#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbj n THR 2 N 0.00 1.97 -0.22 0.00 -2.24 -1.26 -4.73 114.28 107.80 2qbj n THR 2 Ca 0.00 -0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 61.22 2qbj n THR 2 Cb 0.00 -0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 67.57 2qbj n THR 2 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2qbj n VAL 3 N 0.01 -0.36 -0.34 2.28 0.31 -1.26 -0.36 118.33 118.61 2qbj n VAL 3 Ca 0.13 1.75 0.07 0.00 -0.01 0.00 0.00 64.34 66.27 2qbj n VAL 3 Cb 0.31 -2.20 0.15 0.00 -0.91 0.00 0.00 33.84 31.18 2qbj n VAL 3 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2qbj n ASN 4 N -4.23 -0.31 -0.14 4.52 4.13 -1.26 -1.02 115.26 116.95 2qbj n ASN 4 Ca 0.01 1.61 -0.13 0.00 1.68 0.00 0.00 54.58 57.74 2qbj n ASN 4 Cb 0.14 -0.50 -0.09 0.00 -1.54 0.00 0.00 39.78 37.78 2qbj n ASN 4 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2qbj h GLN 5 N 0.00 -0.37 -0.96 3.52 4.20 -1.01 -0.38 115.11 120.10 2qbj h GLN 5 Ca 0.47 0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.26 2qbj h GLN 5 Cb 0.75 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.56 2qbj h GLN 5 CO -0.95 -0.25 0.63 -0.07 -0.67 0.00 0.00 178.83 177.52 2qbj h LEU 6 N -0.39 1.01 -1.46 1.46 3.38 -1.08 0.48 115.31 118.71 2qbj h LEU 6 Ca 0.08 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.27 2qbj h LEU 6 Cb 0.59 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 2qbj h LEU 6 CO -0.60 0.66 0.62 0.58 0.09 0.00 0.00 178.44 179.78 2qbj h VAL 7 N 1.15 0.65 0.00 1.22 2.07 -0.46 0.50 116.25 121.37 2qbj h VAL 7 Ca 0.41 -0.15 -0.22 0.00 0.82 0.00 0.00 66.70 67.56 2qbj h VAL 7 Cb 0.13 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 2qbj h VAL 7 CO -0.15 0.08 -1.58 0.54 0.02 0.00 0.00 177.57 176.48 2qbj n ARG 8 N -4.54 0.63 -3.28 1.57 1.74 -0.47 -4.67 116.66 107.64 2qbj n ARG 8 Ca 0.21 0.23 -0.22 0.00 -0.77 0.00 0.00 57.85 57.30 2qbj n ARG 8 Cb 0.73 -1.78 -0.08 0.00 -1.02 0.00 0.00 32.46 30.31 2qbj n ARG 8 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2qbj s LYS 9 N -2.80 0.87 1.03 5.56 2.47 0.24 -5.12 119.74 121.99 2qbj s LYS 9 Ca -0.04 -1.68 -0.15 0.00 -1.56 0.00 0.00 55.97 52.54 2qbj s LYS 9 Cb 0.08 -1.06 0.15 0.00 -1.46 0.00 0.00 37.83 35.54 2qbj s LYS 9 CO 0.82 -1.34 0.20 -2.30 0.16 0.00 0.00 175.35 172.90 2qbj n PRO 10 N 3.15 -2.11 -2.62 4.03 -0.02 0.15 -4.20 135.00 133.37 2qbj n PRO 10 Ca 0.24 -0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 60.67 2qbj n PRO 10 Cb 0.48 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.44 2qbj n PRO 10 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qbj s ARG 11 N -3.43 4.30 -0.06 -0.52 1.81 -1.26 -4.98 118.95 114.81 2qbj s ARG 11 Ca 0.40 1.42 -0.30 0.00 -1.72 0.00 0.00 55.73 55.53 2qbj s ARG 11 Cb -0.06 -3.63 -0.03 0.00 -0.45 0.00 0.00 34.95 30.78 2qbj s ARG 11 CO 0.40 -0.56 1.07 0.00 -0.68 0.00 0.00 175.30 175.54 2qbj s ALA 12 N 2.92 3.38 0.00 2.13 0.00 -1.26 -5.02 121.76 123.92 2qbj s ALA 12 Ca 0.47 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2qbj s ALA 12 Cb -0.17 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2qbj s ALA 12 CO 0.11 -0.56 0.00 0.54 0.00 0.00 0.00 175.76 175.84 2qbj n ARG 13 N 4.75 0.00 -3.23 0.00 5.12 -1.26 -5.11 116.66 116.92 2qbj n ARG 13 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 2qbj n ARG 13 Cb 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.78 2qbj n ARG 13 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2qbj n LYS 14 N 0.00 -0.92 -2.70 5.56 0.00 -1.26 -5.07 118.16 113.77 2qbj n LYS 14 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 2qbj n LYS 14 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 35.03 35.12 2qbj n LYS 14 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2qbj n VAL 15 N 2.10 0.38 -1.41 0.58 0.24 -1.26 -5.10 118.33 113.86 2qbj n VAL 15 Ca 0.00 -1.93 -0.62 0.00 -2.04 0.00 0.00 64.34 59.75 2qbj n VAL 15 Cb 0.00 0.96 -0.11 0.00 -1.47 0.00 0.00 33.84 33.22 2qbj n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qbj