#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i67 s GLU 2 N 0.00 4.43 0.79 1.97 2.12 -1.26 -5.01 118.70 121.75 3i67 s GLU 2 Ca 0.00 2.03 -0.11 0.00 0.36 0.00 0.00 54.97 57.25 3i67 s GLU 2 Cb 0.00 -3.17 0.07 0.00 0.26 0.00 0.00 34.13 31.29 3i67 s GLU 2 CO 0.00 -0.14 1.09 0.95 -0.54 0.00 0.00 175.26 176.62 3i67 s THR 3 N -0.43 3.20 0.22 -1.70 -4.23 -1.26 -4.85 115.64 106.60 3i67 s THR 3 Ca 0.52 0.39 -0.08 0.00 -1.18 0.00 0.00 61.69 61.35 3i67 s THR 3 Cb -0.36 -2.87 0.17 0.00 1.34 0.00 0.00 72.50 70.78 3i67 s THR 3 CO 0.42 -0.51 1.81 0.00 -0.54 0.00 0.00 174.62 175.80 3i67 h ALA 4 N -1.21 1.06 -0.61 3.99 0.00 -1.95 -0.71 119.26 119.84 3i67 h ALA 4 Ca -0.44 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 3i67 h ALA 4 Cb 1.24 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3i67 h ALA 4 CO 0.52 0.63 0.08 0.00 0.00 0.00 0.00 179.25 180.48 3i67 h ALA 5 N 1.21 0.81 -0.34 0.00 0.00 -1.90 -1.64 119.26 117.39 3i67 h ALA 5 Ca 0.28 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3i67 h ALA 5 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i67 h ALA 5 CO -0.03 0.58 -0.27 0.00 0.00 0.00 0.00 179.25 179.52 3i67 h ALA 6 N 1.01 0.89 -0.65 0.00 0.00 -1.83 -2.12 119.26 116.57 3i67 h ALA 6 Ca 0.18 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3i67 h ALA 6 Cb 0.45 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3i67 h ALA 6 CO 0.01 0.62 0.16 -0.22 0.00 0.00 0.00 179.25 179.83 3i67 h LYS 7 N 0.60 1.04 -0.59 0.00 3.64 -0.94 -1.48 116.57 118.84 3i67 h LYS 7 Ca 0.08 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3i67 h LYS 7 Cb 0.77 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 3i67 h LYS 7 CO 0.06 0.93 0.37 0.35 -2.27 0.00 0.00 179.45 178.90 3i67 h PHE 8 N 0.96 0.70 -0.23 1.91 3.04 -1.09 -0.69 116.94 121.54 3i67 h PHE 8 Ca 0.20 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.17 3i67 h PHE 8 Cb 0.36 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 3i67 h PHE 8 CO 0.03 0.42 0.15 0.93 -2.02 0.00 0.00 178.31 177.81 3i67 h GLU 9 N 0.74 0.32 -0.66 1.11 5.08 -1.10 0.61 114.58 120.68 3i67 h GLU 9 Ca 0.23 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3i67 h GLU 9 Cb -0.02 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3i67 h GLU 9 CO -0.08 0.24 0.23 -0.09 -1.00 0.00 0.00 179.01 178.32 3i67 h ARG 10 N 0.30 1.01 0.00 2.33 2.43 -1.07 -1.85 114.38 117.54 3i67 h ARG 10 Ca 0.08 -0.20 -0.19 0.00 -0.81 0.00 0.00 59.98 58.86 3i67 h ARG 10 Cb 0.00 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 3i67 h ARG 10 CO -0.02 0.87 -0.95 1.96 -1.51 0.00 0.00 179.97 180.32 3i67 h GLN 11 N 0.95 0.00 0.00 0.20 4.20 -0.97 -3.41 115.11 116.08 3i67 h GLN 11 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3i67 h GLN 11 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3i67 h GLN 11 CO -0.01 0.84 0.00 0.72 -0.67 0.00 0.00 178.83 179.71 3i67 n HIS 12 N -3.29 0.00 -3.91 2.96 8.25 0.19 -4.65 115.22 114.77 3i67 n HIS 12 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 3i67 n HIS 12 Cb 0.90 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.91 3i67 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3i67 s MET 13 N -0.43 3.92 -0.40 -0.41 -1.94 -0.70 -0.13 119.30 119.22 3i67 s MET 13 Ca 0.00 -0.36 0.03 0.00 -1.71 0.00 0.00 55.69 53.65 3i67 s MET 13 Cb 0.00 -3.28 0.16 0.00 2.01 0.00 0.00 34.83 33.72 3i67 s MET 13 CO 0.00 0.15 0.32 0.34 -0.01 0.00 0.00 175.02 175.82 3i67 s ASP 14 N 0.73 1.67 0.00 3.03 2.15 -0.43 -4.85 116.67 118.97 3i67 s ASP 14 Ca 0.04 -2.81 0.30 0.00 0.43 0.00 0.00 52.55 50.52 3i67 s ASP 14 Cb -0.13 -0.34 1.50 0.00 -0.30 0.00 0.00 42.92 43.65 3i67 s ASP 14 CO 0.02 -0.20 2.04 -1.20 -0.17 0.00 0.00 175.17 175.66 3i67 n SER 15 N 3.14 0.04 -0.28 -0.34 7.64 -1.26 -3.96 113.62 118.61 3i67 n SER 15 Ca 0.25 -0.20 0.14 0.00 1.01 0.00 0.00 58.87 60.07 3i67 n SER 15 Cb 0.46 -0.26 0.54 0.00 -1.01 0.00 0.00 64.21 63.94 3i67 n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i67 n SER 16 