#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6j s GLU 2 N 0.00 4.43 0.80 1.97 2.12 -1.26 -5.01 118.70 121.75 3i6j s GLU 2 Ca 0.00 2.03 -0.10 0.00 0.36 0.00 0.00 54.97 57.25 3i6j s GLU 2 Cb 0.00 -3.18 0.07 0.00 0.26 0.00 0.00 34.13 31.29 3i6j s GLU 2 CO 0.00 -0.15 1.10 0.95 -0.54 0.00 0.00 175.26 176.62 3i6j s THR 3 N -0.34 3.14 0.23 -1.70 -4.23 -1.26 -4.85 115.64 106.63 3i6j s THR 3 Ca 0.53 0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 61.35 3i6j s THR 3 Cb -0.36 -2.79 0.14 0.00 1.34 0.00 0.00 72.50 70.83 3i6j s THR 3 CO 0.41 -0.48 1.77 0.00 -0.54 0.00 0.00 174.62 175.77 3i6j h ALA 4 N -1.24 1.05 -0.61 3.99 0.00 -1.95 -0.85 119.26 119.65 3i6j h ALA 4 Ca -0.44 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 3i6j h ALA 4 Cb 1.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3i6j h ALA 4 CO 0.50 0.64 0.07 0.00 0.00 0.00 0.00 179.25 180.46 3i6j h ALA 5 N 1.18 0.81 -0.28 0.00 0.00 -1.90 -1.79 119.26 117.28 3i6j h ALA 5 Ca 0.22 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3i6j h ALA 5 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i6j h ALA 5 CO -0.01 0.59 -0.33 0.00 0.00 0.00 0.00 179.25 179.50 3i6j h ALA 6 N 1.01 0.89 -0.63 0.00 0.00 -1.82 -2.15 119.26 116.56 3i6j h ALA 6 Ca 0.18 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3i6j h ALA 6 Cb 0.46 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3i6j h ALA 6 CO 0.02 0.63 0.17 -0.22 0.00 0.00 0.00 179.25 179.84 3i6j h LYS 7 N 0.52 1.00 -0.53 0.00 3.64 -1.00 -1.15 116.57 119.05 3i6j h LYS 7 Ca 0.06 -0.23 0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3i6j h LYS 7 Cb 0.82 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 3i6j h LYS 7 CO 0.07 0.90 0.33 0.35 -2.27 0.00 0.00 179.45 178.82 3i6j h PHE 8 N 0.92 0.61 -0.05 1.91 3.04 -1.12 -0.18 116.94 122.08 3i6j h PHE 8 Ca 0.20 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.18 3i6j h PHE 8 Cb 0.34 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 3i6j h PHE 8 CO 0.02 0.36 -0.01 0.93 -2.02 0.00 0.00 178.31 177.59 3i6j h GLU 9 N 0.65 0.00 -0.65 1.11 5.08 -1.06 0.59 114.58 120.30 3i6j h GLU 9 Ca 0.21 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3i6j h GLU 9 Cb 0.00 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3i6j h GLU 9 CO -0.09 0.00 0.37 -0.09 -1.00 0.00 0.00 179.01 178.21 3i6j h ARG 10 N 0.00 0.90 0.00 2.33 2.43 -0.98 -1.79 114.38 117.27 3i6j h ARG 10 Ca 0.02 -0.09 -0.19 0.00 -0.81 0.00 0.00 59.98 58.91 3i6j h ARG 10 Cb 0.04 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3i6j h ARG 10 CO -0.05 0.66 -0.93 1.96 -1.51 0.00 0.00 179.97 180.10 3i6j h GLN 11 N 0.88 0.00 0.00 0.20 4.20 -0.86 -3.41 115.11 116.13 3i6j h GLN 11 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3i6j h GLN 11 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3i6j h GLN 11 CO -0.04 0.93 0.00 0.72 -0.67 0.00 0.00 178.83 179.77 3i6j n HIS 12 N -3.40 0.00 -3.96 2.96 8.25 0.18 -4.65 115.22 114.61 3i6j n HIS 12 Ca -0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 3i6j n HIS 12 Cb 0.89 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.90 3i6j n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3i6j s MET 13 N -0.43 3.95 -0.39 -0.41 -1.94 -0.68 -0.32 119.30 119.08 3i6j s MET 13 Ca 0.00 -0.35 0.03 0.00 -1.71 0.00 0.00 55.69 53.65 3i6j s MET 13 Cb 0.00 -3.25 0.16 0.00 2.01 0.00 0.00 34.83 33.75 3i6j s MET 13 CO 0.00 0.21 0.31 0.34 -0.01 0.00 0.00 175.02 175.86 3i6j s ASP 14 N 0.55 1.84 0.00 3.03 2.15 -0.33 -4.84 116.67 119.07 3i6j s ASP 14 Ca 0.04 -2.73 0.31 0.00 0.43 0.00 0.00 52.55 50.60 3i6j s ASP 14 Cb -0.13 -0.35 1.62 0.00 -0.30 0.00 0.00 42.92 43.76 3i6j s ASP 14 CO 0.01 -0.22 2.07 -1.20 -0.17 0.00 0.00 175.17 175.67 3i6j n SER 15 N 3.26 0.35 -0.48 -0.34 7.64 -1.26 -3.97 113.62 118.83 3i6j n SER 15 Ca 0.24 -0.97 0.13 0.00 1.01 0.00 0.00 58.87 59.27 3i6j n SER 15 Cb 0.45 -0.03 0.27 0.00 -1.01 0.00 0.00 64.21 63.88 3i6j n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i6j