n ALA 16 N -0.68 -0.31 -1.39 2.33 0.00 -1.26 -4.90 120.51 114.30 2qbj n ALA 16 Ca -0.02 0.29 -0.17 0.00 0.00 0.00 0.00 53.44 53.54 2qbj n ALA 16 Cb 0.84 -2.01 0.19 0.00 0.00 0.00 0.00 19.45 18.47 2qbj n ALA 16 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qbj n LYS 17 N 6.29 -1.99 -3.41 0.00 -0.00 -1.26 -5.03 118.16 112.76 2qbj n LYS 17 Ca 0.47 -1.59 -0.38 0.00 -0.00 0.00 0.00 58.31 56.81 2qbj n LYS 17 Cb -0.05 -1.27 -0.06 0.00 -0.00 0.00 0.00 35.03 33.66 2qbj n LYS 17 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2qbj s SER 18 N -4.50 6.81 0.03 -5.58 0.15 -1.26 -4.95 113.70 104.41 2qbj s SER 18 Ca 0.61 0.97 0.12 0.00 0.70 0.00 0.00 55.95 58.35 2qbj s SER 18 Cb -0.04 -2.28 0.53 0.00 -1.71 0.00 0.00 66.02 62.53 2qbj s SER 18 CO 0.45 0.22 1.39 0.59 1.20 0.00 0.00 173.24 177.09 2qbj n ASN 19 N 2.35 0.07 -3.39 5.45 5.03 -1.26 -4.33 115.26 119.19 2qbj n ASN 19 Ca -0.11 0.52 -0.14 0.00 0.87 0.00 0.00 54.58 55.71 2qbj n ASN 19 Cb 0.52 -0.54 -0.09 0.00 -1.02 0.00 0.00 39.78 38.65 2qbj n ASN 19 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 2qbj s VAL 20 N -3.04 -0.46 -0.92 2.41 -7.23 -1.26 -4.94 120.40 104.95 2qbj s VAL 20 Ca 0.05 -0.29 -0.16 0.00 -1.81 0.00 0.00 61.98 59.76 2qbj s VAL 20 Cb 0.07 -0.89 -0.10 0.00 0.56 0.00 0.00 36.38 36.02 2qbj s VAL 20 CO 0.22 -0.31 2.04 -0.81 -0.31 0.00 0.00 175.10 175.93 2qbj n PRO 21 N 5.33 1.88 -0.03 4.82 -0.04 -1.26 -4.58 135.00 141.13 2qbj n PRO 21 Ca -0.03 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 2qbj n PRO 21 Cb 0.48 -2.84 0.02 0.00 -0.04 0.00 0.00 33.50 31.12 2qbj n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qbj n ALA 22 N 6.35 2.52 -0.94 0.55 0.00 -1.26 -4.98 120.51 122.75 2qbj n ALA 22 Ca 0.49 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.95 2qbj n ALA 22 Cb 0.33 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 2qbj n ALA 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbj n LEU 23 N -0.25 -0.46 -1.05 0.00 7.94 -1.26 -4.08 117.00 117.84 2qbj n LEU 23 Ca 0.01 1.07 -0.01 0.00 -1.11 0.00 0.00 56.01 55.98 2qbj n LEU 23 Cb 0.12 -2.38 -0.00 0.00 0.53 0.00 0.00 43.42 41.69 2qbj n LEU 23 CO 0.01 -1.06 -0.01 -0.62 -1.11 0.00 0.00 177.39 174.61 2qbj n GLU 24 N -3.51 -1.05 -3.83 1.96 1.02 -1.26 -0.27 120.64 113.70 2qbj n GLU 24 Ca -0.04 0.04 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 2qbj n GLU 24 Cb 0.37 -4.06 0.00 0.00 -0.02 0.00 0.00 31.44 27.73 2qbj n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qbj n ALA 25 N -0.96 -1.20 -2.05 0.62 0.00 -1.26 -4.90 120.51 110.76 2qbj n ALA 25 Ca -0.01 0.11 -0.40 0.00 0.00 0.00 0.00 53.44 53.14 2qbj n ALA 25 Cb 0.03 -3.73 -0.05 0.00 0.00 0.00 0.00 19.45 15.70 2qbj n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbj h PRO 27 N 4.90 0.00 -2.84 0.00 0.13 -1.90 -3.45 132.00 128.83 2qbj h PRO 27 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 2qbj h PRO 27 Cb 1.21 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 2qbj h PRO 27 CO 0.70 0.35 -0.21 1.14 -0.23 0.00 0.00 178.00 179.75 2qbj s GLN 28 N -3.82 0.68 0.00 0.86 0.00 -1.26 -4.57 119.66 111.54 2qbj s GLN 28 Ca -0.01 0.03 0.04 0.00 -0.00 0.00 0.00 55.36 55.41 2qbj s GLN 28 Cb 0.12 0.31 -0.01 0.00 0.00 0.00 0.00 33.01 33.43 2qbj s GLN 28 CO 0.68 -0.18 -0.13 0.15 0.00 0.00 0.00 175.29 175.82 2qbj s LYS 29 N -0.99 0.98 -0.09 9.60 -0.14 -1.21 -4.92 119.74 122.98 2qbj s LYS 29 Ca -0.10 -0.50 -0.21 0.00 -1.36 0.00 0.00 55.97 53.79 2qbj s LYS 29 Cb -0.04 -0.95 -0.04 0.00 -1.68 0.00 0.00 37.83 35.12 2qbj s LYS 29 CO 0.04 0.26 0.59 0.50 -0.76 0.00 0.00 175.35 175.98 2qbj s ARG 30 N -0.46 4.39 0.52 1.68 3.52 -1.26 -0.82 118.95 126.52 2qbj s ARG 30 Ca 0.04 0.68 0.00 0.00 -0.13 0.00 0.00 55.73 56.32 2qbj s ARG 30 Cb -0.05 -3.44 0.00 0.00 -1.56 0.00 0.00 34.95 29.90 2qbj s ARG 30 CO -0.00 0.12 0.02 0.41 -0.81 0.00 0.00 175.30 175.04 2qbj n GLY 31 N 3.14 3.52 0.00 8.12 0.00 -0.33 -0.53 105.19 119.11 2qbj n GLY 31 Ca -0.04 -2.37 0.03 0.00 0.00 0.00 0.00 46.02 43.63 