N -1.25 0.97 -4.10 6.43 3.41 -1.26 -4.79 113.62 113.03 3i67 n SER 16 Ca 0.14 -1.04 -0.13 0.00 -0.26 0.00 0.00 58.87 57.58 3i67 n SER 16 Cb 0.24 0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.10 3i67 n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3i67 s THR 17 N -2.27 0.66 -0.25 6.66 -4.23 -1.25 -5.03 115.64 109.93 3i67 s THR 17 Ca 0.32 -1.31 0.20 0.00 -1.18 0.00 0.00 61.69 59.72 3i67 s THR 17 Cb 0.20 -0.91 0.20 0.00 1.34 0.00 0.00 72.50 73.33 3i67 s THR 17 CO 0.43 -0.47 1.56 0.77 -0.54 0.00 0.00 174.62 176.36 3i67 h SER 18 N 4.11 0.00 -4.33 3.99 4.64 -1.88 -3.44 113.55 116.64 3i67 h SER 18 Ca -0.36 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.17 3i67 h SER 18 Cb 1.19 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.10 3i67 h SER 18 CO 0.46 0.25 0.72 0.00 -0.87 0.00 0.00 176.83 177.39 3i67 s ALA 19 N -3.14 -2.00 0.14 5.18 0.00 -1.26 -4.84 121.76 115.84 3i67 s ALA 19 Ca 0.05 1.44 -0.31 0.00 0.00 0.00 0.00 51.96 53.14 3i67 s ALA 19 Cb 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 23.12 23.08 3i67 s ALA 19 CO 0.70 -0.61 1.79 0.00 0.00 0.00 0.00 175.76 177.64 3i67 s ALA 20 N -2.57 3.80 -2.07 0.00 0.00 -1.26 -4.90 121.76 114.76 3i67 s ALA 20 Ca 0.08 1.47 0.20 0.00 0.00 0.00 0.00 51.96 53.70 3i67 s ALA 20 Cb -0.01 -3.74 0.06 0.00 0.00 0.00 0.00 23.12 19.43 3i67 s ALA 20 CO -0.06 -1.15 1.04 -1.13 0.00 0.00 0.00 175.76 174.46 3i67 n SER 21 N 5.29 2.17 -3.64 0.00 3.41 -1.26 -4.98 113.62 114.60 3i67 n SER 21 Ca 0.17 -1.59 -0.08 0.00 -0.26 0.00 0.00 58.87 57.12 3i67 n SER 21 Cb 0.38 0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.59 3i67 n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3i67 s SER 22 N -1.98 -0.35 0.51 4.04 1.04 -1.26 -5.03 113.70 110.67 3i67 s SER 22 Ca 0.19 -0.27 0.34 0.00 0.48 0.00 0.00 55.95 56.69 3i67 s SER 22 Cb 0.16 0.57 1.70 0.00 0.10 0.00 0.00 66.02 68.55 3i67 s SER 22 CO 0.39 -0.99 2.03 0.77 0.98 0.00 0.00 173.24 176.42 3i67 h SER 23 N 2.00 0.00 0.13 7.02 4.64 -1.95 -2.42 113.55 122.97 3i67 h SER 23 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3i67 h SER 23 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3i67 h SER 23 CO 0.29 0.00 -0.19 0.59 -0.87 0.00 0.00 176.83 176.66 3i67 n ASN 24 N -2.79 1.34 -0.17 4.97 3.02 -1.26 -4.37 115.26 116.00 3i67 n ASN 24 Ca -0.01 -1.17 -0.03 0.00 -0.03 0.00 0.00 54.58 53.34 3i67 n ASN 24 Cb 0.14 0.12 0.04 0.00 -0.61 0.00 0.00 39.78 39.47 3i67 n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3i67 h TYR 25 N 1.81 -0.33 -0.26 3.10 3.20 -1.83 -2.37 116.97 120.30 3i67 h TYR 25 Ca 0.00 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3i67 h TYR 25 Cb 0.55 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3i67 h TYR 25 CO 0.00 -0.24 0.04 0.00 -1.64 0.00 0.00 178.16 176.32 3i67 h ASN 27 N 0.24 0.44 -0.17 0.00 2.35 -1.76 0.13 115.58 116.81 3i67 h ASN 27 Ca 0.08 0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.81 3i67 h ASN 27 Cb 0.34 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3i67 h ASN 27 CO 0.01 0.19 -0.35 1.56 -1.65 0.00 0.00 177.43 177.19 3i67 h GLN 28 N 0.56 0.54 -0.08 0.81 4.20 -1.07 -3.05 115.11 117.02 3i67 h GLN 28 Ca 0.43 -0.35 -0.22 0.00 0.06 0.00 0.00 58.65 58.58 3i67 h GLN 28 Cb 0.61 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3i67 h GLN 28 CO -0.37 0.96 -0.83 0.52 -0.67 0.00 0.00 178.83 178.45 3i67 h MET 29 N 0.19 0.58 -0.51 1.46 2.86 -0.53 -1.50 114.93 117.48 3i67 h MET 29 Ca 0.01 -0.51 -0.04 0.00 -2.06 0.00 0.00 59.70 57.09 3i67 h MET 29 Cb 0.95 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 3i67 h MET 29 CO 0.08 1.14 0.14 0.52 1.06 0.00 0.00 176.91 179.85 3i67 h MET 30 N 0.37 0.76 -0.04 1.72 2.86 -0.86 -0.69 114.93 119.05 3i67 h MET 30 Ca -0.06 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 3i67 h MET 30 Cb 1.44 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.98 3i67 h MET 30 CO 0.15 0.67 -0.07 -0.22 1.06 0.00 0.00 176.91 178.50 3i67 h LYS 31 N 0.74 0.12 