#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qll h LEU 2 N 0.00 0.36 -0.39 1.04 3.38 -1.36 -1.69 115.31 116.66 1qll h LEU 2 Ca 0.00 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1qll h LEU 2 Cb 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1qll h LEU 2 CO 0.00 0.07 0.05 -0.26 0.09 0.00 0.00 178.44 178.39 1qll h PHE 3 N 0.32 0.69 -0.27 1.13 0.04 -1.95 -0.71 116.94 116.20 1qll h PHE 3 Ca 0.58 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 61.19 1qll h PHE 3 Cb 1.61 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.57 1qll h PHE 3 CO -0.00 0.70 -0.05 0.93 -0.60 0.00 0.00 178.31 179.29 1qll h GLU 4 N 0.49 0.51 -0.29 1.51 3.07 -1.72 -2.14 114.58 116.01 1qll h GLU 4 Ca 0.12 -0.18 0.06 0.00 -0.50 0.00 0.00 59.36 58.85 1qll h GLU 4 Cb 0.39 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.21 1qll h GLU 4 CO 0.01 0.70 -0.08 1.25 -1.40 0.00 0.00 179.01 179.49 1qll h LEU 5 N 0.27 -0.29 -0.61 1.33 5.85 -1.37 -0.87 115.31 119.61 1qll h LEU 5 Ca 0.07 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1qll h LEU 5 Cb 0.50 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1qll h LEU 5 CO 0.02 -0.11 0.27 1.23 -0.34 0.00 0.00 178.44 179.52 1qll h GLY 6 N -0.01 0.95 1.02 3.75 0.00 -1.09 -2.19 103.07 105.50 1qll h GLY 6 Ca 0.14 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1qll h GLY 6 CO -0.30 0.47 0.33 1.70 0.00 0.00 0.00 176.54 178.73 1qll h LYS 7 N 0.84 1.07 -0.89 4.80 3.64 -0.84 -0.25 116.57 124.93 1qll h LYS 7 Ca 0.21 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1qll h LYS 7 Cb 0.15 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 1qll h LYS 7 CO -0.02 0.86 0.58 0.52 -2.27 0.00 0.00 179.45 179.12 1qll h MET 8 N 1.04 1.10 -0.45 1.90 2.86 -0.91 0.73 114.93 121.20 1qll h MET 8 Ca 0.25 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.69 1qll h MET 8 Cb 0.16 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1qll h MET 8 CO -0.03 0.73 -0.23 0.82 1.06 0.00 0.00 176.91 179.26 1qll h ILE 9 N 1.13 1.27 -0.47 -1.22 2.04 -0.93 -0.38 117.51 118.95 1qll h ILE 9 Ca 0.35 -1.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 1qll h ILE 9 Cb -0.01 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1qll h ILE 9 CO -0.11 0.47 0.14 0.25 0.00 0.00 0.00 178.15 178.90 1qll h LEU 10 N 0.79 0.69 -0.57 1.44 6.46 -0.68 0.35 115.31 123.78 1qll h LEU 10 Ca 0.10 -0.21 -0.05 0.00 -0.12 0.00 0.00 57.88 57.59 1qll h LEU 10 Cb 0.81 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 1qll h LEU 10 CO 0.07 0.72 0.15 1.56 -0.62 0.00 0.00 178.44 180.32 1qll h GLN 11 N 0.62 0.90 0.23 1.25 4.20 -0.37 0.12 115.11 122.06 1qll h GLN 11 Ca 0.15 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1qll h GLN 11 Cb 0.28 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1qll h GLN 11 CO -0.00 0.83 -0.11 0.93 -0.67 0.00 0.00 178.83 179.81 1qll h GLU 12 N 0.81 -0.29 0.00 1.46 4.39 -0.95 -3.37 114.58 116.63 1qll h GLU 12 Ca 0.18 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.81 1qll h GLU 12 Cb 0.33 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1qll h GLU 12 CO -0.00 0.07 -0.53 1.79 -1.16 0.00 0.00 179.01 179.18 1qll h THR 13 N -0.90 0.61 0.00 1.13 1.35 -1.01 -3.48 112.91 110.62 1qll h THR 13 Ca -0.03 -1.90 0.00 0.00 -0.55 0.00 0.00 66.41 63.93 1qll h THR 13 Cb 0.50 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1qll h THR 13 CO 0.05 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 1qll n GLY 14 N 1.22 0.76 3.67 5.82 0.00 0.41 -5.03 105.19 112.03 1qll n GLY 14 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1qll n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qll s LYS 15 N -0.04 2.54 -0.07 