n SER 16 N -0.79 1.70 -4.06 6.43 3.41 -1.26 -4.84 113.62 114.20 3i6j n SER 16 Ca 0.21 -1.37 -0.14 0.00 -0.26 0.00 0.00 58.87 57.32 3i6j n SER 16 Cb 0.19 0.17 -0.12 0.00 -0.26 0.00 0.00 64.21 64.19 3i6j n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3i6j s THR 17 N -2.30 0.58 -0.29 6.66 -4.23 -1.25 -5.03 115.64 109.77 3i6j s THR 17 Ca 0.27 -1.03 0.22 0.00 -1.18 0.00 0.00 61.69 59.97 3i6j s THR 17 Cb 0.19 -0.63 0.26 0.00 1.34 0.00 0.00 72.50 73.67 3i6j s THR 17 CO 0.45 -0.33 1.60 0.77 -0.54 0.00 0.00 174.62 176.58 3i6j h SER 18 N 4.61 0.00 -4.28 3.99 4.64 -1.88 -3.44 113.55 117.18 3i6j h SER 18 Ca -0.36 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.18 3i6j h SER 18 Cb 1.20 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.11 3i6j h SER 18 CO 0.41 0.15 0.74 0.00 -0.87 0.00 0.00 176.83 177.26 3i6j s ALA 19 N -3.20 -2.01 0.15 5.18 0.00 -1.26 -4.85 121.76 115.77 3i6j s ALA 19 Ca 0.05 1.48 -0.32 0.00 0.00 0.00 0.00 51.96 53.18 3i6j s ALA 19 Cb 0.06 -0.07 -0.11 0.00 0.00 0.00 0.00 23.12 23.00 3i6j s ALA 19 CO 0.68 -0.59 1.80 0.00 0.00 0.00 0.00 175.76 177.65 3i6j n ALA 20 N -0.07 2.39 1.01 0.00 0.00 -1.26 -4.90 120.51 117.68 3i6j n ALA 20 Ca -0.02 0.35 0.11 0.00 0.00 0.00 0.00 53.44 53.88 3i6j n ALA 20 Cb 0.59 -2.57 0.02 0.00 0.00 0.00 0.00 19.45 17.49 3i6j n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i6j n SER 21 N 5.05 2.16 -3.68 0.00 3.41 -1.26 -5.00 113.62 114.29 3i6j n SER 21 Ca 0.17 -1.58 -0.06 0.00 -0.26 0.00 0.00 58.87 57.14 3i6j n SER 21 Cb 0.36 0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.70 3i6j n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3i6j s SER 22 N -2.41 -0.28 0.50 4.04 1.04 -1.26 -5.03 113.70 110.30 3i6j s SER 22 Ca 0.20 -0.31 0.33 0.00 0.48 0.00 0.00 55.95 56.66 3i6j s SER 22 Cb 0.18 0.52 1.59 0.00 0.10 0.00 0.00 66.02 68.41 3i6j s SER 22 CO 0.53 -0.93 2.00 0.77 0.98 0.00 0.00 173.24 176.60 3i6j h SER 23 N 2.00 0.00 0.04 7.02 4.64 -1.95 -2.58 113.55 122.73 3i6j h SER 23 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3i6j h SER 23 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3i6j h SER 23 CO 0.28 0.00 -0.07 0.59 -0.87 0.00 0.00 176.83 176.76 3i6j n ASN 24 N -2.80 1.47 -0.13 4.97 3.02 -1.26 -4.37 115.26 116.16 3i6j n ASN 24 Ca -0.00 -1.38 -0.04 0.00 -0.03 0.00 0.00 54.58 53.12 3i6j n ASN 24 Cb 0.18 0.04 0.02 0.00 -0.61 0.00 0.00 39.78 39.41 3i6j n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3i6j h TYR 25 N 2.20 -0.30 -0.26 3.10 3.20 -1.86 -2.37 116.97 120.69 3i6j h TYR 25 Ca 0.00 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 3i6j h TYR 25 Cb 0.53 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3i6j h TYR 25 CO 0.00 -0.21 0.01 0.00 -1.64 0.00 0.00 178.16 176.31 3i6j h ASN 27 N 0.23 0.24 -0.17 0.00 2.35 -1.77 0.90 115.58 117.36 3i6j h ASN 27 Ca 0.07 0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 3i6j h ASN 27 Cb 0.40 0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 3i6j h ASN 27 CO 0.01 0.09 -0.15 1.56 -1.65 0.00 0.00 177.43 177.29 3i6j h GLN 28 N 0.42 0.41 -0.12 0.81 4.20 -1.08 -3.02 115.11 116.72 3i6j h GLN 28 Ca 0.40 -0.21 -0.20 0.00 0.06 0.00 0.00 58.65 58.70 3i6j h GLN 28 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 3i6j h GLN 28 CO -0.40 0.76 -0.74 0.52 -0.67 0.00 0.00 178.83 178.30 3i6j h MET 29 N 0.07 0.58 -0.55 1.46 2.86 -0.63 -1.86 114.93 116.85 3i6j h MET 29 Ca 0.03 -0.46 -0.05 0.00 -2.06 0.00 0.00 59.70 57.16 3i6j h MET 29 Cb 0.68 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 3i6j h MET 29 CO 0.04 1.09 0.16 0.52 1.06 0.00 0.00 176.91 179.77 3i6j h MET 30 N 0.40 0.83 -0.01 1.72 2.86 -0.92 -1.09 114.93 118.72 3i6j h MET 30 Ca -0.04 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3i6j h MET 30 Cb 1.33 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 3i6j h MET 30 CO 0.14 0.73 -0.01 -0.22 1.06 0.00 0.00 176.91 178.61 3i6j h LYS 31 N 0.81 0.03 0.00 1.72 3.64 -1.43 0.32 116.57 121.65 3i6j h LYS 31 Ca 0.18 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3i6j h LYS 31 Cb 0.