0.00 1.72 3.64 -1.46 -0.03 116.57 121.30 3i67 h LYS 31 Ca 0.17 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 3i67 h LYS 31 Cb 0.24 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3i67 h LYS 31 CO -0.01 0.65 -0.44 0.66 -2.27 0.00 0.00 179.45 178.05 3i67 h SER 32 N -0.40 0.00 -0.24 4.20 4.64 -1.10 -1.42 113.55 119.23 3i67 h SER 32 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i67 h SER 32 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3i67 h SER 32 CO 0.02 0.44 0.00 0.54 -0.87 0.00 0.00 176.83 176.96 3i67 n ARG 33 N -3.78 1.57 -3.42 4.77 5.12 -0.28 -4.92 116.66 115.72 3i67 n ARG 33 Ca -0.01 -0.87 -0.20 0.00 -1.93 0.00 0.00 57.85 54.84 3i67 n ARG 33 Cb 0.50 -1.20 0.07 0.00 -1.16 0.00 0.00 32.46 30.68 3i67 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3i67 n ASN 34 N 0.20 -4.98 -1.12 0.55 5.03 -0.53 -4.88 115.26 109.53 3i67 n ASN 34 Ca 0.08 -0.49 0.10 0.00 0.87 0.00 0.00 54.58 55.14 3i67 n ASN 34 Cb 0.21 -4.53 0.26 0.00 -1.02 0.00 0.00 39.78 34.70 3i67 n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3i67 n LEU 35 N -4.32 3.57 -1.16 3.41 4.77 -0.03 -4.34 117.00 118.90 3i67 n LEU 35 Ca -0.05 -1.88 0.02 0.00 -0.03 0.00 0.00 56.01 54.06 3i67 n LEU 35 Cb 0.58 -0.37 0.12 0.00 -2.33 0.00 0.00 43.42 41.42 3i67 n LEU 35 CO 0.57 0.87 0.23 0.35 -1.33 0.00 0.00 177.39 178.07 3i67 n THR 36 N 1.32 1.55 0.00 -5.08 -2.24 -1.23 -1.93 114.28 106.67 3i67 n THR 36 Ca 0.20 -2.69 0.00 0.00 -2.27 0.00 0.00 64.05 59.29 3i67 n THR 36 Cb 0.56 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3i67 n THR 36 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i67 n LYS 37 N -0.57 0.00 -0.00 -0.78 4.81 -1.26 -4.26 118.16 116.09 3i67 n LYS 37 Ca 0.17 0.42 0.09 0.00 -0.87 0.00 0.00 58.31 58.12 3i67 n LYS 37 Cb 0.86 -1.41 -0.12 0.00 0.02 0.00 0.00 35.03 34.38 3i67 n LYS 37 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3i67 n ASP 38 N -1.75 0.85 -3.47 3.14 8.00 -1.26 -5.00 116.55 117.06 3i67 n ASP 38 Ca 0.00 -0.40 -0.12 0.00 0.71 0.00 0.00 54.79 54.98 3i67 n ASP 38 Cb 0.00 1.46 -0.02 0.00 -0.02 0.00 0.00 41.12 42.54 3i67 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i67 s ARG 39 N -2.99 1.26 -0.22 -1.24 1.70 -1.26 -5.06 118.95 111.15 3i67 s ARG 39 Ca -0.01 -0.52 -0.29 0.00 -0.47 0.00 0.00 55.73 54.44 3i67 s ARG 39 Cb 0.12 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 35.08 3i67 s ARG 39 CO 0.74 -0.55 1.11 0.00 -1.08 0.00 0.00 175.30 175.52 3i67 s LYS 41 N 3.32 4.14 0.21 0.00 2.20 -0.81 -4.89 119.74 123.91 3i67 s LYS 41 Ca 0.47 2.56 -0.07 0.00 -0.36 0.00 0.00 55.97 58.57 3i67 s LYS 41 Cb -0.17 -3.67 0.14 0.00 -1.51 0.00 0.00 37.83 32.63 3i67 s LYS 41 CO 0.09 -0.84 1.70 -1.35 -0.36 0.00 0.00 175.35 174.59 3i67 h PRO 42 N 8.81 1.07 -3.40 4.03 0.11 -1.94 -3.44 132.00 137.25 3i67 h PRO 42 Ca -0.46 -0.29 -0.22 0.00 0.11 0.00 0.00 66.00 65.14 3i67 h PRO 42 Cb 1.22 -0.12 -0.29 0.00 0.11 0.00 0.00 31.00 31.91 3i67 h PRO 42 CO 0.95 0.99 -0.61 0.08 -0.21 0.00 0.00 178.00 179.19 3i67 s VAL 43 N -5.17 -0.02 -0.27 3.15 1.01 -1.26 -1.46 120.40 116.38 3i67 s VAL 43 Ca -0.12 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 3i67 s VAL 43 Cb 0.14 -0.18 0.08 0.00 0.00 0.00 0.00 36.38 36.42 3i67 s VAL 43 CO 0.85 0.03 0.68 0.21 0.00 0.00 0.00 175.10 176.86 3i67 s ASN 44 N 0.52 -0.89 -0.15 3.32 2.47 -0.00 -5.00 114.94 115.21 3i67 s ASN 44 Ca -0.04 1.47 -0.05 0.00 0.42 0.00 0.00 52.86 54.66 3i67 s ASN 44 Cb -0.05 1.36 -0.03 0.00 -1.45 0.00 0.00 41.25 41.07 3i67 s ASN 44 CO -0.02 -0.24 0.02 -0.89 -3.72 0.00 0.00 177.10 172.25 3i67 s THR 45 N 1.41 4.43 -0.10 -5.21 2.01 -1.26 -0.47 115.64 116.45 3i67 s THR 45 Ca -0.08 -0.17 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 3i67 s THR 45 Cb -0.05 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 3i67 s THR 45 CO -0.16 0.51 0.02 -0.36 -0.69 0.00 0.00 174.62 173.94 3i67 s PHE 46 N 0.05 3.21 -0.19 4.92 0.08 0.10 -4.37 117.98 121.77 3i67 s PHE 46 Ca 0.03 0.21 -0.05 