1.61 -0.14 -1.26 -5.04 119.74 117.34 1qll s LYS 15 Ca 0.00 -0.81 -0.29 0.00 -1.36 0.00 0.00 55.97 53.51 1qll s LYS 15 Cb 0.00 -2.53 -0.06 0.00 -1.68 0.00 0.00 37.83 33.56 1qll s LYS 15 CO 0.00 0.56 1.79 1.21 -0.76 0.00 0.00 175.35 178.15 1qll s ASN 16 N -2.08 6.43 0.16 2.83 3.84 -1.26 -4.19 114.94 120.67 1qll s ASN 16 Ca 0.23 2.21 -0.09 0.00 0.21 0.00 0.00 52.86 55.43 1qll s ASN 16 Cb -0.12 -2.53 0.03 0.00 -0.55 0.00 0.00 41.25 38.08 1qll s ASN 16 CO 0.15 -1.13 1.52 1.55 -2.79 0.00 0.00 177.10 176.41 1qll h PRO 17 N 10.60 0.89 -0.14 0.43 0.13 -1.93 -1.78 132.00 140.21 1qll h PRO 17 Ca -0.41 -0.44 -0.00 0.00 -0.87 0.00 0.00 66.00 64.28 1qll h PRO 17 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1qll h PRO 17 CO 0.96 1.09 0.08 0.00 -0.23 0.00 0.00 178.00 179.89 1qll h ALA 18 N 0.87 0.18 -0.06 -0.56 0.00 -1.93 0.43 119.26 118.18 1qll h ALA 18 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1qll h ALA 18 Cb 0.91 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1qll h ALA 18 CO 0.08 -0.30 -0.05 -0.22 0.00 0.00 0.00 179.25 178.76 1qll h LYS 19 N 0.14 0.14 0.01 0.00 3.64 -1.97 0.08 116.57 118.60 1qll h LYS 19 Ca 0.05 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.16 1qll h LYS 19 Cb 0.05 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1qll h LYS 19 CO -0.01 0.57 -0.87 0.77 -2.27 0.00 0.00 179.45 177.64 1qll h SER 20 N -0.29 0.18 0.00 4.20 0.02 -1.29 -3.39 113.55 112.98 1qll h SER 20 Ca 0.01 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1qll h SER 20 Cb 0.55 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1qll h SER 20 CO 0.01 0.96 0.00 -1.22 -1.14 0.00 0.00 176.83 175.45 1qll n TYR 21 N -3.62 0.00 0.30 3.45 4.01 0.08 -4.61 117.16 116.78 1qll n TYR 21 Ca -0.03 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.88 1qll n TYR 21 Cb 0.81 0.00 0.79 0.00 -0.31 0.00 0.00 39.34 40.63 1qll n TYR 21 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1qll h GLY 22 N 0.00 0.00 -1.85 2.72 0.00 -0.34 -3.20 103.07 100.41 1qll h GLY 22 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1qll h GLY 22 CO 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 176.54 175.83 1qll n ALA 23 N -1.97 2.18 -2.18 3.60 0.00 -1.25 -2.45 120.51 118.43 1qll n ALA 23 Ca -0.01 -1.54 -0.42 0.00 0.00 0.00 0.00 53.44 51.48 1qll n ALA 23 Cb 0.17 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 1qll n ALA 23 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1qll s TYR 24 N 0.00 3.32 0.00 0.00 6.14 -1.15 -2.15 117.35 123.52 1qll s TYR 24 Ca 0.14 1.16 0.00 0.00 0.64 0.00 0.00 57.07 59.01 1qll s TYR 24 Cb 0.16 -3.57 0.00 0.00 0.42 0.00 0.00 41.96 38.98 1qll s TYR 24 CO -0.07 -1.84 0.00 0.41 0.64 0.00 0.00 175.55 174.69 1qll n GLY 25 N 3.00 0.95 0.12 8.97 0.00 -0.41 -2.05 105.19 115.77 1qll n GLY 25 Ca 0.09 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.62 1qll n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qll n ASN 27 N -1.10 1.54 -4.73 0.00 3.02 -1.23 -2.86 115.26 109.90 1qll n ASN 27 Ca 0.08 -0.05 -0.40 0.00 -0.03 0.00 0.00 54.58 54.18 1qll n ASN 27 Cb 0.35 0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 39.89 1qll n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qll n GLY 29 N 2.73 0.65 3.72 0.00 0.00 -1.21 -3.04 105.19 108.03 1qll n GLY 29 Ca 0.00 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 1qll n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qll s VAL 30 N 0.00 2.49 0.01 1.61 -7.23 -1.03 -4.86 120.40 111.39 1qll s VAL 30 Ca 0.00 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.37 1qll s VAL 30 Cb 0.00 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1qll s VAL 30 CO 0.00 -0.17 