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3i6j h LYS 31 CO -0.01 0.50 -0.40 0.66 -2.27 0.00 0.00 179.45 177.93 3i6j h SER 32 N -0.44 0.00 -0.28 4.20 4.64 -1.19 -1.48 113.55 119.00 3i6j h SER 32 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i6j h SER 32 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3i6j h SER 32 CO 0.00 0.40 0.00 0.54 -0.87 0.00 0.00 176.83 176.90 3i6j n ARG 33 N -3.64 1.77 -3.45 4.77 5.12 -0.43 -4.91 116.66 115.88 3i6j n ARG 33 Ca -0.01 -1.06 -0.20 0.00 -1.93 0.00 0.00 57.85 54.65 3i6j n ARG 33 Cb 0.50 -1.29 0.08 0.00 -1.16 0.00 0.00 32.46 30.58 3i6j n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3i6j n ASN 34 N 0.33 -5.04 -0.96 0.55 5.03 -0.56 -4.87 115.26 109.74 3i6j n ASN 34 Ca 0.10 -0.51 0.10 0.00 0.87 0.00 0.00 54.58 55.13 3i6j n ASN 34 Cb 0.29 -4.66 0.18 0.00 -1.02 0.00 0.00 39.78 34.57 3i6j n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3i6j n LEU 35 N -4.43 3.17 -0.53 3.41 4.77 0.10 -4.27 117.00 119.21 3i6j n LEU 35 Ca -0.06 -1.54 0.06 0.00 -0.03 0.00 0.00 56.01 54.44 3i6j n LEU 35 Cb 0.58 -0.22 0.12 0.00 -2.33 0.00 0.00 43.42 41.56 3i6j n LEU 35 CO 0.58 0.70 0.37 0.35 -1.33 0.00 0.00 177.39 178.06 3i6j n THR 36 N 1.20 1.33 0.49 -5.08 -2.24 -1.20 -2.10 114.28 106.68 3i6j n THR 36 Ca 0.16 -1.93 -0.19 0.00 -2.27 0.00 0.00 64.05 59.82 3i6j n THR 36 Cb 0.53 0.09 -0.09 0.00 -2.10 0.00 0.00 70.33 68.76 3i6j n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3i6j h LYS 37 N 0.45 -1.20 0.00 -0.78 3.64 -1.90 -3.38 116.57 113.39 3i6j h LYS 37 Ca -0.04 0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3i6j h LYS 37 Cb 1.22 0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 33.31 3i6j h LYS 37 CO 0.02 -0.80 -1.44 -0.25 -2.27 0.00 0.00 179.45 174.71 3i6j n ASP 38 N -5.43 2.85 -3.61 4.20 8.00 -1.26 -5.03 116.55 116.27 3i6j n ASP 38 Ca -0.16 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.24 3i6j n ASP 38 Cb 0.49 1.41 -0.04 0.00 -0.02 0.00 0.00 41.12 42.96 3i6j n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i6j s ARG 39 N -2.64 1.24 -0.31 -1.24 1.70 -1.26 -5.03 118.95 111.40 3i6j s ARG 39 Ca -0.03 -0.69 -0.27 0.00 -0.47 0.00 0.00 55.73 54.26 3i6j s ARG 39 Cb 0.06 0.52 0.01 0.00 -0.57 0.00 0.00 34.95 34.97 3i6j s ARG 39 CO 0.39 -0.52 0.99 0.00 -1.08 0.00 0.00 175.30 175.09 3i6j s LYS 41 N 3.42 4.15 0.20 0.00 2.20 -0.89 -4.89 119.74 123.93 3i6j s LYS 41 Ca 0.42 2.56 -0.08 0.00 -0.36 0.00 0.00 55.97 58.50 3i6j s LYS 41 Cb -0.13 -3.70 0.12 0.00 -1.51 0.00 0.00 37.83 32.61 3i6j s LYS 41 CO 0.14 -0.85 1.69 -1.35 -0.36 0.00 0.00 175.35 174.62 3i6j h PRO 42 N 8.94 1.09 -3.52 4.03 0.11 -1.94 -3.44 132.00 137.28 3i6j h PRO 42 Ca -0.46 -0.30 -0.23 0.00 0.11 0.00 0.00 66.00 65.12 3i6j h PRO 42 Cb 1.22 -0.13 -0.29 0.00 0.11 0.00 0.00 31.00 31.91 3i6j h PRO 42 CO 0.94 1.01 -0.65 0.08 -0.21 0.00 0.00 178.00 179.17 3i6j s VAL 43 N -5.17 -0.02 -0.28 3.15 1.01 -1.26 -1.24 120.40 116.59 3i6j s VAL 43 Ca -0.12 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.74 3i6j s VAL 43 Cb 0.14 -0.12 0.08 0.00 0.00 0.00 0.00 36.38 36.49 3i6j s VAL 43 CO 0.85 0.03 0.72 0.21 0.00 0.00 0.00 175.10 176.91 3i6j s ASN 44 N 0.37 -0.85 -0.15 3.32 2.47 -0.03 -5.01 114.94 115.07 3i6j s ASN 44 Ca -0.03 1.45 -0.04 0.00 0.42 0.00 0.00 52.86 54.66 3i6j s ASN 44 Cb -0.04 1.39 -0.03 0.00 -1.45 0.00 0.00 41.25 41.12 3i6j s ASN 44 CO -0.01 -0.24 -0.01 -0.89 -3.72 0.00 0.00 177.10 172.23 3i6j s THR 45 N 1.20 4.19 -0.10 -5.21 2.01 -1.26 -0.63 115.64 115.83 3i6j s THR 45 Ca -0.07 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 3i6j s THR 45 Cb -0.05 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 3i6j s THR 45 CO -0.13 0.51 0.02 -0.36 -0.69 0.00 0.00 174.62 173.97 3i6j s PHE 46 N 0.11 3.21 -0.21 4.92 0.08 0.08 -4.37 117.98 121.80 3i6j s PHE 46 Ca 0.01 0.19 -0.07 0.00 0.12 0.00 0.00 56.93 57.18 3i6j s PHE 46 