2qbj n GLY 31 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qbj n VAL 32 N -1.32 0.00 -2.43 1.61 0.31 -0.93 -3.10 118.33 112.47 2qbj n VAL 32 Ca -0.21 -0.14 -0.03 0.00 -0.01 0.00 0.00 64.34 63.95 2qbj n VAL 32 Cb 0.66 0.37 -0.02 0.00 -0.91 0.00 0.00 33.84 33.94 2qbj n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbj h THR 34 N 2.95 0.00 -1.15 0.00 1.35 0.69 -3.39 112.91 113.37 2qbj h THR 34 Ca -0.27 -0.71 0.28 0.00 -0.55 0.00 0.00 66.41 65.17 2qbj h THR 34 Cb 0.60 1.69 -0.22 0.00 -1.73 0.00 0.00 68.15 68.48 2qbj h THR 34 CO 0.04 0.00 0.93 -0.60 -0.25 0.00 0.00 175.52 175.64 2qbj s ARG 35 N -3.25 0.11 -0.14 4.72 6.06 -0.72 -4.98 118.95 120.74 2qbj s ARG 35 Ca 0.07 -0.02 0.01 0.00 -2.50 0.00 0.00 55.73 53.29 2qbj s ARG 35 Cb 0.08 0.05 -0.00 0.00 0.06 0.00 0.00 34.95 35.14 2qbj s ARG 35 CO 0.61 -0.04 -0.17 0.14 -2.50 0.00 0.00 175.30 173.33 2qbj s VAL 36 N -1.78 2.50 0.27 7.11 -7.23 -1.26 -0.04 120.40 119.97 2qbj s VAL 36 Ca 0.10 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 2qbj s VAL 36 Cb -0.01 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.92 2qbj s VAL 36 CO -0.04 0.53 0.17 -1.22 -0.31 0.00 0.00 175.10 174.23 2qbj n TYR 37 N 3.96 -0.80 -2.74 2.82 4.01 -0.72 -4.91 117.16 118.77 2qbj n TYR 37 Ca -0.19 -1.17 -0.09 0.00 -0.16 0.00 0.00 57.90 56.29 2qbj n TYR 37 Cb 0.52 -0.21 0.09 0.00 -0.31 0.00 0.00 39.34 39.42 2qbj n TYR 37 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2qbj n THR 38 N -1.06 -0.00 -1.56 -0.72 -2.24 -1.26 -2.40 114.28 105.03 2qbj n THR 38 Ca -0.03 -1.60 -0.31 0.00 -2.27 0.00 0.00 64.05 59.84 2qbj n THR 38 Cb 0.31 1.38 0.06 0.00 -2.10 0.00 0.00 70.33 69.98 2qbj n THR 38 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2qbj s THR 39 N 0.17 3.72 0.25 4.28 -4.23 -1.23 -4.81 115.64 113.78 2qbj s THR 39 Ca 0.23 0.61 -0.20 0.00 -1.18 0.00 0.00 61.69 61.15 2qbj s THR 39 Cb 0.31 -3.22 -0.09 0.00 1.34 0.00 0.00 72.50 70.84 2qbj s THR 39 CO -0.06 -0.67 0.75 0.42 -0.54 0.00 0.00 174.62 174.52 2qbj s THR 40 N -2.85 4.55 0.07 3.99 -4.23 -1.26 -3.71 115.64 112.20 2qbj s THR 40 Ca 0.61 1.29 -0.01 0.00 -1.18 0.00 0.00 61.69 62.39 2qbj s THR 40 Cb -0.16 -3.83 0.02 0.00 1.34 0.00 0.00 72.50 69.87 2qbj s THR 40 CO 0.51 0.13 0.05 -0.81 -0.54 0.00 0.00 174.62 173.97 2qbj n PRO 41 N 0.52 -1.52 -0.63 3.99 -0.04 -1.26 -4.92 135.00 131.14 2qbj n PRO 41 Ca -0.01 -0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.25 2qbj n PRO 41 Cb 0.51 -0.09 0.09 0.00 -0.04 0.00 0.00 33.50 33.96 2qbj n PRO 41 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2qbj n LYS 42 N -1.89 -0.93 -0.09 0.54 4.76 -0.67 -4.91 118.16 114.97 2qbj n LYS 42 Ca 0.01 -0.76 -0.07 0.00 -2.87 0.00 0.00 58.31 54.62 2qbj n LYS 42 Cb 0.03 -0.56 -0.05 0.00 -1.84 0.00 0.00 35.03 32.61 2qbj n LYS 42 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 2qbj h LYS 43 N 0.00 -0.19 -0.12 1.97 2.10 -1.97 -3.21 116.57 115.16 2qbj h LYS 43 Ca -0.16 0.01 0.03 0.00 -2.00 0.00 0.00 60.65 58.53 2qbj h LYS 43 Cb 0.47 0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.81 2qbj h LYS 43 CO 0.11 -0.13 -0.07 -1.00 -2.00 0.00 0.00 179.45 176.37 2qbj h PRO 44 N -0.19 -0.06 0.00 0.07 0.13 -2.02 -3.45 132.00 126.48 2qbj h PRO 44 Ca 0.04 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.93 2qbj h PRO 44 Cb 0.31 0.01 0.07 0.00 0.13 0.00 0.00 31.00 31.52 2qbj h PRO 44 CO -0.33 -0.04 0.14 0.09 -0.23 0.00 0.00 178.00 177.62 2qbj n ASN 45 N -5.20 0.44 -3.63 1.44 5.03 -1.21 -5.12 115.26 107.01 2qbj n ASN 45 Ca -0.04 -1.47 -0.02 0.00 0.87 0.00 0.00 54.58 53.92 2qbj n ASN 45 Cb 0.13 -0.44 -0.06 0.00 -1.02 0.00 0.00 39.78 38.38 2qbj n ASN 45 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2qbj s SER 46 N -3.41 -0.55 0.00 6.41 0.15 -1.26 -4.62 113.70 110.41 2qbj s SER 46 Ca 0.38 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.90 2qbj s SER 46 Cb -0.02 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.55 2qbj s SER 46 CO 0.26 -0.14 0.00 0.00 1.20 0.00 0.00 173.24 174.57 2qbj n ALA 