0.00 0.18 -0.31 0.00 0.00 175.10 174.80 1qll n LEU 31 N -3.27 0.00 0.00 1.32 4.77 -1.26 -4.93 117.00 113.64 1qll n LEU 31 Ca 0.12 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1qll n LEU 31 Cb 0.51 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1qll n LEU 31 CO 0.49 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1qll n GLY 32 N -0.20 1.51 3.90 -0.72 0.00 -1.26 -5.04 105.19 103.37 1qll n GLY 32 Ca 0.00 -1.37 -0.20 0.00 0.00 0.00 0.00 46.02 44.45 1qll n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qll s ARG 33 N 3.88 2.88 0.40 1.61 0.52 -1.26 -4.44 118.95 122.54 1qll s ARG 33 Ca 0.00 -1.19 -0.15 0.00 -0.52 0.00 0.00 55.73 53.88 1qll s ARG 33 Cb 0.00 -2.60 0.06 0.00 0.52 0.00 0.00 34.95 32.93 1qll s ARG 33 CO 0.00 0.09 0.79 0.20 0.02 0.00 0.00 175.30 176.41 1qll s GLY 34 N -4.05 0.44 0.13 -3.53 0.00 -1.14 -4.43 107.32 94.74 1qll s GLY 34 Ca 0.42 -0.82 -0.32 0.00 0.00 0.00 0.00 44.72 44.00 1qll s GLY 34 CO 0.28 -0.35 1.78 1.17 0.00 0.00 0.00 173.10 175.98 1qll n LYS 35 N -0.54 2.64 -1.93 2.90 4.81 -0.54 -4.61 118.16 120.90 1qll n LYS 35 Ca -0.09 0.96 -0.39 0.00 -0.87 0.00 0.00 58.31 57.92 1qll n LYS 35 Cb 0.60 -2.82 0.01 0.00 0.02 0.00 0.00 35.03 32.84 1qll n LYS 35 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1qll s PRO 36 N 2.26 3.73 0.00 1.64 0.02 -1.26 -4.64 135.00 136.75 1qll s PRO 36 Ca 0.81 2.25 0.08 0.00 0.02 0.00 0.00 61.00 64.15 1qll s PRO 36 Cb -0.53 -2.63 -0.23 0.00 0.02 0.00 0.00 34.50 31.13 1qll s PRO 36 CO 0.38 -0.72 0.84 0.87 -0.33 0.00 0.00 177.00 178.04 1qll h LYS 37 N 2.33 0.05 0.00 5.54 1.79 -1.91 -3.48 116.57 120.90 1qll h LYS 37 Ca -0.50 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 57.88 1qll h LYS 37 Cb 1.26 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1qll h LYS 37 CO 0.61 0.76 0.05 -0.40 -1.08 0.00 0.00 179.45 179.39 1qll n ASP 38 N -3.21 -0.35 -0.00 0.86 5.75 -1.26 -5.01 116.55 113.33 1qll n ASP 38 Ca -0.13 -1.23 -0.11 0.00 -0.01 0.00 0.00 54.79 53.31 1qll n ASP 38 Cb 1.02 0.57 0.02 0.00 -1.03 0.00 0.00 41.12 41.70 1qll n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qll h ALA 39 N 2.00 0.58 -0.35 2.12 0.00 -1.94 -0.36 119.26 121.31 1qll h ALA 39 Ca -0.05 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.37 1qll h ALA 39 Cb 0.19 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1qll h ALA 39 CO 0.07 0.70 0.06 1.15 0.00 0.00 0.00 179.25 181.22 1qll h THR 40 N 0.45 0.81 -0.66 0.00 2.02 -1.92 0.09 112.91 113.71 1qll h THR 40 Ca -0.01 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 1qll h THR 40 Cb 1.19 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1qll h THR 40 CO 0.12 0.03 0.24 -0.78 0.37 0.00 0.00 175.52 175.50 1qll h ASP 41 N 0.17 0.91 -0.28 4.18 3.58 -1.87 -2.08 116.42 121.03 1qll h ASP 41 Ca 0.17 -0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 1qll h ASP 41 Cb 0.20 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1qll h ASP 41 CO -0.23 0.83 -0.02 -0.09 -2.88 0.00 0.00 179.24 176.85 1qll h ARG 42 N 0.96 0.63 -0.68 0.28 2.43 -0.36 -0.91 114.38 116.73 1qll h ARG 42 Ca 0.22 -0.15 0.09 0.00 -0.81 0.00 0.00 59.98 59.33 1qll h ARG 42 Cb 0.22 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 1qll h ARG 42 CO -0.01 0.66 0.32 0.00 -1.51 0.00 0.00 179.97 179.43 1qll h TYR 45 N 0.00 0.30 -0.65 0.00 5.03 -0.30 -1.57 116.97 119.79 1qll h TYR 45 Ca -0.00 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.25 1qll h TYR 45 Cb 0.92 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 39.08 1qll h TYR 45 CO 0.00 0.36 0.28 0.28 -1.32 0.00 0.00 178.16 177.76 1qll h VAL 46 N 0.15 1.23 -0.06 1.81 2.07 -0.84 -2.27 116.25 118.35 1qll h VAL 46 Ca 