Cb -0.13 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 3i6j s PHE 46 CO 0.02 0.43 0.04 0.08 -0.10 0.00 0.00 175.22 175.70 3i6j s VAL 47 N -0.69 4.36 -1.13 -0.44 1.01 0.57 -0.57 120.40 123.51 3i6j s VAL 47 Ca 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 3i6j s VAL 47 Cb -0.12 -2.99 0.26 0.00 0.00 0.00 0.00 36.38 33.53 3i6j s VAL 47 CO 0.02 0.41 1.83 1.41 0.00 0.00 0.00 175.10 178.77 3i6j n HIS 48 N 4.20 2.58 -4.15 5.22 -0.00 0.64 -1.19 115.22 122.53 3i6j n HIS 48 Ca -0.17 -2.64 -0.11 0.00 -0.00 0.00 0.00 57.72 54.80 3i6j n HIS 48 Cb 0.52 -1.42 -0.09 0.00 -0.00 0.00 0.00 29.99 29.00 3i6j n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3i6j s GLU 49 N -2.69 1.32 0.70 -0.41 0.41 -1.26 -4.45 118.70 112.33 3i6j s GLU 49 Ca 0.39 -1.54 -0.15 0.00 -0.41 0.00 0.00 54.97 53.26 3i6j s GLU 49 Cb 0.13 0.33 0.02 0.00 -1.78 0.00 0.00 34.13 32.83 3i6j s GLU 49 CO -0.03 -0.47 1.15 -1.54 -0.49 0.00 0.00 175.26 173.88 3i6j s SER 50 N -3.13 4.64 0.25 -0.19 1.04 -1.26 -4.16 113.70 110.89 3i6j s SER 50 Ca 0.34 2.15 -0.03 0.00 0.48 0.00 0.00 55.95 58.89 3i6j s SER 50 Cb 0.05 -2.57 0.40 0.00 0.10 0.00 0.00 66.02 64.00 3i6j s SER 50 CO 0.12 -1.95 1.85 0.25 0.98 0.00 0.00 173.24 174.48 3i6j h LEU 51 N -0.19 0.86 -0.80 2.42 5.85 -1.97 -2.10 115.31 119.38 3i6j h LEU 51 Ca -0.47 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3i6j h LEU 51 Cb 1.27 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 3i6j h LEU 51 CO 0.52 0.52 0.52 0.00 -0.34 0.00 0.00 178.44 179.66 3i6j h ALA 52 N 1.45 1.02 -0.52 1.25 0.00 -1.99 0.28 119.26 120.75 3i6j h ALA 52 Ca 0.41 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 3i6j h ALA 52 Cb 0.27 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3i6j h ALA 52 CO -0.21 0.45 0.07 -0.44 0.00 0.00 0.00 179.25 179.12 3i6j h ASP 53 N 1.10 0.79 -0.15 0.00 5.19 -1.76 -0.65 116.42 120.93 3i6j h ASP 53 Ca 0.29 -0.17 -0.18 0.00 -0.62 0.00 0.00 57.03 56.36 3i6j h ASP 53 Cb -0.10 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 39.21 3i6j h ASP 53 CO -0.06 0.81 -0.59 0.58 -3.12 0.00 0.00 179.24 176.86 3i6j h VAL 54 N 0.79 1.32 -0.47 -1.35 2.07 -0.97 -3.08 116.25 114.55 3i6j h VAL 54 Ca 0.16 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.85 3i6j h VAL 54 Cb 0.38 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3i6j h VAL 54 CO 0.01 0.57 0.30 1.56 0.02 0.00 0.00 177.57 180.03 3i6j h GLN 55 N 0.35 0.62 0.00 1.57 4.20 -0.75 -1.84 115.11 119.25 3i6j h GLN 55 Ca -0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3i6j h GLN 55 Cb 1.22 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 3i6j h GLN 55 CO 0.12 0.42 -0.04 0.00 -0.67 0.00 0.00 178.83 178.66 3i6j h ALA 56 N 1.70 1.29 0.00 3.87 0.00 -1.03 -2.27 119.26 122.81 3i6j h ALA 56 Ca 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i6j h ALA 56 Cb -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3i6j h ALA 56 CO -0.04 0.05 -0.00 0.28 0.00 0.00 0.00 179.25 179.54 3i6j h VAL 57 N 0.00 0.77 0.00 0.00 2.07 -1.35 -1.72 116.25 116.02 3i6j h VAL 57 Ca -0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3i6j h VAL 57 Cb 0.15 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3i6j h VAL 57 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3i6j n SER 59 N -1.50 2.78 0.00 0.00 3.41 -0.65 -5.00 113.62 112.66 3i6j n SER 59 Ca 0.01 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.68 3i6j n SER 59 Cb 0.05 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 3i6j n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i6j n GLN 60 N -1.03 1.70 -2.62 4.33 6.02 0.00 -5.00 117.38 120.79 3i6j n GLN 60 Ca 0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.72 3i6j n GLN 60 Cb 0.67 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.91 3i6j n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3i6j s LYS 61 N 4.15 4.02 -0.07 -1.09 2.47 -1.07 -4.87 119.74 123.27 3i6j s LYS 61 Ca 0.00 1.02 -0.30 0.00 -1.56 0.00 0.00 55.97 55.14 3i6j s LYS 61 Cb 