47 N 3.85 0.00 -2.46 5.45 0.00 -1.26 -4.98 120.51 121.10 2qbj n ALA 47 Ca -0.18 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 2qbj n ALA 47 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.04 2qbj n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qbj n LEU 48 N 0.00 3.67 -4.35 0.00 4.77 -1.26 -4.13 117.00 115.70 2qbj n LEU 48 Ca 0.00 -4.54 -0.58 0.00 -0.03 0.00 0.00 56.01 50.86 2qbj n LEU 48 Cb 0.00 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 2qbj n LEU 48 CO 0.00 1.93 0.60 0.54 -1.33 0.00 0.00 177.39 179.13 2qbj n ARG 49 N -0.44 0.00 -3.19 3.23 3.00 -1.24 -4.77 116.66 113.25 2qbj n ARG 49 Ca 0.30 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.73 2qbj n ARG 49 Cb 0.78 -1.44 -0.07 0.00 0.00 0.00 0.00 32.46 31.72 2qbj n ARG 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2qbj s LYS 50 N 0.25 3.73 0.00 5.56 1.02 -1.26 -3.54 119.74 125.50 2qbj s LYS 50 Ca 0.89 0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.90 2qbj s LYS 50 Cb -1.24 -3.78 0.00 0.00 -0.52 0.00 0.00 37.83 32.29 2qbj s LYS 50 CO 0.57 -0.62 0.00 0.28 -0.92 0.00 0.00 175.35 174.66 2qbj n VAL 51 N 5.44 0.00 -3.39 3.17 0.31 -1.01 -1.88 118.33 120.97 2qbj n VAL 51 Ca -0.03 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.33 2qbj n VAL 51 Cb 0.49 -0.20 -0.05 0.00 -0.91 0.00 0.00 33.84 33.17 2qbj n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbj s ARG 53 N 1.59 3.74 0.61 0.00 3.52 0.95 -3.07 118.95 126.29 2qbj s ARG 53 Ca -0.03 0.69 0.05 0.00 -0.13 0.00 0.00 55.73 56.31 2qbj s ARG 53 Cb -0.01 -3.91 0.09 0.00 -1.56 0.00 0.00 34.95 29.56 2qbj s ARG 53 CO -0.13 -1.36 0.85 0.08 -0.81 0.00 0.00 175.30 173.93 2qbj s VAL 54 N 4.53 2.29 -0.42 7.11 1.01 -0.93 0.12 120.40 134.12 2qbj s VAL 54 Ca 0.50 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2qbj s VAL 54 Cb -0.09 -2.48 0.16 0.00 0.00 0.00 0.00 36.38 33.97 2qbj s VAL 54 CO 0.30 0.00 0.33 -0.60 0.00 0.00 0.00 175.10 175.13 2qbj s ARG 55 N -4.83 0.93 1.12 2.72 3.52 -1.26 -3.93 118.95 117.22 2qbj s ARG 55 Ca 0.62 -2.05 -0.19 0.00 -0.13 0.00 0.00 55.73 53.99 2qbj s ARG 55 Cb -0.06 -1.51 0.11 0.00 -1.56 0.00 0.00 34.95 31.92 2qbj s ARG 55 CO 0.40 -1.35 -0.03 1.28 -0.81 0.00 0.00 175.30 174.79 2qbj n LEU 56 N 3.00 -2.28 -0.09 -0.88 4.77 -1.19 -2.19 117.00 118.14 2qbj n LEU 56 Ca 0.26 -0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 2qbj n LEU 56 Cb 0.45 -0.92 -0.04 0.00 -2.33 0.00 0.00 43.42 40.58 2qbj n LEU 56 CO 0.10 -3.08 0.62 0.71 -1.33 0.00 0.00 177.39 174.42 2qbj h THR 57 N -2.12 1.30 0.00 -5.08 1.35 -1.17 -2.94 112.91 104.25 2qbj h THR 57 Ca -0.51 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 2qbj h THR 57 Cb 1.32 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 2qbj h THR 57 CO 0.36 0.42 0.00 -0.55 -0.25 0.00 0.00 175.52 175.50 2qbj h ASN 58 N 0.35 0.00 -0.62 5.36 7.08 -1.92 -3.46 115.58 122.38 2qbj h ASN 58 Ca 0.05 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.27 2qbj h ASN 58 Cb 0.73 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.97 2qbj h ASN 58 CO 0.05 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.01 2qbj n GLY 59 N -1.09 0.63 2.91 9.14 0.00 -1.11 -5.14 105.19 110.53 2qbj n GLY 59 Ca -0.02 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 2qbj n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qbj s PHE 60 N -2.21 0.08 -0.96 1.61 0.40 -1.26 -5.00 117.98 110.64 2qbj s PHE 60 Ca 0.00 -0.16 -0.02 0.00 -0.60 0.00 0.00 56.93 56.16 2qbj s PHE 60 Cb 0.00 -0.06 0.32 0.00 0.51 0.00 0.00 43.02 43.79 2qbj s PHE 60 CO 0.00 -0.06 1.93 0.39 0.70 0.00 0.00 175.22 178.18 2qbj n GLU 61 N 2.61 4.44 -2.33 0.44 -0.58 -1.26 -3.17 120.64 120.79 2qbj n GLU 61 Ca -0.16 -4.20 -0.26 0.00 -0.42 0.00 0.00 57.16 52.12 2qbj n GLU 61 Cb 0.58 -2.40 0.14 0.00 -0.57 0.00 0.00 31.44 29.19 2qbj n GLU 61 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2qbj s VAL 62 N -4.49 2.08 0.38 2.62 -7.23 -1.25 -4.90 120.40 107.61 2qbj s VAL 62 Ca 0.44 -0.36 0.05 0.00 -1.81 0.00 0.00 61.98 