0.06 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1qll h VAL 46 Cb 0.19 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1qll h VAL 46 CO -0.00 0.28 -0.10 -0.74 0.02 0.00 0.00 177.57 177.03 1qll h HIS 47 N 0.91 -0.24 -0.46 1.57 -0.00 -1.17 0.49 115.15 116.24 1qll h HIS 47 Ca 0.22 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.54 1qll h HIS 47 Cb 0.18 0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 1qll h HIS 47 CO 0.01 -0.15 0.04 0.87 -0.00 0.00 0.00 177.93 178.71 1qll h LYS 48 N -0.14 0.72 -0.21 5.26 1.57 -1.09 -0.66 116.57 122.02 1qll h LYS 48 Ca 0.06 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1qll h LYS 48 Cb 0.22 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1qll h LYS 48 CO -0.14 0.70 -0.13 0.00 -0.57 0.00 0.00 179.45 179.31 1qll h TYR 51 N 1.20 0.00 0.00 0.00 -1.99 -0.64 -3.05 116.97 112.49 1qll h TYR 51 Ca 0.30 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.02 1qll h TYR 51 Cb 0.04 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.77 1qll h TYR 51 CO 0.01 0.26 -0.06 0.87 -0.00 0.00 0.00 178.16 179.24 1qll h LYS 52 N 0.00 0.00 0.00 4.88 1.57 -1.14 -2.03 116.57 119.85 1qll h LYS 52 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1qll h LYS 52 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1qll h LYS 52 CO 0.03 0.06 -0.03 0.87 -0.57 0.00 0.00 179.45 179.81 1qll h LYS 53 N 0.00 0.00 -5.32 3.15 6.56 -1.64 -3.41 116.57 115.91 1qll h LYS 53 Ca -0.00 0.00 -0.70 0.00 -1.06 0.00 0.00 60.65 58.89 1qll h LYS 53 Cb 0.13 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 31.68 1qll h LYS 53 CO 0.01 0.03 2.00 1.28 -2.06 0.00 0.00 179.45 180.71 1qll n LEU 54 N -3.13 5.20 -0.15 2.94 4.77 -0.76 -4.78 117.00 121.09 1qll n LEU 54 Ca 0.01 -4.12 0.12 0.00 -0.03 0.00 0.00 56.01 51.98 1qll n LEU 54 Cb 0.37 -1.70 0.16 0.00 -2.33 0.00 0.00 43.42 39.92 1qll n LEU 54 CO 0.29 0.43 0.37 0.35 -1.33 0.00 0.00 177.39 177.50 1qll n THR 55 N 5.66 0.00 1.04 -5.08 -2.24 -1.26 -4.24 114.28 108.16 1qll n THR 55 Ca 0.45 -0.08 0.10 0.00 -2.27 0.00 0.00 64.05 62.25 1qll n THR 55 Cb 0.44 0.63 0.32 0.00 -2.10 0.00 0.00 70.33 69.62 1qll n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qll n GLY 56 N 1.44 0.56 3.58 3.38 0.00 -1.26 -4.95 105.19 107.94 1qll n GLY 56 Ca 0.08 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 1qll n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qll s ASN 58 N -3.04 5.19 0.37 0.00 3.84 -1.26 -4.98 114.94 115.06 1qll s ASN 58 Ca 0.23 -1.33 0.04 0.00 0.21 0.00 0.00 52.86 52.01 1qll s ASN 58 Cb -0.01 -1.82 0.70 0.00 -0.55 0.00 0.00 41.25 39.58 1qll s ASN 58 CO 0.10 -0.35 2.02 -0.65 -2.79 0.00 0.00 177.10 175.43 1qll h PRO 59 N 8.14 0.74 -0.09 0.43 0.11 -1.92 0.36 132.00 139.77 1qll h PRO 59 Ca -0.21 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.70 1qll h PRO 59 Cb 1.07 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 32.02 1qll h PRO 59 CO 0.60 0.49 -0.56 0.87 -0.21 0.00 0.00 178.00 179.20 1qll h LYS 60 N 0.76 0.53 0.00 1.05 1.57 -1.93 -3.30 116.57 115.24 1qll h LYS 60 Ca 0.20 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1qll h LYS 60 Cb -0.08 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1qll h LYS 60 CO -0.04 1.08 -1.48 1.63 -0.57 0.00 0.00 179.45 180.07 1qll n LYS 61 N -4.20 0.39 -2.41 3.15 4.76 -1.12 -1.38 118.16 117.35 1qll n LYS 61 Ca -0.08 -0.09 -0.42 0.00 -2.87 0.00 0.00 58.31 54.84 1qll n LYS 61 Cb 0.63 -1.25 -0.03 0.00 -1.84 0.00 0.00 35.03 32.55 1qll n LYS 61 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1qll s ASP 62 N -3.24 7.03 0.63 4.39 1.01 0.10 -4.72 116.67 121.87 1qll s ASP 62 Ca -0.04 1.92 -0.11 0.00 0.71 0.00 0.00 