0.00 0.12 0.00 0.00 56.93 57.24 3i67 s PHE 46 Cb -0.13 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 3i67 s PHE 46 CO 0.02 0.47 -0.01 0.08 -0.10 0.00 0.00 175.22 175.68 3i67 s VAL 47 N -0.81 3.94 -1.08 -0.44 1.01 0.82 -0.72 120.40 123.12 3i67 s VAL 47 Ca 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 3i67 s VAL 47 Cb -0.12 -2.77 0.30 0.00 0.00 0.00 0.00 36.38 33.79 3i67 s VAL 47 CO 0.02 0.44 1.78 1.41 0.00 0.00 0.00 175.10 178.76 3i67 n HIS 48 N 4.09 2.60 -4.20 5.22 -0.00 0.74 -1.32 115.22 122.36 3i67 n HIS 48 Ca -0.17 -2.59 -0.13 0.00 -0.00 0.00 0.00 57.72 54.83 3i67 n HIS 48 Cb 0.52 -1.29 -0.09 0.00 -0.00 0.00 0.00 29.99 29.12 3i67 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3i67 s GLU 49 N -3.49 1.34 0.67 -0.41 0.41 -1.26 -4.48 118.70 111.47 3i67 s GLU 49 Ca 0.38 -1.69 -0.16 0.00 -0.41 0.00 0.00 54.97 53.09 3i67 s GLU 49 Cb 0.15 0.29 0.01 0.00 -1.78 0.00 0.00 34.13 32.80 3i67 s GLU 49 CO -0.06 -0.46 1.16 -1.54 -0.49 0.00 0.00 175.26 173.88 3i67 s SER 50 N -3.20 4.80 0.27 -0.19 1.04 -1.26 -4.16 113.70 111.01 3i67 s SER 50 Ca 0.38 2.20 -0.01 0.00 0.48 0.00 0.00 55.95 59.01 3i67 s SER 50 Cb 0.06 -2.57 0.48 0.00 0.10 0.00 0.00 66.02 64.08 3i67 s SER 50 CO 0.15 -1.85 1.85 0.25 0.98 0.00 0.00 173.24 174.62 3i67 h LEU 51 N 0.09 0.95 -0.69 2.42 5.85 -1.97 -2.04 115.31 119.93 3i67 h LEU 51 Ca -0.48 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.28 3i67 h LEU 51 Cb 1.27 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 3i67 h LEU 51 CO 0.53 0.55 0.46 0.00 -0.34 0.00 0.00 178.44 179.64 3i67 h ALA 52 N 1.49 0.88 -0.43 1.25 0.00 -1.99 0.44 119.26 120.91 3i67 h ALA 52 Ca 0.46 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 3i67 h ALA 52 Cb 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3i67 h ALA 52 CO -0.23 0.29 -0.07 -0.44 0.00 0.00 0.00 179.25 178.81 3i67 h ASP 53 N 0.93 0.71 -0.13 0.00 5.19 -1.75 -0.55 116.42 120.82 3i67 h ASP 53 Ca 0.26 -0.19 -0.19 0.00 -0.62 0.00 0.00 57.03 56.29 3i67 h ASP 53 Cb -0.10 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.23 3i67 h ASP 53 CO -0.06 0.82 -0.65 0.58 -3.12 0.00 0.00 179.24 176.81 3i67 h VAL 54 N 0.67 1.32 -0.74 -1.35 2.07 -1.04 -3.07 116.25 114.11 3i67 h VAL 54 Ca 0.12 -1.90 0.06 0.00 0.82 0.00 0.00 66.70 65.80 3i67 h VAL 54 Cb 0.51 2.09 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 3i67 h VAL 54 CO 0.03 0.59 0.49 1.56 0.02 0.00 0.00 177.57 180.26 3i67 h GLN 55 N 0.34 0.76 0.00 1.57 4.20 -0.69 -1.78 115.11 119.51 3i67 h GLN 55 Ca -0.04 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3i67 h GLN 55 Cb 1.29 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.90 3i67 h GLN 55 CO 0.13 0.51 -0.03 0.00 -0.67 0.00 0.00 178.83 178.77 3i67 h ALA 56 N 1.60 1.09 -0.04 3.87 0.00 -1.00 -2.13 119.26 122.65 3i67 h ALA 56 Ca 0.32 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3i67 h ALA 56 Cb 0.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i67 h ALA 56 CO -0.11 0.03 0.04 0.28 0.00 0.00 0.00 179.25 179.49 3i67 h VAL 57 N 0.00 0.70 0.00 0.00 2.07 -1.32 -2.14 116.25 115.56 3i67 h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3i67 h VAL 57 Cb 0.22 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3i67 h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3i67 n SER 59 N -1.42 2.54 0.00 0.00 3.41 -0.80 -5.01 113.62 112.34 3i67 n SER 59 Ca 0.03 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 3i67 n SER 59 Cb 0.09 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 3i67 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i67 n GLN 60 N -1.22 1.92 -2.58 4.33 6.02 0.03 -4.99 117.38 120.88 3i67 n GLN 60 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.72 3i67 n GLN 60 Cb 0.64 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.88 3i67 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3i67 s LYS 61 N 3.97 4.00 -0.08 -1.09 2.47 -1.08 -4.87 119.74 123.07 3i67 s LYS 61 Ca 0.00 1.07 -0.30 0.00 -1.56 0.00 0.00 55.97 