 0.07 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.00 3i6f s ALA 109 Cb -0.10 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 3i6f s ALA 109 CO 0.04 0.34 -0.26 0.00 0.00 0.00 0.00 175.76 175.89 3i6f s GLU 111 N -1.56 1.01 0.00 0.00 2.02 -0.49 -4.89 118.70 114.80 3i6f s GLU 111 Ca 0.12 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 54.97 3i6f s GLU 111 Cb -0.10 0.46 0.00 0.00 0.10 0.00 0.00 34.13 34.59 3i6f s GLU 111 CO 0.04 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.37 3i6f n GLY 112 N 0.56 0.50 2.83 -1.39 0.00 -1.26 -2.30 105.19 104.13 3i6f n GLY 112 Ca -0.19 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.42 3i6f n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i6f s ASN 113 N 0.00 3.65 0.71 1.61 3.04 -1.26 -2.32 114.94 120.37 3i6f s ASN 113 Ca 0.00 -1.22 -0.14 0.00 0.04 0.00 0.00 52.86 51.54 3i6f s ASN 113 Cb 0.00 -0.95 0.03 0.00 -1.54 0.00 0.00 41.25 38.79 3i6f s ASN 113 CO 0.00 -0.31 1.12 -2.16 -3.04 0.00 0.00 177.10 172.72 3i6f s PRO 114 N 1.56 2.46 -0.67 0.43 0.04 -1.26 -5.09 135.00 132.48 3i6f s PRO 114 Ca 0.00 1.41 -0.24 0.00 0.04 0.00 0.00 61.00 62.21 3i6f s PRO 114 Cb -0.18 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.51 3i6f s PRO 114 CO -0.11 -1.52 1.05 -0.47 0.04 0.00 0.00 177.00 175.99 3i6f s TYR 115 N -2.43 2.58 0.22 0.56 5.04 -0.98 -4.87 117.35 117.48 3i6f s TYR 115 Ca 0.67 -0.34 0.04 0.00 -2.44 0.00 0.00 57.07 55.00 3i6f s TYR 115 Cb -0.21 -4.36 -0.05 0.00 0.35 0.00 0.00 41.96 37.68 3i6f s TYR 115 CO 0.46 -1.73 -0.03 0.14 -1.34 0.00 0.00 175.55 173.05 3i6f s VAL 116 N 4.52 1.15 0.25 3.14 -7.23 -0.97 -4.83 120.40 116.42 3i6f s VAL 116 Ca 0.27 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.08 3i6f s VAL 116 Cb -0.14 -2.28 -0.10 0.00 0.56 0.00 0.00 36.38 34.42 3i6f s VAL 116 CO 0.13 -0.39 1.43 -2.84 -0.31 0.00 0.00 175.10 173.11 3i6f s PRO 117 N -3.82 4.28 0.00 4.82 0.02 -1.26 -1.40 135.00 137.64 3i6f s PRO 117 Ca 0.27 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3i6f s PRO 117 Cb 0.05 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.45 3i6f s PRO 117 CO 0.08 -0.40 0.00 1.33 -0.33 0.00 0.00 177.00 177.68 3i6f n VAL 118 N 2.31 0.00 -3.81 3.83 0.24 0.81 -4.50 118.33 117.22 3i6f n VAL 118 Ca 0.06 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 62.00 3i6f n VAL 118 Cb 0.40 0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 33.48 3i6f n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3i6f s HIS 119 N -0.91 -0.12 -0.34 6.34 3.76 -1.11 -4.68 115.29 118.23 3i6f s HIS 119 Ca 0.00 0.21 -0.15 0.00 -0.15 0.00 0.00 55.06 54.98 3i6f s HIS 119 Cb 0.00 0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.72 3i6f s HIS 119 CO 0.00 -0.29 0.33 0.12 -0.85 0.00 0.00 174.74 174.05 3i6f s PHE 120 N -1.00 3.22 -0.16 1.40 2.19 -1.26 -1.21 117.98 121.15 3i6f s PHE 120 Ca -0.11 -0.04 -0.17 0.00 0.33 0.00 0.00 56.93 56.94 3i6f s PHE 120 Cb -0.05 -2.62 -0.23 0.00 -1.31 0.00 0.00 43.02 38.81 3i6f s PHE 120 CO 0.02 -0.40 0.35 0.22 1.83 0.00 0.00 175.22 177.24 3i6f h ASP 121 N 8.45 0.17 -5.79 6.13 3.58 -1.00 -3.48 116.42 124.48 3i6f h ASP 121 Ca -0.30 -0.71 0.33 0.00 0.42 0.00 0.00 57.03 56.77 3i6f h ASP 121 Cb 1.15 -0.06 -0.11 0.00 1.72 0.00 0.00 39.33 42.03 3i6f h ASP 121 CO 0.68 1.58 0.85 0.00 -2.88 0.00 0.00 179.24 179.46 3i6f s ALA 122 N -2.42 -2.29 0.16 -0.78 0.00 -1.14 -4.95 121.76 110.34 3i6f s ALA 122 Ca -0.25 0.56 0.09 0.00 0.00 0.00 0.00 51.96 52.36 3i6f s ALA 122 Cb 0.05 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 3i6f s ALA 122 CO 0.67 -1.07 -0.19 -1.54 0.00 0.00 0.00 175.76 173.63 3i6f s SER 123 N -3.15 2.75 0.00 0.00 1.04 -1.26 -0.61 113.70 112.47 3i6f s SER 123 Ca 0.17 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.75 3i6f s SER 123 Cb 0.04 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3i6f s SER 123 CO -0.03 -0.01 0.20 1.33 0.98 0.00 0.00 173.24 175.70