52.55 55.03 1qll s ASP 62 Cb 0.07 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 1qll s ASP 62 CO 0.43 -0.57 1.04 -0.13 0.21 0.00 0.00 175.17 176.15 1qll s ARG 63 N 1.90 3.47 0.24 8.23 1.81 -1.26 0.17 118.95 133.51 1qll s ARG 63 Ca 0.58 0.80 -0.14 0.00 -1.72 0.00 0.00 55.73 55.24 1qll s ARG 63 Cb -0.27 -2.06 0.00 0.00 -0.45 0.00 0.00 34.95 32.17 1qll s ARG 63 CO 0.25 -0.68 0.50 1.52 -0.68 0.00 0.00 175.30 176.21 1qll s TYR 64 N -3.14 0.24 0.18 -0.53 -0.85 -1.26 -4.80 117.35 107.19 1qll s TYR 64 Ca 0.56 -0.61 0.07 0.00 -0.52 0.00 0.00 57.07 56.57 1qll s TYR 64 Cb -0.12 0.26 -0.04 0.00 0.38 0.00 0.00 41.96 42.44 1qll s TYR 64 CO 0.54 -0.99 0.03 -1.54 -1.52 0.00 0.00 175.55 172.07 1qll s SER 65 N -2.99 4.92 0.20 -0.18 1.04 -1.26 -4.95 113.70 110.47 1qll s SER 65 Ca 0.19 -0.36 -0.23 0.00 0.48 0.00 0.00 55.95 56.03 1qll s SER 65 Cb -0.01 -1.09 0.05 0.00 0.10 0.00 0.00 66.02 65.07 1qll s SER 65 CO 0.07 0.07 0.68 -0.72 0.98 0.00 0.00 173.24 174.33 1qll s TYR 66 N -1.79 -0.37 0.09 5.02 -0.85 -1.26 -1.10 117.35 117.09 1qll s TYR 66 Ca 0.29 0.06 0.02 0.00 -0.52 0.00 0.00 57.07 56.91 1qll s TYR 66 Cb -0.09 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 1qll s TYR 66 CO 0.20 -0.99 -0.06 -1.54 -1.52 0.00 0.00 175.55 171.64 1qll s SER 67 N -2.81 1.09 -0.51 -0.18 1.04 -0.53 -4.89 113.70 106.90 1qll s SER 67 Ca 0.06 -0.98 -0.13 0.00 0.48 0.00 0.00 55.95 55.37 1qll s SER 67 Cb -0.03 0.10 0.13 0.00 0.10 0.00 0.00 66.02 66.31 1qll s SER 67 CO -0.04 -0.46 0.44 0.86 0.98 0.00 0.00 173.24 175.02 1qll s TRP 68 N -3.52 3.32 -0.21 5.02 -0.11 -1.26 -0.97 118.94 121.21 1qll s TRP 68 Ca 0.10 -1.52 0.02 0.00 1.22 0.00 0.00 56.10 55.92 1qll s TRP 68 Cb 0.05 -3.68 0.04 0.00 -1.50 0.00 0.00 33.47 28.37 1qll s TRP 68 CO -0.05 -1.01 -0.14 0.21 -4.62 0.00 0.00 176.95 171.34 1qll s LYS 69 N 1.50 2.48 -1.35 5.86 2.20 -0.61 -4.68 119.74 125.15 1qll s LYS 69 Ca 0.04 -1.02 -0.15 0.00 -0.36 0.00 0.00 55.97 54.48 1qll s LYS 69 Cb -0.28 -2.65 0.01 0.00 -1.51 0.00 0.00 37.83 33.40 1qll s LYS 69 CO 0.01 -0.39 0.44 -0.25 -0.36 0.00 0.00 175.35 174.80 1qll n ASP 70 N 4.57 -1.95 -3.83 1.43 8.00 -1.26 -2.02 116.55 121.48 1qll n ASP 70 Ca -0.17 -1.19 -0.26 0.00 0.71 0.00 0.00 54.79 53.88 1qll n ASP 70 Cb 0.46 -2.19 0.02 0.00 -0.02 0.00 0.00 41.12 39.39 1qll n ASP 70 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qll n LYS 71 N -4.65 -5.05 -3.84 -1.24 5.02 -1.26 -4.99 118.16 102.15 1qll n LYS 71 Ca -0.22 0.59 -0.12 0.00 -2.02 0.00 0.00 58.31 56.54 1qll n LYS 71 Cb 0.63 -5.27 -0.12 0.00 -0.02 0.00 0.00 35.03 30.26 1qll n LYS 71 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1qll s THR 72 N -3.51 0.03 -0.16 -0.18 -1.32 -0.86 -5.09 115.64 104.56 1qll s THR 72 Ca 0.33 -0.25 -0.29 0.00 -1.21 0.00 0.00 61.69 60.27 1qll s THR 72 Cb -0.17 -0.30 -0.01 0.00 -1.51 0.00 0.00 72.50 70.52 1qll s THR 72 CO 0.83 -0.14 1.09 -0.63 -2.21 0.00 0.00 174.62 173.57 1qll s ILE 73 N -0.43 4.58 -0.24 5.08 1.01 -1.26 -1.57 121.20 128.37 1qll s ILE 73 Ca -0.05 1.89 0.02 0.00 0.00 0.00 0.00 60.65 62.51 1qll s ILE 73 Cb -0.03 -4.22 0.05 0.00 0.01 0.00 0.00 42.46 38.27 1qll s ILE 73 CO 0.01 -0.09 -0.12 0.54 0.00 0.00 0.00 174.94 175.28 1qll s VAL 74 N 2.77 2.00 0.09 2.92 0.11 -0.14 -4.99 120.40 123.15 1qll s VAL 74 Ca 0.49 -1.39 -0.31 0.00 -2.93 0.00 0.00 61.98 57.84 1qll s VAL 74 Cb -0.18 -2.08 -0.09 0.00 -1.53 0.00 0.00 36.38 32.50 1qll s VAL 74 CO 0.13 0.08 1.65 0.00 -3.33 0.00 0.00 175.10 173.63 1qll s GLY 76 N 2.22 1.59 0.04 0.00 0.00 -0.26 -4.95 107.32 105.96 1qll s GLY 76 Ca 0.74 -0.64 -0.17 0.00 0.00 0.00 0.00 44.72 44.65 1qll s GLY 76 CO 0.32 0.03 1.26 1.05 0.00 0.00 0.00 173.10 175.76 