55.18 3i67 s LYS 61 Cb 0.00 -3.79 -0.03 0.00 -1.46 0.00 0.00 37.83 32.55 3i67 s LYS 61 CO 0.00 -1.00 1.33 1.21 0.16 0.00 0.00 175.35 177.05 3i67 s ASN 62 N 2.00 6.91 0.07 1.43 3.04 -1.26 -0.17 114.94 126.95 3i67 s ASN 62 Ca 0.48 1.90 0.00 0.00 0.04 0.00 0.00 52.86 55.28 3i67 s ASN 62 Cb -0.13 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 3i67 s ASN 62 CO 0.19 -0.73 -0.05 0.68 -3.04 0.00 0.00 177.10 174.15 3i67 s VAL 63 N 2.99 0.44 0.48 -5.21 -7.23 -0.23 -4.94 120.40 106.70 3i67 s VAL 63 Ca 0.60 -1.80 -0.23 0.00 -1.81 0.00 0.00 61.98 58.74 3i67 s VAL 63 Cb -0.26 -1.50 -0.07 0.00 0.56 0.00 0.00 36.38 35.11 3i67 s VAL 63 CO 0.21 -0.90 1.25 0.00 -0.31 0.00 0.00 175.10 175.35 3i67 s ALA 64 N -3.58 2.97 0.53 1.32 0.00 -1.26 -3.35 121.76 118.38 3i67 s ALA 64 Ca 0.07 1.11 -0.09 0.00 0.00 0.00 0.00 51.96 53.05 3i67 s ALA 64 Cb 0.05 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 3i67 s ALA 64 CO -0.07 -0.92 0.90 0.00 0.00 0.00 0.00 175.76 175.67 3i67 h LYS 66 N 0.19 0.16 -0.01 0.00 1.57 -1.93 -0.73 116.57 115.81 3i67 h LYS 66 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3i67 h LYS 66 Cb 1.19 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3i67 h LYS 66 CO 0.62 0.10 0.00 0.27 -0.57 0.00 0.00 179.45 179.87 3i67 n ASN 67 N -4.47 0.70 0.00 0.86 6.94 -1.26 -4.90 115.26 113.13 3i67 n ASN 67 Ca 0.05 -1.26 0.00 0.00 -0.02 0.00 0.00 54.58 53.35 3i67 n ASN 67 Cb 0.31 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 3i67 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i67 n GLY 68 N 1.07 0.34 3.74 4.83 0.00 -0.28 -5.07 105.19 109.83 3i67 n GLY 68 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3i67 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i67 s GLN 69 N -0.90 1.92 -0.08 1.61 -0.21 -1.26 -4.76 119.66 115.99 3i67 s GLN 69 Ca 0.00 1.20 0.13 0.00 0.02 0.00 0.00 55.36 56.71 3i67 s GLN 69 Cb 0.00 -1.86 0.37 0.00 1.00 0.00 0.00 33.01 32.52 3i67 s GLN 69 CO 0.00 -1.89 1.29 0.25 -2.12 0.00 0.00 175.29 172.82 3i67 n THR 70 N -3.69 1.59 -1.22 -0.19 -2.24 -1.26 -1.24 114.28 106.03 3i67 n THR 70 Ca 0.09 -1.45 -0.18 0.00 -2.27 0.00 0.00 64.05 60.24 3i67 n THR 70 Cb 0.53 0.14 0.21 0.00 -2.10 0.00 0.00 70.33 69.10 3i67 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i67 n ASN 71 N -0.14 3.79 -4.93 3.42 6.94 -1.26 -4.77 115.26 118.30 3i67 n ASN 71 Ca 0.15 -3.56 -0.29 0.00 -0.02 0.00 0.00 54.58 50.86 3i67 n ASN 71 Cb 0.62 -0.79 -0.04 0.00 -2.36 0.00 0.00 39.78 37.21 3i67 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i67 s TYR 73 N -1.61 0.34 -0.18 0.00 1.51 0.22 -1.06 117.35 116.56 3i67 s TYR 73 Ca 0.35 -0.06 -0.05 0.00 -1.01 0.00 0.00 57.07 56.30 3i67 s TYR 73 Cb -0.12 -0.26 -0.03 0.00 -0.11 0.00 0.00 41.96 41.44 3i67 s TYR 73 CO 0.28 -0.03 0.01 -1.14 -1.11 0.00 0.00 175.55 173.56 3i67 s GLN 74 N 0.13 3.76 0.36 -0.62 0.74 0.75 -1.40 119.66 123.38 3i67 s GLN 74 Ca -0.01 -0.46 -0.29 0.00 0.05 0.00 0.00 55.36 54.65 3i67 s GLN 74 Cb -0.04 -3.06 -0.11 0.00 1.10 0.00 0.00 33.01 30.90 3i67 s GLN 74 CO -0.00 0.19 1.52 -1.54 -0.55 0.00 0.00 175.29 174.91 3i67 s SER 75 N 0.54 6.34 0.31 6.67 1.04 -0.01 -2.63 113.70 125.96 3i67 s SER 75 Ca -0.00 3.04 0.04 0.00 0.48 0.00 0.00 55.95 59.51 3i67 s SER 75 Cb -0.14 -2.66 0.50 0.00 0.10 0.00 0.00 66.02 63.83 3i67 s SER 75 CO 0.02 -0.90 1.78 1.88 0.98 0.00 0.00 173.24 177.00 3i67 h TYR 76 N 3.50 0.48 -2.32 5.02 0.05 -1.95 -3.43 116.97 118.31 3i67 h TYR 76 Ca -0.50 -0.09 -0.54 0.00 0.05 0.00 0.00 58.73 57.66 3i67 h TYR 76 Cb 1.23 -0.12 -0.07 0.00 1.01 0.00 0.00 36.73 38.78 3i67 h TYR 76 CO 0.55 0.61 -0.58 -1.12 -1.05 0.00 0.00 178.16 176.57 3i67 s SER 77 N -6.81 5.18 0.65 3.88 0.01 -1.26 -5.07 113.70 110.29 3i67 s SER 77 Ca -0.07 -0.36 -0.14 0.00 1.31 0.00 0.00 55.95 56.69 3i67 s SER 77 Cb 0.14 -1.