0.00 -3.77 -0.04 0.00 -1.46 0.00 0.00 37.83 32.56 3i6j s LYS 61 CO 0.00 -0.97 1.36 1.21 0.16 0.00 0.00 175.35 177.11 3i6j s ASN 62 N 1.83 6.89 0.10 1.43 3.04 -1.26 -0.31 114.94 126.66 3i6j s ASN 62 Ca 0.46 1.95 0.01 0.00 0.04 0.00 0.00 52.86 55.33 3i6j s ASN 62 Cb -0.12 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 3i6j s ASN 62 CO 0.18 -0.74 -0.04 0.68 -3.04 0.00 0.00 177.10 174.14 3i6j s VAL 63 N 2.95 0.56 0.47 -5.21 -7.23 -0.22 -4.94 120.40 106.78 3i6j s VAL 63 Ca 0.61 -1.91 -0.23 0.00 -1.81 0.00 0.00 61.98 58.64 3i6j s VAL 63 Cb -0.28 -1.71 -0.07 0.00 0.56 0.00 0.00 36.38 34.88 3i6j s VAL 63 CO 0.23 -0.84 1.25 0.00 -0.31 0.00 0.00 175.10 175.43 3i6j s ALA 64 N -3.72 3.00 0.54 1.32 0.00 -1.26 -3.39 121.76 118.25 3i6j s ALA 64 Ca 0.13 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 3i6j s ALA 64 Cb 0.06 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 3i6j s ALA 64 CO -0.05 -0.91 0.94 0.00 0.00 0.00 0.00 175.76 175.74 3i6j h LYS 66 N 0.29 0.23 -0.04 0.00 1.57 -1.93 -0.58 116.57 116.12 3i6j h LYS 66 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3i6j h LYS 66 Cb 1.19 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3i6j h LYS 66 CO 0.62 0.15 0.00 0.27 -0.57 0.00 0.00 179.45 179.92 3i6j n ASN 67 N -4.46 0.73 0.00 0.86 6.94 -1.26 -4.90 115.26 113.16 3i6j n ASN 67 Ca 0.07 -1.37 0.00 0.00 -0.02 0.00 0.00 54.58 53.26 3i6j n ASN 67 Cb 0.36 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 3i6j n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i6j n GLY 68 N 1.02 0.68 3.77 4.83 0.00 -0.22 -5.06 105.19 110.20 3i6j n GLY 68 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3i6j n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i6j s GLN 69 N -0.76 2.33 -0.11 1.61 -0.21 -1.26 -4.77 119.66 116.49 3i6j s GLN 69 Ca 0.00 1.16 0.15 0.00 0.02 0.00 0.00 55.36 56.68 3i6j s GLN 69 Cb 0.00 -1.91 0.48 0.00 1.00 0.00 0.00 33.01 32.58 3i6j s GLN 69 CO 0.00 -1.59 1.39 0.25 -2.12 0.00 0.00 175.29 173.22 3i6j n THR 70 N -3.46 1.80 -1.29 -0.19 -2.24 -1.26 -1.30 114.28 106.35 3i6j n THR 70 Ca 0.09 -1.49 -0.15 0.00 -2.27 0.00 0.00 64.05 60.23 3i6j n THR 70 Cb 0.53 0.05 0.20 0.00 -2.10 0.00 0.00 70.33 69.01 3i6j n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i6j n ASN 71 N 0.04 3.40 -4.90 3.42 6.94 -1.26 -4.80 115.26 118.09 3i6j n ASN 71 Ca 0.18 -3.63 -0.30 0.00 -0.02 0.00 0.00 54.58 50.82 3i6j n ASN 71 Cb 0.73 -0.76 -0.04 0.00 -2.36 0.00 0.00 39.78 37.36 3i6j n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i6j s TYR 73 N -1.54 0.35 -0.17 0.00 1.51 0.23 -1.05 117.35 116.68 3i6j s TYR 73 Ca 0.34 -0.06 -0.05 0.00 -1.01 0.00 0.00 57.07 56.29 3i6j s TYR 73 Cb -0.12 -0.25 -0.03 0.00 -0.11 0.00 0.00 41.96 41.45 3i6j s TYR 73 CO 0.27 -0.02 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.54 3i6j s GLN 74 N 0.04 3.70 0.36 -0.62 0.74 0.58 -1.31 119.66 123.15 3i6j s GLN 74 Ca 0.00 -0.49 -0.28 0.00 0.05 0.00 0.00 55.36 54.63 3i6j s GLN 74 Cb -0.03 -3.01 -0.11 0.00 1.10 0.00 0.00 33.01 30.96 3i6j s GLN 74 CO -0.00 0.18 1.52 -1.13 -0.55 0.00 0.00 175.29 175.31 3i6j n SER 75 N 3.75 3.86 0.08 6.67 3.41 0.05 -2.61 113.62 128.83 3i6j n SER 75 Ca -0.17 1.21 -0.01 0.00 -0.26 0.00 0.00 58.87 59.64 3i6j n SER 75 Cb 0.52 -1.62 0.28 0.00 -0.26 0.00 0.00 64.21 63.13 3i6j n SER 75 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3i6j h TYR 76 N 3.43 0.35 -2.12 7.33 0.05 -1.95 -3.43 116.97 120.63 3i6j h TYR 76 Ca -0.50 -0.07 -0.53 0.00 0.05 0.00 0.00 58.73 57.68 3i6j h TYR 76 Cb 1.24 -0.09 -0.07 0.00 1.01 0.00 0.00 36.73 38.82 3i6j h TYR 76 CO 0.54 0.55 -0.57 -1.12 -1.05 0.00 0.00 178.16 176.51 3i6j s SER 77 N -6.85 4.93 0.59 3.88 0.01 -1.26 -5.07 113.70 109.93 3i6j s SER 77 Ca -0.06 -0.53 -0.15 0.00 1.31 0.00 0.00 55.95 56.52 3i6j s SER 77 Cb 0.14 -1.01 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 3i6j s SER 77 CO 0.76 -0.09 1.04 0.42 0.41 0.00 0.00 173.24 175.78 3i6j s THR 78 N -2.28 4.07 0.07 1.44 -4.23 -1.26 -4.43 115.64 109.03 3i6j s THR 78 Ca 0.34 0.92 0.04 0.00 -1.18 0.00 0.00 61.69 61.80 3i6j s THR 78 Cb -0.06 -3.50 -0.03 0.00 1.34 0.00 0.00 72.50 70.25 3i6j s THR 78 CO 0.22 -0.64 -0.11 -0.04 -0.54 0.00 0.00 174.62 173.52 3i6j s MET 79 N -4.27 0.74 -0.00 3.99 -1.94 0.45 -4.84 119.30 113.43 3i6j s MET 79 Ca 0.61 -0.98 -0.30 0.00 -1.71 0.00 0.00 55.69 53.31 3i6j s MET 79 Cb -0.14 -0.54 -0.05 0.00 2.01 0.00 0.00 34.83 36.11 3i6j s MET 79 CO 0.39 0.10 1.28 0.45 -0.01 0.00 0.00 175.02 177.23 3i6j s SER 80 N -1.99 6.98 0.08 3.03 0.15 -1.26 -1.32 113.70 119.38 3i6j s SER 80 Ca -0.01 1.98 0.01 0.00 0.70 0.00 0.00 55.95 58.63 3i6j s SER 80 Cb -0.07 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3i6j s SER 80 CO 0.01 -0.61 -0.06 0.27 1.20 0.00 0.00 173.24 174.04 3i6j s ILE 81 N 1.99 0.61 -0.11 6.45 -4.36 0.29 -0.26 121.20 125.81 3i6j s ILE 81 Ca 0.60 -1.77 0.01 0.00 -0.26 0.00 0.00 60.65 59.22 3i6j s ILE 81 Cb -0.28 -1.48 0.02 0.00 1.25 0.00 0.00 42.46 41.97 3i6j s ILE 81 CO 0.25 -0.80 -0.12 -0.89 0.24 0.00 0.00 174.94 173.62 3i6j s THR 82 N -3.27 1.26 -0.07 8.37 2.01 0.27 -1.07 115.64 123.15 3i6j s THR 82 Ca 0.07 -0.48 -0.18 0.00 0.31 0.00 0.00 61.69 61.41 3i6j s THR 82 Cb 0.03 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 3i6j s THR 82 CO -0.04 0.40 0.49 -0.62 -0.69 0.00 0.00 174.62 174.16 3i6j s ASP 83 N 1.22 6.78 -0.18 3.53 2.15 0.24 -0.75 116.67 129.67 3i6j s ASP 83 Ca -0.03 0.93 -0.00 0.00 0.43 0.00 0.00 52.55 53.88 3i6j s ASP 83 Cb -0.14 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 3i6j s ASP 83 CO -0.04 0.09 -0.15 0.00 -0.17 0.00 0.00 175.17 174.91 3i6j s ARG 85 N 1.10 0.46 0.46 0.00 0.52 -0.96 -0.85 118.95 119.69 3i6j s ARG 85 Ca 0.00 -0.16 -0.25 0.00 -0.52 0.00 0.00 55.73 54.81 3i6j s ARG 85 Cb -0.14 -0.47 -0.08 0.00 0.52 0.00 0.00 34.95 34.78 3i6j s ARG 85 CO -0.05 0.07 1.40 0.39 0.02 0.00 0.00 175.30 177.13 3i6j n GLU 86 N 3.16 2.13 -2.74 3.54 1.02 -0.37 -0.39 120.64 126.99 3i6j n GLU 86 Ca -0.15 0.76 -0.21 0.00 -0.02 0.00 0.00 57.16 57.54 3i6j n GLU 86 Cb 0.57 -2.59 0.06 0.00 -0.02 0.00 0.00 31.44 29.46 3i6j n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i6j s THR 87 N -1.21 2.48 0.32 2.62 -4.23 -0.55 -4.77 115.64 110.30 3i6j s THR 87 Ca 0.62 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 60.38 3i6j s THR 87 Cb -0.45 -2.73 0.26 0.00 1.34 0.00 0.00 72.50 70.92 3i6j s THR 87 CO 0.56 0.00 1.98 1.23 -0.54 0.00 0.00 174.62 177.85 3i6j h GLY 88 N -0.00 1.06 1.31 3.99 0.00 -1.95 -2.08 103.07 105.40 3i6j h GLY 88 Ca -0.38 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.54 3i6j h GLY 88 CO 0.46 0.40 0.00 1.44 0.00 0.00 0.00 176.54 178.83 3i6j n SER 89 N -4.41 0.00 -4.70 0.19 7.64 -1.26 -4.80 113.62 106.28 3i6j n SER 89 Ca 0.08 -0.27 -0.42 0.00 1.01 0.00 0.00 58.87 59.27 3i6j n SER 89 Cb 0.04 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 3i6j n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3i6j s SER 90 N -2.31 7.18 -0.25 6.43 0.15 -0.78 -4.83 113.70 119.29 3i6j s SER 90 Ca 0.23 1.75 -0.03 0.00 0.70 0.00 0.00 55.95 58.60 3i6j s SER 90 Cb 0.13 -2.56 0.14 0.00 -1.71 0.00 0.00 66.02 62.01 3i6j s SER 90 CO 0.26 -0.45 0.44 -0.75 1.20 0.00 0.00 173.24 173.94 3i6j s LYS 91 N 1.63 0.39 0.27 5.44 2.20 -1.12 -4.91 119.74 123.65 3i6j s LYS 91 Ca 0.54 0.74 -0.29 0.00 -0.36 0.00 0.00 55.97 56.59 3i6j s LYS 91 Cb -0.23 -0.10 -0.14 0.00 -1.51 0.00 0.00 37.83 35.85 3i6j s LYS 91 CO 0.24 -0.56 1.13 0.98 -0.36 0.00 0.00 175.35 176.78 3i6j n TYR 92 N 5.38 1.56 0.18 4.03 9.36 -1.26 0.43 117.16 136.84 3i6j n TYR 92 Ca -0.04 0.64 0.04 0.00 3.32 0.00 0.00 57.90 61.85 3i6j n TYR 92 Cb 0.50 -2.31 0.19 0.00 -0.63 0.00 0.00 39.34 37.09 3i6j n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3i6j n PRO 93 N 1.05 2.75 -2.97 2.98 -0.04 -1.26 -4.95 135.00 132.55 3i6j n PRO 93 Ca 0.10 -1.47 -0.37 0.00 -0.04 0.00 0.00 63.50 61.72 3i6j n PRO 93 Cb 0.31 -1.81 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 3i6j