60.30 2qbj s VAL 62 Cb 0.28 -2.72 -0.06 0.00 0.56 0.00 0.00 36.38 34.44 2qbj s VAL 62 CO -0.23 0.00 0.04 0.42 -0.31 0.00 0.00 175.10 175.02 2qbj s THR 63 N -3.43 1.41 -0.21 5.32 -4.23 -1.26 -2.18 115.64 111.06 2qbj s THR 63 Ca 0.69 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.93 2qbj s THR 63 Cb -0.05 -2.75 0.09 0.00 1.34 0.00 0.00 72.50 71.13 2qbj s THR 63 CO 0.48 0.00 0.81 -0.94 -0.54 0.00 0.00 174.62 174.43 2qbj s SER 64 N -3.62 -0.62 0.23 3.99 1.04 -1.18 -3.65 113.70 109.90 2qbj s SER 64 Ca 0.31 1.04 -0.19 0.00 0.48 0.00 0.00 55.95 57.58 2qbj s SER 64 Cb 0.08 0.99 -0.08 0.00 0.10 0.00 0.00 66.02 67.11 2qbj s SER 64 CO 0.15 -0.32 0.73 -0.47 0.98 0.00 0.00 173.24 174.31 2qbj s TYR 65 N -0.18 3.62 -0.69 5.02 5.04 -0.89 -2.77 117.35 126.50 2qbj s TYR 65 Ca -0.02 1.39 -0.10 0.00 -2.44 0.00 0.00 57.07 55.90 2qbj s TYR 65 Cb -0.03 -2.62 0.18 0.00 0.35 0.00 0.00 41.96 39.84 2qbj s TYR 65 CO 0.02 0.31 0.58 0.42 -1.34 0.00 0.00 175.55 175.54 2qbj s ILE 66 N -1.57 4.75 0.96 3.14 1.09 -0.79 -1.16 121.20 127.62 2qbj s ILE 66 Ca 0.44 -2.49 -0.12 0.00 -1.10 0.00 0.00 60.65 57.38 2qbj s ILE 66 Cb -0.16 -4.01 0.11 0.00 -1.06 0.00 0.00 42.46 37.34 2qbj s ILE 66 CO 0.21 -0.93 0.78 0.61 -0.10 0.00 0.00 174.94 175.51 2qbj n GLY 67 N 4.00 -1.26 0.43 6.18 0.00 -1.26 -4.79 105.19 108.50 2qbj n GLY 67 Ca 0.07 -0.77 0.05 0.00 0.00 0.00 0.00 46.02 45.37 2qbj n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbj n GLY 68 N 0.91 -2.87 3.74 -0.02 0.00 -1.26 -4.88 105.19 100.80 2qbj n GLY 68 Ca 0.09 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 2qbj n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qbj s GLU 69 N -3.45 4.57 0.25 1.61 8.01 -1.26 -4.81 118.70 123.62 2qbj s GLU 69 Ca 0.00 1.21 0.00 0.00 0.01 0.00 0.00 54.97 56.19 2qbj s GLU 69 Cb 0.00 -3.37 0.00 0.00 -4.31 0.00 0.00 34.13 26.45 2qbj s GLU 69 CO 0.00 0.26 0.00 0.41 0.01 0.00 0.00 175.26 175.94 2qbj n GLY 70 N 2.32 -4.88 0.00 -1.39 0.00 -1.26 -4.80 105.19 95.18 2qbj n GLY 70 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2qbj n GLY 70 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qbj n HIS 71 N 0.85 0.00 -2.00 1.61 1.44 -1.26 -4.78 115.22 111.08 2qbj n HIS 71 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2qbj n HIS 71 Cb 0.00 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.11 2qbj n HIS 71 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2qbj n ASN 72 N -1.17 0.00 -4.67 4.39 6.94 -1.26 -5.04 115.26 114.45 2qbj n ASN 72 Ca 0.00 -1.73 -0.43 0.00 -0.02 0.00 0.00 54.58 52.40 2qbj n ASN 72 Cb 0.00 -0.15 -0.02 0.00 -2.36 0.00 0.00 39.78 37.25 2qbj n ASN 72 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qbj s LEU 73 N 0.00 4.22 0.00 -4.53 1.43 -1.26 -4.89 118.68 113.65 2qbj s LEU 73 Ca 0.00 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 2qbj s LEU 73 Cb 0.00 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 2qbj s LEU 73 CO -0.00 -0.65 0.00 0.00 0.23 0.00 0.00 176.35 175.93 2qbj n GLN 74 N 5.82 3.99 0.00 1.70 6.02 -1.26 -4.91 117.38 128.73 2qbj n GLN 74 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2qbj n GLN 74 Cb 0.46 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.72 2qbj n GLN 74 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2qbj n GLU 75 N 0.00 0.00 -3.47 -1.09 4.07 -1.26 -4.05 120.64 114.84 2qbj n GLU 75 Ca 0.00 0.47 -0.41 0.00 -0.06 0.00 0.00 57.16 57.16 2qbj n GLU 75 Cb 0.00 -1.40 -0.03 0.00 -0.06 0.00 0.00 31.44 29.95 2qbj n GLU 75 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2qbj s HIS 76 N -2.59 4.11 -0.19 4.31 3.76 -1.26 -4.35 115.29 119.09 2qbj s HIS 76 Ca 0.00 -2.83 -0.00 0.00 -0.15 0.00 0.00 55.06 52.08 2qbj s HIS 76 Cb 0.00 -3.58 0.01 0.00 1.11 0.00 0.00 32.58 30.12 2qbj s HIS 76 CO 0.00 -0.86 -0.15 -1.12 -0.85 0.00 0.00 174.74 171.76 2qbj s SER 77 N 0.71 3.50 -0.26 1.40 0.01 -0.88 -5.03 113.70 113.15 2qbj s SER 77 Ca 0.29 -0.56 -0.29 0.00 1.31 0.00 0.00 55.95 56.70 2qbj s SER 77 Cb -0.09 -1.56 -0.00 0.00 0.21 0.00 0.00 