1qll h GLU 77 N -1.90 -0.44 0.00 2.90 9.09 -1.95 -3.46 114.58 118.82 1qll h GLU 77 Ca -0.50 0.03 0.02 0.00 0.05 0.00 0.00 59.36 58.96 1qll h GLU 77 Cb 1.32 0.10 -0.00 0.00 -1.65 0.00 0.00 28.75 28.51 1qll h GLU 77 CO 0.52 -0.29 -0.02 0.09 0.05 0.00 0.00 179.01 179.35 1qll n ASN 78 N -3.78 -1.69 -4.85 3.06 3.02 -1.26 -4.64 115.26 105.13 1qll n ASN 78 Ca -0.05 0.07 -0.24 0.00 -0.03 0.00 0.00 54.58 54.33 1qll n ASN 78 Cb 0.21 -0.27 0.07 0.00 -0.61 0.00 0.00 39.78 39.18 1qll n ASN 78 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1qll s ASN 79 N -3.76 4.80 0.16 6.41 2.20 -1.26 -4.85 114.94 118.64 1qll s ASN 79 Ca 0.00 0.11 -0.24 0.00 -0.94 0.00 0.00 52.86 51.79 1qll s ASN 79 Cb 0.00 -0.76 0.04 0.00 -2.00 0.00 0.00 41.25 38.53 1qll s ASN 79 CO 0.00 -1.54 1.59 -0.65 -2.94 0.00 0.00 177.10 173.56 1qll h PRO 80 N -0.39 -0.27 -0.44 3.55 0.11 -2.00 -1.36 132.00 131.20 1qll h PRO 80 Ca -0.42 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 1qll h PRO 80 Cb 1.30 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 1qll h PRO 80 CO 0.52 -0.18 0.10 0.00 -0.21 0.00 0.00 178.00 178.24 1qll h LEU 82 N 0.57 0.00 -0.15 0.00 3.38 -1.89 -1.64 115.31 115.58 1qll h LEU 82 Ca 0.14 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 1qll h LEU 82 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1qll h LEU 82 CO 0.00 0.19 -0.36 0.50 0.09 0.00 0.00 178.44 178.87 1qll h LYS 83 N 0.00 0.51 -0.37 1.13 1.63 -1.01 -1.37 116.57 117.09 1qll h LYS 83 Ca -0.00 -0.35 -0.11 0.00 -0.85 0.00 0.00 60.65 59.34 1qll h LYS 83 Cb 0.48 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 1qll h LYS 83 CO 0.03 0.96 -0.20 0.93 -3.45 0.00 0.00 179.45 177.71 1qll h GLU 84 N 0.14 0.72 -0.18 1.90 4.39 -1.33 -1.24 114.58 118.98 1qll h GLU 84 Ca -0.00 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.42 1qll h GLU 84 Cb 0.96 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1qll h GLU 84 CO 0.08 0.87 0.11 1.25 -1.16 0.00 0.00 179.01 180.15 1qll h LEU 85 N 0.63 0.22 -0.60 1.33 5.85 -1.25 0.04 115.31 121.54 1qll h LEU 85 Ca 0.09 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1qll h LEU 85 Cb 0.69 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1qll h LEU 85 CO 0.05 0.21 0.32 0.00 -0.34 0.00 0.00 178.44 178.68 1qll h GLU 87 N 0.81 0.91 -0.45 0.00 4.39 -0.99 0.83 114.58 120.08 1qll h GLU 87 Ca 0.21 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.78 1qll h GLU 87 Cb 0.06 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 1qll h GLU 87 CO -0.03 0.77 0.23 0.00 -1.16 0.00 0.00 179.01 178.82 1qll h ASP 89 N 0.46 1.05 -0.44 0.00 3.32 -1.05 -2.39 116.42 117.36 1qll h ASP 89 Ca 0.19 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1qll h ASP 89 Cb 0.09 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1qll h ASP 89 CO -0.13 1.07 0.12 0.50 -1.72 0.00 0.00 179.24 179.09 1qll h LYS 90 N 0.99 0.70 -0.57 3.56 3.64 -0.63 -2.30 116.57 121.96 1qll h LYS 90 Ca 0.18 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1qll h LYS 90 Cb 0.51 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1qll h LYS 90 CO 0.02 0.69 0.08 0.00 -2.27 0.00 0.00 179.45 177.97 1qll h ALA 91 N 0.98 1.07 -0.46 5.00 0.00 -1.25 -2.13 119.26 122.47 1qll h ALA 91 Ca 0.14 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1qll h ALA 91 Cb 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1qll h ALA 91 CO -0.00 0.60 -0.07 -0.24 0.00 0.00 0.00 179.25 179.54 1qll h VAL 92 N 0.87 1.25 -0.68 0.00 3.04 -1.34 -0.01 116.25 119.38 1qll h VAL 92 Ca 0.18 -1.12 -0.04 0.00 -1.01 0.00 0.00 66.70 64.71 1qll h VAL 92 Cb 0.40 0.98 -0.03 0.00 -2.01 0.00 0.00 31.29 30.63 1qll h VAL 92 CO 0.01 0.39 0.28 