n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i6j n ASN 94 N 0.32 5.95 -4.75 3.54 5.03 0.17 -5.05 115.26 120.46 3i6j n ASN 94 Ca 0.13 -3.53 -0.37 0.00 0.87 0.00 0.00 54.58 51.67 3i6j n ASN 94 Cb 0.66 -1.04 0.03 0.00 -1.02 0.00 0.00 39.78 38.42 3i6j n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i6j s ALA 96 N -1.41 -0.30 0.03 0.00 0.00 -1.26 -4.89 121.76 113.92 3i6j s ALA 96 Ca 0.73 0.70 0.06 0.00 0.00 0.00 0.00 51.96 53.45 3i6j s ALA 96 Cb -0.36 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 3i6j s ALA 96 CO 0.42 -0.16 -0.17 0.71 0.00 0.00 0.00 175.76 176.56 3i6j s TYR 97 N 1.13 1.52 0.00 0.00 2.02 -1.26 -1.48 117.35 119.27 3i6j s TYR 97 Ca -0.09 -0.34 -0.22 0.00 -0.37 0.00 0.00 57.07 56.05 3i6j s TYR 97 Cb -0.11 -0.92 -0.05 0.00 -0.40 0.00 0.00 41.96 40.48 3i6j s TYR 97 CO -0.06 0.04 0.67 0.21 -1.57 0.00 0.00 175.55 174.84 3i6j s LYS 98 N -0.96 4.40 -0.26 -0.62 2.20 0.48 -4.62 119.74 120.35 3i6j s LYS 98 Ca 0.05 0.87 -0.09 0.00 -0.36 0.00 0.00 55.97 56.44 3i6j s LYS 98 Cb -0.08 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 3i6j s LYS 98 CO 0.01 0.29 0.12 0.99 -0.36 0.00 0.00 175.35 176.40 3i6j s THR 99 N 0.03 4.74 -0.22 3.43 2.01 -1.26 -2.25 115.64 122.11 3i6j s THR 99 Ca 0.35 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.33 3i6j s THR 99 Cb -0.19 -3.24 0.06 0.00 0.01 0.00 0.00 72.50 69.14 3i6j s THR 99 CO 0.19 0.30 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.47 3i6j s THR 100 N 1.67 1.54 0.13 -0.82 2.01 -0.41 -4.96 115.64 114.80 3i6j s THR 100 Ca 0.07 -1.16 -0.21 0.00 0.31 0.00 0.00 61.69 60.70 3i6j s THR 100 Cb -0.15 -1.76 -0.07 0.00 0.01 0.00 0.00 72.50 70.52 3i6j s THR 100 CO 0.07 -0.04 0.66 -1.58 -0.69 0.00 0.00 174.62 173.04 3i6j s GLN 101 N 1.40 4.32 0.22 4.92 2.00 -1.26 -0.59 119.66 130.67 3i6j s GLN 101 Ca -0.05 0.89 -0.17 0.00 -2.00 0.00 0.00 55.36 54.03 3i6j s GLN 101 Cb -0.18 -3.17 0.02 0.00 0.80 0.00 0.00 33.01 30.47 3i6j s GLN 101 CO -0.07 0.57 0.54 0.00 -0.50 0.00 0.00 175.29 175.83 3i6j s ALA 102 N -1.21 -0.82 -0.27 1.58 0.00 -0.23 -4.99 121.76 115.82 3i6j s ALA 102 Ca 0.34 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.95 3i6j s ALA 102 Cb -0.20 0.89 0.07 0.00 0.00 0.00 0.00 23.12 23.88 3i6j s ALA 102 CO 0.22 -0.84 -0.06 -0.80 0.00 0.00 0.00 175.76 174.27 3i6j s ASN 103 N -2.91 4.33 0.07 0.00 -0.87 -1.26 -0.55 114.94 113.76 3i6j s ASN 103 Ca 0.12 -1.48 -0.06 0.00 -1.57 0.00 0.00 52.86 49.87 3i6j s ASN 103 Cb -0.02 -1.44 -0.02 0.00 -0.02 0.00 0.00 41.25 39.76 3i6j s ASN 103 CO 0.01 -0.24 0.11 -0.54 -2.57 0.00 0.00 177.10 173.86 3i6j s LYS 104 N 1.16 0.75 0.51 -0.60 -0.14 -0.43 -4.77 119.74 116.22 3i6j s LYS 104 Ca -0.04 -1.05 -0.21 0.00 -1.36 0.00 0.00 55.97 53.31 3i6j s LYS 104 Cb -0.19 0.29 -0.06 0.00 -1.68 0.00 0.00 37.83 36.19 3i6j s LYS 104 CO -0.06 -0.21 1.16 -1.01 -0.76 0.00 0.00 175.35 174.46 3i6j s HIS 105 N -3.86 2.72 0.14 3.18 3.76 0.38 -0.41 115.29 121.20 3i6j s HIS 105 Ca 0.06 1.53 0.07 0.00 -0.15 0.00 0.00 55.06 56.57 3i6j s HIS 105 Cb 0.06 -3.35 -0.04 0.00 1.11 0.00 0.00 32.58 30.36 3i6j s HIS 105 CO -0.11 -1.63 -0.02 0.96 -0.85 0.00 0.00 174.74 173.09 3i6j s ILE 106 N -1.65 3.69 -0.13 0.60 -4.36 -1.26 -0.35 121.20 117.73 3i6j s ILE 106 Ca 0.69 -1.32 0.01 0.00 -0.26 0.00 0.00 60.65 59.77 3i6j s ILE 106 Cb -0.27 -2.81 0.02 0.00 1.25 0.00 0.00 42.46 40.65 3i6j s ILE 106 CO 0.31 -0.02 -0.14 -0.63 0.24 0.00 0.00 174.94 174.69 3i6j s ILE 107 N -1.55 1.52 0.13 8.37 1.01 0.16 -0.77 121.20 130.07 3i6j s ILE 107 Ca 0.26 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.38 3i6j s ILE 107 Cb -0.10 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3i6j s ILE 107 CO 0.17 0.45 -0.20 0.68 0.00 0.00 0.00 174.94 176.04 3i6j s VAL 108 N 1.34 1.79 -0.01 2.92 -7.23 -0.43 -0.55 120.40 118.23 3i6j s VAL 108 Ca 0.01 -1.72 -0.16 0.00 -1.81 0.00 0.00 61.98 58.31 3i6j s VAL 108 Cb -0.13 -1.71 -0.06 0.00 0.56 0.00 0.00 36.38 35.04 3i6j s VAL 108 CO -0.08 -0.16 0.43 