66.02 64.58 2qbj s SER 77 CO -0.10 0.01 1.26 -0.69 0.41 0.00 0.00 173.24 174.13 2qbj s VAL 78 N 1.27 4.24 0.42 3.43 1.01 -1.26 -3.76 120.40 125.75 2qbj s VAL 78 Ca 0.04 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.49 2qbj s VAL 78 Cb -0.14 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 2qbj s VAL 78 CO -0.09 -0.36 0.12 2.30 0.00 0.00 0.00 175.10 177.07 2qbj n ILE 79 N 5.89 0.00 -4.80 2.22 -5.35 -1.18 -1.41 119.36 114.73 2qbj n ILE 79 Ca 0.14 -2.34 -0.27 0.00 -0.27 0.00 0.00 62.75 60.02 2qbj n ILE 79 Cb 0.46 0.77 -0.15 0.00 -1.74 0.00 0.00 39.64 38.98 2qbj n ILE 79 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2qbj s LEU 80 N 0.00 2.13 -0.03 7.28 2.96 -1.26 -1.19 118.68 128.57 2qbj s LEU 80 Ca 0.16 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 2qbj s LEU 80 Cb 0.01 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 2qbj s LEU 80 CO 0.12 0.20 0.18 -0.63 -1.32 0.00 0.00 176.35 174.90 2qbj s ILE 81 N -0.71 5.43 -0.14 6.68 -1.09 0.00 -0.37 121.20 131.00 2qbj s ILE 81 Ca 0.08 -0.06 -0.06 0.00 -2.23 0.00 0.00 60.65 58.39 2qbj s ILE 81 Cb -0.09 -3.52 -0.06 0.00 -1.58 0.00 0.00 42.46 37.21 2qbj s ILE 81 CO 0.01 0.38 -0.17 -1.14 -1.23 0.00 0.00 174.94 172.79 2qbj n ARG 82 N 1.15 0.30 -0.03 2.79 0.63 0.34 -3.31 116.66 118.53 2qbj n ARG 82 Ca -0.13 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2qbj n ARG 82 Cb 0.53 -1.04 0.00 0.00 0.45 0.00 0.00 32.46 32.40 2qbj n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qbj n GLY 83 N 2.25 0.13 3.19 5.14 0.00 -1.26 -4.78 105.19 109.86 2qbj n GLY 83 Ca -0.27 -0.69 0.02 0.00 0.00 0.00 0.00 46.02 45.08 2qbj n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qbj s GLY 84 N -0.01 -1.26 0.61 -0.02 0.00 -0.83 -4.80 107.32 101.01 2qbj s GLY 84 Ca 0.00 0.43 -0.17 0.00 0.00 0.00 0.00 44.72 44.98 2qbj s GLY 84 CO 0.00 3.67 -0.28 -2.13 0.00 0.00 0.00 173.10 174.36 2qbj n ARG 85 N 4.68 0.00 -4.04 2.90 0.63 -1.10 -4.33 116.66 115.39 2qbj n ARG 85 Ca 0.09 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.71 2qbj n ARG 85 Cb 0.56 -0.97 -0.15 0.00 0.45 0.00 0.00 32.46 32.35 2qbj n ARG 85 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2qbj s VAL 86 N -1.94 2.23 0.31 5.15 1.01 -0.83 -4.95 120.40 121.38 2qbj s VAL 86 Ca 0.51 -2.02 0.07 0.00 0.00 0.00 0.00 61.98 60.54 2qbj s VAL 86 Cb -0.41 -2.50 0.30 0.00 0.00 0.00 0.00 36.38 33.77 2qbj s VAL 86 CO 0.68 -0.34 1.71 0.50 0.00 0.00 0.00 175.10 177.65 2qbj h LYS 87 N 7.68 0.46 0.00 2.72 3.64 -1.93 0.14 116.57 129.29 2qbj h LYS 87 Ca -0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2qbj h LYS 87 Cb 1.03 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2qbj h LYS 87 CO 0.49 0.30 -0.35 -0.44 -2.27 0.00 0.00 179.45 177.18 2qbj h ASP 88 N 0.47 0.00 -4.09 4.20 3.45 -1.98 -3.41 116.42 115.07 2qbj h ASP 88 Ca 0.61 -0.04 -0.71 0.00 0.43 0.00 0.00 57.03 57.31 2qbj h ASP 88 Cb 1.17 0.00 -0.34 0.00 -0.56 0.00 0.00 39.33 39.60 2qbj h ASP 88 CO -0.51 0.02 -0.30 -0.76 -1.57 0.00 0.00 179.24 176.12 2qbj s LEU 89 N -5.24 5.45 0.57 1.55 2.01 0.51 -1.68 118.68 121.85 2qbj s LEU 89 Ca 0.06 -2.82 -0.19 0.00 0.01 0.00 0.00 54.13 51.19 2qbj s LEU 89 Cb 0.09 -1.90 -0.04 0.00 0.01 0.00 0.00 46.19 44.35 2qbj s LEU 89 CO 0.69 -0.40 1.15 -2.16 1.01 0.00 0.00 176.35 176.64 2qbj s PRO 90 N -0.02 3.16 0.00 1.29 0.04 -1.25 -2.69 135.00 135.53 2qbj s PRO 90 Ca 0.17 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2qbj s PRO 90 Cb -0.19 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2qbj s PRO 90 CO -0.04 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.40 2qbj n GLY 91 N 0.14 2.40 3.07 0.56 0.00 -1.26 -4.95 105.19 105.15 2qbj n GLY 91 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2qbj n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbj s VAL 92 N -3.13 3.26 -0.98 1.61 1.01 -1.10 -4.33 120.40 116.75 2qbj s VAL 92 Ca 0.00 -2.75 0.15 0.00 0.00 0.00 0.00 61.98 59.38 2qbj s VAL 92 Cb 0.00 -3.19 0.46 0.00 0.00 0.00 0.00 36.38 33.65 2qbj s VAL 92 CO 0.00 -0.79 1.39 0.54 0.00 0.00 0.00 175.10 176.24 2qbj n ARG 93 N 3.76 3.01 -4.37 2.72 3.00 -1.26 -1.97 116.66 121.55 2qbj n ARG 93 Ca 0.04 -2.42 -0.19 0.00 -0.01 0.00 0.00 57.85 55.28 2qbj n ARG 93 Cb 0.38 -1.52 -0.10 0.00 0.00 0.00 0.00 32.46 31.22 2qbj n ARG 93 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2qbj s TYR 94 N -1.46 1.77 0.07 -1.55 2.02 -1.24 -1.96 117.35 115.00 2qbj s TYR 94 Ca 0.35 -0.69 0.05 0.00 -0.37 0.00 0.00 57.07 56.42 2qbj s TYR 94 Cb 0.21 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.80 2qbj s TYR 94 CO 0.19 0.26 -0.15 -1.01 -1.57 0.00 0.00 175.55 173.26 2qbj s HIS 95 N -3.07 1.26 0.04 2.71 3.76 -1.26 -2.10 115.29 116.63 2qbj s HIS 95 Ca 0.26 -0.44 -0.22 0.00 -0.15 0.00 0.00 55.06 54.51 2qbj s HIS 95 Cb 0.02 -0.71 -0.06 0.00 1.11 0.00 0.00 32.58 32.94 2qbj s HIS 95 CO 0.09 0.06 0.67 0.95 -0.85 0.00 0.00 174.74 175.66 2qbj s THR 96 N -1.20 4.77 -0.89 1.30 -4.23 -0.31 0.13 115.64 115.20 2qbj s THR 96 Ca -0.01 1.42 -0.24 0.00 -1.18 0.00 0.00 61.69 61.69 2qbj s THR 96 Cb -0.10 -4.01 0.06 0.00 1.34 0.00 0.00 72.50 69.79 2qbj s THR 96 CO 0.02 0.43 1.31 -0.69 -0.54 0.00 0.00 174.62 175.15 2qbj s VAL 97 N -0.35 4.01 0.19 2.29 1.01 0.50 -4.69 120.40 123.36 2qbj s VAL 97 Ca 0.34 -0.50 -0.32 0.00 0.00 0.00 0.00 61.98 61.50 2qbj s VAL 97 Cb -0.20 -4.95 -0.12 0.00 0.00 0.00 0.00 36.38 31.12 2qbj s VAL 97 CO 0.20 -1.81 1.73 -0.13 0.00 0.00 0.00 175.10 175.09 2qbj s ARG 98 N 4.80 4.13 0.00 2.72 0.52 -1.26 -2.13 118.95 127.73 2qbj s ARG 98 Ca 0.39 2.59 0.00 0.00 -0.52 0.00 0.00 55.73 58.19 2qbj s ARG 98 Cb -0.05 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.27 2qbj s ARG 98 CO -0.01 -0.76 0.00 0.41 0.02 0.00 0.00 175.30 174.96 2qbj n GLY 99 N 4.00 1.66 3.85 -3.53 0.00 0.23 -2.50 105.19 108.91 2qbj n GLY 99 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2qbj n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbj s ALA 100 N -2.46 3.79 0.00 4.61 0.00 -0.91 -4.87 121.76 121.92 2qbj s ALA 100 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2qbj s ALA 100 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.96 2qbj s ALA 100 CO 0.00 0.52 0.00 1.28 0.00 0.00 0.00 175.76 177.56 2qbj n LEU 101 N 2.07 0.00 0.00 0.00 4.77 -1.26 -2.19 117.00 120.39 2qbj n LEU 101 Ca -0.17 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 55.91 2qbj n LEU 101 Cb 0.54 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 42.07 2qbj n LEU 101 CO 0.34 0.00 0.82 0.47 -1.33 0.00 0.00 177.39 177.69 2qbj n ASP 102 N 1.82 0.00 -4.67 -1.43 10.43 -0.50 -4.71 116.55 117.49 2qbj n ASP 102 Ca 0.00 0.42 -0.41 0.00 2.57 0.00 0.00 54.79 57.36 2qbj n ASP 102 Cb 0.00 -0.47 -0.04 0.00 1.84 0.00 0.00 41.12 42.45 2qbj n ASP 102 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qbj n SER 104 N 5.18 -0.58 -4.22 0.00 3.41 -1.26 -2.55 113.62 113.60 2qbj n SER 104 Ca 0.04 -0.56 -0.15 0.00 -0.26 0.00 0.00 58.87 57.95 2qbj n SER 104 Cb 0.49 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 2qbj n SER 104 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2qbj s GLY 105 N -2.41 0.98 -0.19 5.00 0.00 -1.26 0.78 107.32 110.22 2qbj s GLY 105 Ca 0.00 -1.34 -0.30 0.00 0.00 0.00 0.00 44.72 43.07 2qbj s GLY 105 CO 0.00 -1.43 2.15 -0.62 0.00 0.00 0.00 173.10 173.20 2qbj n VAL 106 N 0.21 0.40 -1.86 1.40 0.31 -1.03 -4.95 118.33 112.81 2qbj n VAL 106 Ca -0.13 -0.34 -0.31 0.00 -0.01 0.00 0.00 64.34 63.54 2qbj n VAL 106 Cb 0.59 -2.30 0.01 0.00 -0.91 0.00 0.00 33.84 31.24 2qbj n VAL 106 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2qbj s LYS 107 N 5.82 3.48 0.00 5.55 0.00 -1.26 -3.62 119.74 129.70 2qbj s LYS 107 Ca 1.00 0.83 0.00 0.00 0.00 0.00 0.00 55.97 57.80 2qbj s LYS 107 Cb -0.48 -2.06 0.00 0.00 0.00 0.00 0.00 37.83 35.29 2qbj s LYS 107 CO 0.40 -0.67 0.00 -0.25 0.00 0.00 0.00 175.35 174.84 2qbj n ASP 108 N -2.69 0.00 -4.56 0.03 9.92 -1.26 -4.92 116.55 113.07 2qbj n ASP 108 Ca 0.06 0.00 -0.47 0.00 -0.53 0.00 0.00 54.79 53.85 2qbj n ASP 108 Cb 0.54 -0.18 -0.03 0.00 -0.64 