0.00 -1.01 0.00 0.00 177.57 177.24 1qll h ALA 93 N 1.18 0.89 -0.06 3.17 0.00 -1.06 0.20 119.26 123.58 1qll h ALA 93 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1qll h ALA 93 Cb 0.55 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1qll h ALA 93 CO 0.03 0.50 0.01 0.82 0.00 0.00 0.00 179.25 180.61 1qll h ILE 94 N 0.97 1.22 -0.54 0.00 2.04 -1.26 -1.82 117.51 118.12 1qll h ILE 94 Ca 0.23 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 65.49 1qll h ILE 94 Cb 0.19 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1qll h ILE 94 CO -0.02 0.18 0.24 0.00 0.00 0.00 0.00 178.15 178.55 1qll h LEU 96 N 0.46 0.97 -0.56 0.00 3.38 -0.58 -1.73 115.31 117.25 1qll h LEU 96 Ca 0.25 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 1qll h LEU 96 Cb 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1qll h LEU 96 CO -0.21 0.72 -0.35 -0.09 0.09 0.00 0.00 178.44 178.60 1qll h ARG 97 N 1.14 0.78 -0.24 1.13 2.43 -0.70 -3.03 114.38 115.88 1qll h ARG 97 Ca 0.30 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1qll h ARG 97 Cb -0.10 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1qll h ARG 97 CO -0.06 1.00 0.09 0.93 -1.51 0.00 0.00 179.97 180.42 1qll h GLU 98 N 0.65 0.32 -0.53 0.20 5.08 -0.44 -2.96 114.58 116.90 1qll h GLU 98 Ca 0.06 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1qll h GLU 98 Cb 0.89 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1qll h GLU 98 CO 0.08 0.28 0.06 0.09 -1.00 0.00 0.00 179.01 178.52 1qll n ASN 99 N -4.43 5.01 0.23 1.42 3.02 -0.72 -4.49 115.26 115.30 1qll n ASN 99 Ca 0.00 -3.05 0.08 0.00 -0.03 0.00 0.00 54.58 51.58 1qll n ASN 99 Cb 0.13 -0.67 0.57 0.00 -0.61 0.00 0.00 39.78 39.20 1qll n ASN 99 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1qll h LEU 100 N 3.08 0.00 -1.86 3.41 3.38 -1.43 -2.55 115.31 119.34 1qll h LEU 100 Ca 0.07 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1qll h LEU 100 Cb 1.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 1qll h LEU 100 CO 0.48 0.18 0.16 1.23 0.09 0.00 0.00 178.44 180.58 1qll h GLY 101 N 0.70 0.21 -1.66 0.83 0.00 -1.85 -2.29 103.07 99.01 1qll h GLY 101 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1qll h GLY 101 CO 0.02 0.07 0.00 -1.30 0.00 0.00 0.00 176.54 175.33 1qll n THR 102 N -4.50 0.82 -1.67 4.70 -2.24 -0.97 -5.02 114.28 105.40 1qll n THR 102 Ca 0.01 -0.91 -0.46 0.00 -2.27 0.00 0.00 64.05 60.42 1qll n THR 102 Cb 0.17 0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 69.01 1qll n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qll n TYR 103 N 0.89 2.29 -3.98 4.78 9.36 -0.86 -4.93 117.16 124.71 1qll n TYR 103 Ca 0.15 0.24 -0.34 0.00 3.32 0.00 0.00 57.90 61.27 1qll n TYR 103 Cb 0.47 -2.55 -0.15 0.00 -0.63 0.00 0.00 39.34 36.48 1qll n TYR 103 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1qll s ASN 104 N 1.13 4.02 0.58 2.98 3.04 -1.26 -5.00 114.94 120.43 1qll s ASN 104 Ca 0.80 -0.65 0.28 0.00 0.04 0.00 0.00 52.86 53.33 1qll s ASN 104 Cb -0.68 -1.65 1.66 0.00 -1.54 0.00 0.00 41.25 39.05 1qll s ASN 104 CO 0.39 -0.06 2.14 0.11 -3.04 0.00 0.00 177.10 176.64 1qll h LYS 105 N 8.03 0.00 0.00 0.43 1.57 -2.00 -1.21 116.57 123.39 1qll h LYS 105 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1qll h LYS 105 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1qll h LYS 105 CO 0.60 0.00 0.00 1.57 -0.57 0.00 0.00 179.45 181.05 1qll h LYS 106 N 0.00 0.00 -0.02 3.15 2.10 -2.02 -1.69 116.57 118.09 1qll h LYS 106 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1qll h LYS 106 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1qll h LYS 106 CO -0.00 0.00 -0.03 0.66 -2.00 0.00 0.00 179.45 178.08 1qll n TYR 107 N -2.71 