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.15 3i67 s SER 77 CO 0.78 -0.00 1.08 0.42 0.41 0.00 0.00 173.24 175.93 3i67 s THR 78 N -2.10 3.54 0.09 1.44 -4.23 -1.26 -4.44 115.64 108.67 3i67 s THR 78 Ca 0.32 0.67 0.05 0.00 -1.18 0.00 0.00 61.69 61.54 3i67 s THR 78 Cb -0.08 -3.21 -0.03 0.00 1.34 0.00 0.00 72.50 70.52 3i67 s THR 78 CO 0.23 -0.49 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.66 3i67 s MET 79 N -4.28 0.86 -0.01 3.99 -1.94 0.49 -4.84 119.30 113.57 3i67 s MET 79 Ca 0.64 -1.08 -0.30 0.00 -1.71 0.00 0.00 55.69 53.24 3i67 s MET 79 Cb -0.18 -0.70 -0.05 0.00 2.01 0.00 0.00 34.83 35.91 3i67 s MET 79 CO 0.43 0.14 1.35 0.45 -0.01 0.00 0.00 175.02 177.37 3i67 s SER 80 N -2.15 6.90 0.09 3.03 0.15 -1.26 -1.31 113.70 119.16 3i67 s SER 80 Ca 0.03 2.04 0.02 0.00 0.70 0.00 0.00 55.95 58.74 3i67 s SER 80 Cb -0.06 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 3i67 s SER 80 CO 0.02 -0.68 -0.07 0.27 1.20 0.00 0.00 173.24 173.98 3i67 s ILE 81 N 2.29 0.68 -0.11 6.45 -4.36 0.32 -0.18 121.20 126.29 3i67 s ILE 81 Ca 0.62 -1.83 0.01 0.00 -0.26 0.00 0.00 60.65 59.18 3i67 s ILE 81 Cb -0.30 -1.55 0.02 0.00 1.25 0.00 0.00 42.46 41.88 3i67 s ILE 81 CO 0.25 -0.81 -0.11 -0.89 0.24 0.00 0.00 174.94 173.63 3i67 s THR 82 N -3.34 1.22 -0.07 8.37 2.01 0.10 -1.03 115.64 122.90 3i67 s THR 82 Ca 0.09 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 61.47 3i67 s THR 82 Cb 0.03 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 3i67 s THR 82 CO -0.04 0.39 0.51 -0.62 -0.69 0.00 0.00 174.62 174.18 3i67 s ASP 83 N 1.36 6.80 -0.18 3.53 2.15 0.14 -0.72 116.67 129.76 3i67 s ASP 83 Ca -0.00 0.95 -0.01 0.00 0.43 0.00 0.00 52.55 53.92 3i67 s ASP 83 Cb -0.14 -2.31 -0.00 0.00 -0.30 0.00 0.00 42.92 40.17 3i67 s ASP 83 CO -0.06 0.07 -0.12 0.00 -0.17 0.00 0.00 175.17 174.89 3i67 s ARG 85 N 1.06 0.50 0.40 0.00 0.52 -1.00 -0.82 118.95 119.61 3i67 s ARG 85 Ca -0.00 -0.17 -0.26 0.00 -0.52 0.00 0.00 55.73 54.78 3i67 s ARG 85 Cb -0.15 -0.50 -0.10 0.00 0.52 0.00 0.00 34.95 34.72 3i67 s ARG 85 CO -0.03 0.08 1.31 0.39 0.02 0.00 0.00 175.30 177.07 3i67 n GLU 86 N 3.18 2.07 -2.77 3.54 1.02 -0.54 -0.56 120.64 126.58 3i67 n GLU 86 Ca -0.16 0.73 -0.21 0.00 -0.02 0.00 0.00 57.16 57.50 3i67 n GLU 86 Cb 0.56 -2.42 0.07 0.00 -0.02 0.00 0.00 31.44 29.64 3i67 n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i67 s THR 87 N -1.17 2.32 0.46 2.62 -4.23 -0.36 -4.77 115.64 110.51 3i67 s THR 87 Ca 0.59 -0.76 0.12 0.00 -1.18 0.00 0.00 61.69 60.46 3i67 s THR 87 Cb -0.51 -2.55 0.24 0.00 1.34 0.00 0.00 72.50 71.02 3i67 s THR 87 CO 0.59 0.00 2.07 1.23 -0.54 0.00 0.00 174.62 177.97 3i67 h GLY 88 N -0.11 0.22 1.91 3.99 0.00 -1.95 -2.39 103.07 104.75 3i67 h GLY 88 Ca -0.36 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3i67 h GLY 88 CO 0.43 0.09 0.00 1.44 0.00 0.00 0.00 176.54 178.50 3i67 n SER 89 N -4.46 0.00 -4.68 0.19 7.64 -1.26 -4.83 113.62 106.22 3i67 n SER 89 Ca -0.01 0.38 -0.42 0.00 1.01 0.00 0.00 58.87 59.83 3i67 n SER 89 Cb 0.12 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 3i67 n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3i67 s SER 90 N -2.91 6.81 -0.22 6.43 0.15 -0.90 -4.83 113.70 118.23 3i67 s SER 90 Ca 0.14 2.14 -0.03 0.00 0.70 0.00 0.00 55.95 58.90 3i67 s SER 90 Cb 0.16 -2.56 0.11 0.00 -1.71 0.00 0.00 66.02 62.03 3i67 s SER 90 CO 0.44 -0.76 0.30 -0.75 1.20 0.00 0.00 173.24 173.67 3i67 s LYS 91 N 2.66 0.27 0.23 5.44 2.20 -1.06 -4.88 119.74 124.59 3i67 s LYS 91 Ca 0.65 0.40 -0.31 0.00 -0.36 0.00 0.00 55.97 56.35 3i67 s LYS 91 Cb -0.32 -0.79 -0.15 0.00 -1.51 0.00 0.00 37.83 35.07 3i67 s LYS 91 CO 0.27 -0.63 1.17 0.98 -0.36 0.00 0.00 175.35 176.78 3i67 n TYR 92 N 5.34 1.48 0.52 4.03 9.36 -1.26 0.47 117.16 137.10 3i67 n TYR 92 Ca -0.05 0.63 0.05 0.00 3.32 0.00 0.00 57.90 61.85 3i67 n TYR 92 Cb 0.50 -2.31 0.17 0.00 -0.63 0.00 0.00 39.34 37.07 3i67 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3i67 n PRO 93 N 1.46 2.30 -3.11 2.98 -0.04 -1.26 -4.96 135.00 132.37 3i67 n PRO 93 Ca 0.12 -1.38 -0.39 0.00 -0.04 0.00 0.00 63.50 61.81 3i67 n PRO 93 Cb 0.29 -1.55 -0.01 0.00 -0.04 0.00 0.00 33.50 32.19 3i67 