0.00 -0.31 0.00 0.00 175.10 174.98 3i6j s ALA 109 N -1.54 3.66 0.08 1.32 0.00 -0.24 -0.60 121.76 124.43 3i6j s ALA 109 Ca 0.11 -0.20 0.10 0.00 0.00 0.00 0.00 51.96 51.97 3i6j s ALA 109 Cb -0.08 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 3i6j s ALA 109 CO 0.05 0.40 -0.26 0.00 0.00 0.00 0.00 175.76 175.96 3i6j s GLU 111 N -1.57 0.94 0.00 0.00 2.02 -0.44 -4.89 118.70 114.76 3i6j s GLU 111 Ca 0.12 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.94 3i6j s GLU 111 Cb -0.10 0.43 0.00 0.00 0.10 0.00 0.00 34.13 34.56 3i6j s GLU 111 CO 0.04 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.41 3i6j n GLY 112 N 0.69 -3.95 2.83 -1.39 0.00 -1.26 -2.18 105.19 99.93 3i6j n GLY 112 Ca -0.19 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.41 3i6j n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i6j s ASN 113 N -0.30 3.57 0.69 1.61 3.04 -1.26 -2.35 114.94 119.94 3i6j s ASN 113 Ca 0.00 -1.16 -0.15 0.00 0.04 0.00 0.00 52.86 51.59 3i6j s ASN 113 Cb 0.00 -0.93 0.02 0.00 -1.54 0.00 0.00 41.25 38.80 3i6j s ASN 113 CO 0.00 -0.30 1.14 -2.16 -3.04 0.00 0.00 177.10 172.74 3i6j s PRO 114 N 1.58 2.53 -0.66 0.43 0.04 -1.26 -5.09 135.00 132.57 3i6j s PRO 114 Ca -0.01 1.48 -0.25 0.00 0.04 0.00 0.00 61.00 62.27 3i6j s PRO 114 Cb -0.18 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.50 3i6j s PRO 114 CO -0.10 -1.48 1.09 -0.47 0.04 0.00 0.00 177.00 176.08 3i6j s TYR 115 N -2.28 2.55 0.21 0.56 5.04 -0.99 -4.87 117.35 117.57 3i6j s TYR 115 Ca 0.69 -0.20 0.04 0.00 -2.44 0.00 0.00 57.07 55.15 3i6j s TYR 115 Cb -0.23 -4.39 -0.05 0.00 0.35 0.00 0.00 41.96 37.65 3i6j s TYR 115 CO 0.44 -1.74 -0.04 0.14 -1.34 0.00 0.00 175.55 173.01 3i6j s VAL 116 N 4.69 1.12 0.26 3.14 -7.23 -0.93 -4.83 120.40 116.61 3i6j s VAL 116 Ca 0.30 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.12 3i6j s VAL 116 Cb -0.12 -2.21 -0.10 0.00 0.56 0.00 0.00 36.38 34.51 3i6j s VAL 116 CO 0.15 -0.44 1.43 -2.84 -0.31 0.00 0.00 175.10 173.09 3i6j s PRO 117 N -3.82 4.27 0.00 4.82 0.02 -1.26 -1.33 135.00 137.70 3i6j s PRO 117 Ca 0.25 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3i6j s PRO 117 Cb 0.05 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.46 3i6j s PRO 117 CO 0.07 -0.41 0.00 1.33 -0.33 0.00 0.00 177.00 177.66 3i6j n VAL 118 N 2.21 0.00 -3.84 3.83 0.24 0.62 -4.49 118.33 116.89 3i6j n VAL 118 Ca 0.06 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 3i6j n VAL 118 Cb 0.40 0.75 -0.10 0.00 -1.47 0.00 0.00 33.84 33.42 3i6j n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3i6j s HIS 119 N -0.89 -0.05 -0.36 6.34 3.76 -1.13 -4.66 115.29 118.31 3i6j s HIS 119 Ca 0.00 0.08 -0.15 0.00 -0.15 0.00 0.00 55.06 54.84 3i6j s HIS 119 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 32.58 33.69 3i6j s HIS 119 CO 0.00 -0.27 0.33 0.12 -0.85 0.00 0.00 174.74 174.07 3i6j s PHE 120 N -1.05 3.21 -0.13 1.40 2.19 -1.26 -1.08 117.98 121.26 3i6j s PHE 120 Ca -0.11 -0.16 -0.18 0.00 0.33 0.00 0.00 56.93 56.81 3i6j s PHE 120 Cb -0.06 -2.63 -0.25 0.00 -1.31 0.00 0.00 43.02 38.77 3i6j s PHE 120 CO 0.02 -0.45 0.49 0.22 1.83 0.00 0.00 175.22 177.32 3i6j h ASP 121 N 8.51 0.27 -5.58 6.13 3.58 -1.17 -3.48 116.42 124.68 3i6j h ASP 121 Ca -0.30 -0.80 0.33 0.00 0.42 0.00 0.00 57.03 56.68 3i6j h ASP 121 Cb 1.14 -0.09 -0.13 0.00 1.72 0.00 0.00 39.33 41.97 3i6j h ASP 121 CO 0.69 1.55 0.85 0.00 -2.88 0.00 0.00 179.24 179.45 3i6j s ALA 122 N -2.44 -2.25 0.17 -0.78 0.00 -1.14 -4.96 121.76 110.36 3i6j s ALA 122 Ca -0.22 0.86 0.10 0.00 0.00 0.00 0.00 51.96 52.70 3i6j s ALA 122 Cb 0.04 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 3i6j s ALA 122 CO 0.72 -0.99 -0.19 -1.54 0.00 0.00 0.00 175.76 173.76 3i6j s SER 123 N -2.87 3.73 0.00 0.00 1.04 -1.26 -0.67 113.70 113.67 3i6j s SER 123 Ca 0.14 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.85 3i6j s SER 123 Cb 0.04 -0.43 0.00 0.00 0.10 0.00 0.00 66.02 65.73 3i6j s SER 123 CO -0.04 0.13 0.21 1.33 0.98 0.00 0.00 173.24 175.85