0.00 0.00 41.12 40.81 2qbj n ASP 108 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2qbj n ARG 109 N -0.99 1.08 0.00 -1.24 3.00 -1.24 -4.88 116.66 112.39 2qbj n ARG 109 Ca 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 2qbj n ARG 109 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 32.46 30.70 2qbj n ARG 109 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2qbj n LYS 110 N 1.21 0.00 -3.24 -0.14 4.76 -1.26 -4.92 118.16 114.57 2qbj n LYS 110 Ca 0.13 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.22 2qbj n LYS 110 Cb 0.27 -0.61 -0.06 0.00 -1.84 0.00 0.00 35.03 32.79 2qbj n LYS 110 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2qbj s GLN 111 N -1.79 4.09 -1.45 1.97 -0.21 -1.26 -3.88 119.66 117.13 2qbj s GLN 111 Ca 0.00 0.66 -0.11 0.00 0.02 0.00 0.00 55.36 55.92 2qbj s GLN 111 Cb 0.00 -2.88 0.05 0.00 1.00 0.00 0.00 33.01 31.18 2qbj s GLN 111 CO 0.00 0.42 1.06 0.00 -2.12 0.00 0.00 175.29 174.65 2qbj n ALA 112 N 0.69 -1.27 -0.21 6.09 0.00 -1.26 -4.87 120.51 119.68 2qbj n ALA 112 Ca -0.03 0.30 0.06 0.00 0.00 0.00 0.00 53.44 53.77 2qbj n ALA 112 Cb 0.52 -4.94 0.34 0.00 0.00 0.00 0.00 19.45 15.36 2qbj n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbj h ARG 113 N -2.33 0.77 -0.14 0.00 3.08 -1.90 -2.94 114.38 110.92 2qbj h ARG 113 Ca -0.57 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.45 2qbj h ARG 113 Cb 1.37 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 2qbj h ARG 113 CO 0.61 0.51 -0.21 1.03 -1.07 0.00 0.00 179.97 180.84 2qbj h SER 114 N 0.80 -0.71 -4.18 7.04 0.87 -1.89 -2.61 113.55 112.87 2qbj h SER 114 Ca 0.33 0.09 -0.53 0.00 -1.23 0.00 0.00 61.79 60.45 2qbj h SER 114 Cb 0.28 0.29 0.15 0.00 -0.44 0.00 0.00 62.40 62.68 2qbj h SER 114 CO -0.12 -0.16 0.39 -0.54 -0.53 0.00 0.00 176.83 175.88 2qbj s LYS 115 N -4.01 2.19 -1.20 2.24 1.02 -1.11 -2.27 119.74 116.61 2qbj s LYS 115 Ca -0.06 1.74 0.00 0.00 0.02 0.00 0.00 55.97 57.68 2qbj s LYS 115 Cb 0.03 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 2qbj s LYS 115 CO 0.23 -1.79 0.00 0.66 -0.92 0.00 0.00 175.35 173.54 2qbj n TYR 116 N -2.67 -0.08 -1.36 3.18 4.02 -1.26 -4.46 117.16 114.52 2qbj n TYR 116 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2qbj n TYR 116 Cb 0.50 -2.22 0.00 0.00 -0.02 0.00 0.00 39.34 37.60 2qbj n TYR 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qbj n GLY 117 N -1.49 0.00 2.61 2.72 0.00 -0.96 -2.48 105.19 105.59 2qbj n GLY 117 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 2qbj n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbj s VAL 118 N -0.16 -0.16 0.88 1.61 1.01 -0.98 -4.34 120.40 118.25 2qbj s VAL 118 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 2qbj s VAL 118 Cb 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 2qbj s VAL 118 CO 0.00 -0.66 0.29 0.29 0.00 0.00 0.00 175.10 175.01 2qbj n LYS 119 N 5.18 -0.06 -1.39 2.72 4.76 -1.26 -4.68 118.16 123.42 2qbj n LYS 119 Ca -0.03 0.02 -0.38 0.00 -2.87 0.00 0.00 58.31 55.05 2qbj n LYS 119 Cb 0.43 -1.73 0.03 0.00 -1.84 0.00 0.00 35.03 31.93 2qbj n LYS 119 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2qbj n ARG 120 N -0.82 0.35 0.00 1.97 0.63 -1.26 -4.94 116.66 112.59 2qbj n ARG 120 Ca 0.07 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 2qbj n ARG 120 Cb 0.53 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.92 2qbj n ARG 120 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2qbj n PRO 121 N 0.35 0.00 0.00 -0.14 -0.04 -1.26 -5.02 135.00 128.89 2qbj n PRO 121 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2qbj n PRO 121 Cb 0.48 -0.50 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 2qbj n PRO 121 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2qbj n LYS 122 N 0.00 0.00 0.00 0.54 -0.00 -1.26 -5.23 118.16 112.21 2qbj n LYS 122 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 2qbj n LYS 122 Cb 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 35.03 35.24 2qbj n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40