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i67 n ASN 94 N 0.43 5.75 -4.76 3.54 4.13 0.18 -5.05 115.26 119.47 3i67 n ASN 94 Ca 0.12 -3.42 -0.38 0.00 1.68 0.00 0.00 54.58 52.59 3i67 n ASN 94 Cb 0.48 -1.12 0.02 0.00 -1.54 0.00 0.00 39.78 37.63 3i67 n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i67 s ALA 96 N -1.41 -0.06 0.01 0.00 0.00 -1.26 -4.89 121.76 114.14 3i67 s ALA 96 Ca 0.69 0.46 0.06 0.00 0.00 0.00 0.00 51.96 53.17 3i67 s ALA 96 Cb -0.35 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 3i67 s ALA 96 CO 0.42 -0.18 -0.19 0.71 0.00 0.00 0.00 175.76 176.52 3i67 s TYR 97 N 1.26 1.69 0.04 0.00 2.02 -1.26 -1.22 117.35 119.89 3i67 s TYR 97 Ca -0.07 -0.34 -0.25 0.00 -0.37 0.00 0.00 57.07 56.04 3i67 s TYR 97 Cb -0.12 -1.06 -0.05 0.00 -0.40 0.00 0.00 41.96 40.32 3i67 s TYR 97 CO -0.04 0.01 0.78 0.21 -1.57 0.00 0.00 175.55 174.93 3i67 s LYS 98 N -0.70 4.50 -0.28 -0.62 2.20 0.27 -4.61 119.74 120.52 3i67 s LYS 98 Ca 0.07 1.08 -0.09 0.00 -0.36 0.00 0.00 55.97 56.67 3i67 s LYS 98 Cb -0.08 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 3i67 s LYS 98 CO 0.00 0.26 0.13 0.99 -0.36 0.00 0.00 175.35 176.38 3i67 s THR 99 N 0.00 4.72 -0.22 3.43 2.01 -1.26 -2.39 115.64 121.94 3i67 s THR 99 Ca 0.39 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.28 3i67 s THR 99 Cb -0.20 -3.27 0.05 0.00 0.01 0.00 0.00 72.50 69.08 3i67 s THR 99 CO 0.23 0.24 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.41 3i67 s THR 100 N 1.66 1.74 0.05 -0.82 2.01 -0.44 -4.95 115.64 114.90 3i67 s THR 100 Ca 0.06 -1.17 -0.16 0.00 0.31 0.00 0.00 61.69 60.73 3i67 s THR 100 Cb -0.16 -1.85 -0.06 0.00 0.01 0.00 0.00 72.50 70.44 3i67 s THR 100 CO 0.07 0.10 0.48 -1.58 -0.69 0.00 0.00 174.62 173.00 3i67 s GLN 101 N 1.33 4.02 0.22 4.92 2.00 -1.26 -0.68 119.66 130.22 3i67 s GLN 101 Ca -0.03 0.53 -0.17 0.00 -2.00 0.00 0.00 55.36 53.68 3i67 s GLN 101 Cb -0.17 -3.18 0.02 0.00 0.80 0.00 0.00 33.01 30.48 3i67 s GLN 101 CO -0.07 0.64 0.56 0.00 -0.50 0.00 0.00 175.29 175.91 3i67 s ALA 102 N -1.15 -0.85 -0.28 1.58 0.00 -0.19 -4.99 121.76 115.87 3i67 s ALA 102 Ca 0.28 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.89 3i67 s ALA 102 Cb -0.17 0.90 0.07 0.00 0.00 0.00 0.00 23.12 23.92 3i67 s ALA 102 CO 0.16 -0.87 -0.05 -0.80 0.00 0.00 0.00 175.76 174.21 3i67 s ASN 103 N -2.91 4.37 0.07 0.00 -0.87 -1.26 -0.52 114.94 113.82 3i67 s ASN 103 Ca 0.12 -1.54 -0.07 0.00 -1.57 0.00 0.00 52.86 49.80 3i67 s ASN 103 Cb -0.02 -1.45 -0.01 0.00 -0.02 0.00 0.00 41.25 39.75 3i67 s ASN 103 CO 0.02 -0.26 0.14 -0.54 -2.57 0.00 0.00 177.10 173.90 3i67 s LYS 104 N 1.14 0.75 0.50 -0.60 -0.14 -0.43 -4.78 119.74 116.19 3i67 s LYS 104 Ca -0.03 -0.92 -0.21 0.00 -1.36 0.00 0.00 55.97 53.44 3i67 s LYS 104 Cb -0.19 0.30 -0.06 0.00 -1.68 0.00 0.00 37.83 36.19 3i67 s LYS 104 CO -0.07 -0.22 1.18 -1.01 -0.76 0.00 0.00 175.35 174.47 3i67 s HIS 105 N -3.52 2.72 0.15 3.18 3.76 0.53 -0.38 115.29 121.74 3i67 s HIS 105 Ca 0.03 1.52 0.07 0.00 -0.15 0.00 0.00 55.06 56.53 3i67 s HIS 105 Cb 0.04 -3.40 -0.04 0.00 1.11 0.00 0.00 32.58 30.29 3i67 s HIS 105 CO -0.09 -1.71 -0.04 0.96 -0.85 0.00 0.00 174.74 173.01 3i67 s ILE 106 N -1.59 3.59 -0.14 0.60 -4.36 -1.26 -0.32 121.20 117.72 3i67 s ILE 106 Ca 0.68 -1.37 0.00 0.00 -0.26 0.00 0.00 60.65 59.70 3i67 s ILE 106 Cb -0.28 -2.76 0.02 0.00 1.25 0.00 0.00 42.46 40.69 3i67 s ILE 106 CO 0.33 -0.03 -0.13 -0.63 0.24 0.00 0.00 174.94 174.73 3i67 s ILE 107 N -1.55 1.43 0.12 8.37 1.01 0.26 -0.83 121.20 130.02 3i67 s ILE 107 Ca 0.25 -0.55 0.08 0.00 0.00 0.00 0.00 60.65 60.44 3i67 s ILE 107 Cb -0.10 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3i67 s ILE 107 CO 0.17 0.43 -0.20 0.68 0.00 0.00 0.00 174.94 176.02 3i67 s VAL 108 N 1.49 1.78 -0.03 2.92 -7.23 -0.49 -0.45 120.40 118.39 3i67 s VAL 108 Ca 0.04 -1.67 -0.16 0.00 -1.81 0.00 0.00 61.98 58.38 3i67 s VAL 108 Cb -0.13 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 3i67 s VAL 108 CO -0.09 -0.13 0.44 