0.00 -0.19 0.07 4.01 -0.46 -4.64 117.16 113.24 1qll n TYR 107 Ca -0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1qll n TYR 107 Cb 0.14 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.26 1qll n TYR 107 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1qll h ARG 108 N 3.81 0.24 -2.39 -0.72 2.43 -1.37 -1.04 114.38 115.34 1qll h ARG 108 Ca 0.00 -0.01 -0.67 0.00 -0.81 0.00 0.00 59.98 58.49 1qll h ARG 108 Cb 0.82 -0.05 -0.37 0.00 -0.42 0.00 0.00 29.97 29.95 1qll h ARG 108 CO 0.00 0.16 -0.13 0.66 -1.51 0.00 0.00 179.97 179.15 1qll n TYR 109 N -5.13 3.31 -2.37 2.20 4.01 -1.26 -2.91 117.16 115.02 1qll n TYR 109 Ca 0.08 -3.61 -0.38 0.00 -0.16 0.00 0.00 57.90 53.83 1qll n TYR 109 Cb 0.30 -0.77 -0.03 0.00 -0.31 0.00 0.00 39.34 38.54 1qll n TYR 109 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1qll s HIS 110 N -2.90 3.18 -0.84 -0.72 2.46 -0.91 -4.95 115.29 110.61 1qll s HIS 110 Ca 0.39 1.59 -0.23 0.00 0.47 0.00 0.00 55.06 57.28 1qll s HIS 110 Cb 0.15 -3.33 0.06 0.00 -0.13 0.00 0.00 32.58 29.34 1qll s HIS 110 CO -0.01 -1.08 1.23 -0.51 -2.47 0.00 0.00 174.74 171.89 1qll s LEU 111 N -2.36 3.89 0.25 8.88 2.01 -1.26 -4.88 118.68 125.20 1qll s LEU 111 Ca 0.55 -1.15 -0.04 0.00 0.01 0.00 0.00 54.13 53.50 1qll s LEU 111 Cb -0.29 -2.50 0.28 0.00 0.01 0.00 0.00 46.19 43.69 1qll s LEU 111 CO 0.37 -1.51 1.79 0.11 1.01 0.00 0.00 176.35 178.11 1qll h LYS 112 N 9.64 0.98 -0.26 1.70 1.57 -1.92 -2.82 116.57 125.45 1qll h LYS 112 Ca -0.07 -0.21 0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1qll h LYS 112 Cb 1.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1qll h LYS 112 CO 1.27 0.86 0.32 -1.35 -0.57 0.00 0.00 179.45 179.97 1qll h PRO 113 N 0.94 0.00 -0.33 3.15 0.11 -1.99 0.10 132.00 133.98 1qll h PRO 113 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1qll h PRO 113 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1qll h PRO 113 CO -0.00 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.98 1qll n PHE 114 N -3.66 0.44 -2.40 0.65 3.72 -1.06 -4.93 117.46 110.21 1qll n PHE 114 Ca 0.04 -0.22 -0.38 0.00 -0.05 0.00 0.00 57.45 56.84 1qll n PHE 114 Cb 0.46 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.97 1qll n PHE 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qll s LYS 116 N -2.37 3.30 0.47 0.00 2.47 -1.26 -4.90 119.74 117.45 1qll s LYS 116 Ca 0.57 1.70 -0.24 0.00 -1.56 0.00 0.00 55.97 56.45 1qll s LYS 116 Cb -0.27 -2.04 -0.07 0.00 -1.46 0.00 0.00 37.83 33.99 1qll s LYS 116 CO 0.34 -0.91 1.32 0.15 0.16 0.00 0.00 175.35 176.41 1qll s LYS 117 N -3.21 3.61 0.43 4.03 1.02 -1.26 -1.46 119.74 122.90 1qll s LYS 117 Ca 0.73 2.17 -0.15 0.00 0.02 0.00 0.00 55.97 58.74 1qll s LYS 117 Cb -0.27 -2.52 -0.08 0.00 -0.52 0.00 0.00 37.83 34.45 1qll s LYS 117 CO 0.30 -0.79 0.87 0.00 -0.92 0.00 0.00 175.35 174.81 1qll s ALA 118 N -1.31 3.19 0.79 5.17 0.00 -1.26 -4.05 121.76 124.29 1qll s ALA 118 Ca 0.63 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.57 1qll s ALA 118 Cb -0.38 -2.94 0.07 0.00 0.00 0.00 0.00 23.12 19.87 1qll s ALA 118 CO 0.48 -0.01 1.10 -0.51 0.00 0.00 0.00 175.76 176.82 1qll s ASP 119 N -2.82 4.28 0.65 0.00 1.01 -1.26 -4.97 116.67 113.57 1qll s ASP 119 Ca 0.56 1.87 -0.18 0.00 0.71 0.00 0.00 52.55 55.52 1qll s ASP 119 Cb -0.10 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 1qll s ASP 119 CO 0.26 -2.19 1.27 -0.54 0.21 0.00 0.00 175.17 174.18 1qll s LYS 120 N -4.87 2.53 0.00 8.23 1.02 -1.26 -5.08 119.74 120.32 1qll s LYS 120 Ca 0.62 1.98 0.17 0.00 0.02 0.00 0.00 55.97 58.77 1qll s LYS 120 Cb -0.18 -1.85 1.04 0.00 -0.52 0.00 0.00 37.83 36.32 1qll s LYS 120 CO 0.56 -1.59 1.44 0.00 -0.92 0.00 0.00 175.35 174.85