0.00 -0.31 0.00 0.00 175.10 175.01 3i67 s ALA 109 N -1.41 3.62 0.11 1.32 0.00 -0.19 -0.61 121.76 124.60 3i67 s ALA 109 Ca 0.10 -0.19 0.10 0.00 0.00 0.00 0.00 51.96 51.97 3i67 s ALA 109 Cb -0.09 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 3i67 s ALA 109 CO 0.05 0.32 -0.26 0.00 0.00 0.00 0.00 175.76 175.87 3i67 s GLU 111 N -1.92 1.02 0.00 0.00 2.02 -0.41 -4.89 118.70 114.53 3i67 s GLU 111 Ca 0.13 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.05 3i67 s GLU 111 Cb -0.10 0.47 0.00 0.00 0.10 0.00 0.00 34.13 34.60 3i67 s GLU 111 CO 0.05 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.39 3i67 n GLY 112 N 0.62 -4.05 2.77 -1.39 0.00 -1.26 -2.14 105.19 99.74 3i67 n GLY 112 Ca -0.19 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.43 3i67 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i67 s ASN 113 N -0.38 3.42 0.69 1.61 3.04 -1.26 -2.41 114.94 119.65 3i67 s ASN 113 Ca 0.00 -1.13 -0.15 0.00 0.04 0.00 0.00 52.86 51.62 3i67 s ASN 113 Cb 0.00 -0.78 0.02 0.00 -1.54 0.00 0.00 41.25 38.95 3i67 s ASN 113 CO 0.00 -0.33 1.15 -2.16 -3.04 0.00 0.00 177.10 172.72 3i67 s PRO 114 N 1.71 2.49 -0.64 0.43 0.04 -1.26 -5.09 135.00 132.68 3i67 s PRO 114 Ca 0.01 1.54 -0.24 0.00 0.04 0.00 0.00 61.00 62.35 3i67 s PRO 114 Cb -0.17 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.52 3i67 s PRO 114 CO -0.13 -1.52 1.03 -0.47 0.04 0.00 0.00 177.00 175.95 3i67 s TYR 115 N -2.21 2.63 0.21 0.56 5.04 -1.01 -4.86 117.35 117.71 3i67 s TYR 115 Ca 0.70 -0.26 0.04 0.00 -2.44 0.00 0.00 57.07 55.11 3i67 s TYR 115 Cb -0.24 -4.30 -0.05 0.00 0.35 0.00 0.00 41.96 37.72 3i67 s TYR 115 CO 0.43 -1.65 -0.02 0.14 -1.34 0.00 0.00 175.55 173.11 3i67 s VAL 116 N 4.40 1.05 0.24 3.14 -7.23 -0.91 -4.82 120.40 116.26 3i67 s VAL 116 Ca 0.28 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 3i67 s VAL 116 Cb -0.14 -2.24 -0.10 0.00 0.56 0.00 0.00 36.38 34.47 3i67 s VAL 116 CO 0.14 -0.41 1.47 -2.84 -0.31 0.00 0.00 175.10 173.15 3i67 s PRO 117 N -3.84 4.25 0.00 4.82 0.02 -1.26 -1.29 135.00 137.69 3i67 s PRO 117 Ca 0.26 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3i67 s PRO 117 Cb 0.05 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.46 3i67 s PRO 117 CO 0.07 -0.46 0.00 1.33 -0.33 0.00 0.00 177.00 177.61 3i67 n VAL 118 N 2.59 0.00 -3.80 3.83 0.24 0.67 -4.48 118.33 117.37 3i67 n VAL 118 Ca 0.08 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 3i67 n VAL 118 Cb 0.40 0.75 -0.10 0.00 -1.47 0.00 0.00 33.84 33.41 3i67 n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3i67 s HIS 119 N -0.96 -0.17 -0.36 6.34 3.76 -1.12 -4.65 115.29 118.13 3i67 s HIS 119 Ca 0.00 0.37 -0.16 0.00 -0.15 0.00 0.00 55.06 55.12 3i67 s HIS 119 Cb 0.00 0.06 -0.00 0.00 1.11 0.00 0.00 32.58 33.74 3i67 s HIS 119 CO 0.00 -0.24 0.39 0.12 -0.85 0.00 0.00 174.74 174.16 3i67 s PHE 120 N -0.63 3.20 -0.14 1.40 2.19 -1.26 -1.02 117.98 121.72 3i67 s PHE 120 Ca -0.07 -0.08 -0.19 0.00 0.33 0.00 0.00 56.93 56.92 3i67 s PHE 120 Cb -0.04 -2.74 -0.24 0.00 -1.31 0.00 0.00 43.02 38.69 3i67 s PHE 120 CO 0.02 -0.50 0.47 0.22 1.83 0.00 0.00 175.22 177.26 3i67 h ASP 121 N 8.52 0.20 -5.71 6.13 3.58 -1.10 -3.49 116.42 124.55 3i67 h ASP 121 Ca -0.29 -0.77 0.30 0.00 0.42 0.00 0.00 57.03 56.70 3i67 h ASP 121 Cb 1.13 -0.07 -0.11 0.00 1.72 0.00 0.00 39.33 42.01 3i67 h ASP 121 CO 0.72 1.50 0.78 0.00 -2.88 0.00 0.00 179.24 179.36 3i67 s ALA 122 N -2.41 -2.15 0.16 -0.78 0.00 -1.13 -4.96 121.76 110.49 3i67 s ALA 122 Ca -0.23 0.57 0.11 0.00 0.00 0.00 0.00 51.96 52.42 3i67 s ALA 122 Cb 0.04 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 3i67 s ALA 122 CO 0.70 -1.06 -0.25 -1.54 0.00 0.00 0.00 175.76 173.61 3i67 s SER 123 N -3.01 3.35 0.00 0.00 1.04 -1.26 -0.57 113.70 113.25 3i67 s SER 123 Ca 0.14 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.77 3i67 s SER 123 Cb 0.04 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.92 3i67 s SER 123 CO -0.03 0.15 0.23 1.33 0.98 0.00 0.00 173.24 175.90