#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk n LEU 3 N 0.00 0.00 0.00 6.15 4.77 -1.26 -4.06 117.00 122.60 2qbk n LEU 3 Ca 0.00 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2qbk n LEU 3 Cb 0.00 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2qbk n LEU 3 CO 0.00 -1.86 0.00 0.59 -1.33 0.00 0.00 177.39 174.79 2qbk n ASN 4 N -4.01 0.00 -0.25 -1.43 5.03 -1.26 -4.23 115.26 109.11 2qbk n ASN 4 Ca 0.06 0.00 0.20 0.00 0.87 0.00 0.00 54.58 55.71 2qbk n ASN 4 Cb 0.24 0.00 0.33 0.00 -1.02 0.00 0.00 39.78 39.32 2qbk n ASN 4 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2qbk n THR 5 N 0.00 -0.07 -2.73 3.41 -2.24 -1.26 -4.21 114.28 107.18 2qbk n THR 5 Ca 0.00 0.75 -0.43 0.00 -2.27 0.00 0.00 64.05 62.10 2qbk n THR 5 Cb 0.00 -1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 66.96 2qbk n THR 5 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2qbk s LEU 6 N -6.57 4.00 0.28 3.22 2.34 -1.26 -5.04 118.68 115.66 2qbk s LEU 6 Ca -0.03 0.99 0.09 0.00 0.06 0.00 0.00 54.13 55.24 2qbk s LEU 6 Cb 0.13 -3.41 -0.04 0.00 -0.56 0.00 0.00 46.19 42.31 2qbk s LEU 6 CO 0.38 -0.77 0.06 -0.44 -1.06 0.00 0.00 176.35 174.52 2qbk s SER 7 N 1.57 4.73 1.15 1.48 0.01 -1.26 -5.10 113.70 116.27 2qbk s SER 7 Ca 0.41 -0.61 -0.13 0.00 1.31 0.00 0.00 55.95 56.93 2qbk s SER 7 Cb -0.13 -0.91 0.27 0.00 0.21 0.00 0.00 66.02 65.46 2qbk s SER 7 CO 0.13 -0.08 1.04 -2.84 0.41 0.00 0.00 173.24 171.90 2qbk s PRO 8 N -3.74 -0.77 1.33 12.44 0.02 -1.26 -5.01 135.00 138.01 2qbk s PRO 8 Ca 0.33 0.68 -0.22 0.00 0.02 0.00 0.00 61.00 61.81 2qbk s PRO 8 Cb -0.06 -1.58 0.34 0.00 0.02 0.00 0.00 34.50 33.22 2qbk s PRO 8 CO 0.21 -3.58 0.91 0.00 -0.33 0.00 0.00 177.00 174.21 2qbk n ALA 9 N -4.80 -4.40 -3.23 -1.55 0.00 -1.26 -4.89 120.51 100.38 2qbk n ALA 9 Ca 0.03 -1.50 -0.45 0.00 0.00 0.00 0.00 53.44 51.53 2qbk n ALA 9 Cb 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2qbk n ALA 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qbk n GLU 10 N -5.32 3.58 0.00 0.00 4.07 -1.26 -3.90 120.64 117.81 2qbk n GLU 10 Ca 0.14 -4.34 0.00 0.00 -0.06 0.00 0.00 57.16 52.90 2qbk n GLU 10 Cb 0.57 -2.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.30 2qbk n GLU 10 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qbk n GLY 11 N 2.85 -0.23 0.14 8.31 0.00 -1.26 -5.03 105.19 109.97 2qbk n GLY 11 Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 2qbk n GLY 11 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2qbk h SER 12 N 0.00 -0.03 -3.58 1.61 0.02 -1.94 -3.39 113.55 106.25 2qbk h SER 12 Ca 0.00 0.05 -0.64 0.00 -0.84 0.00 0.00 61.79 60.36 2qbk h SER 12 Cb 0.00 0.08 -0.21 0.00 0.14 0.00 0.00 62.40 62.41 2qbk h SER 12 CO 0.00 0.02 -0.60 -0.54 -1.14 0.00 0.00 176.83 174.57 2qbk s LYS 13 N -6.18 3.75 -0.64 3.45 -0.14 -1.26 -5.00 119.74 113.72 2qbk s LYS 13 Ca -0.13 -0.44 -0.00 0.00 -1.36 0.00 0.00 55.97 54.04 2qbk s LYS 13 Cb 0.11 -3.31 0.42 0.00 -1.68 0.00 0.00 37.83 33.38 2qbk s LYS 13 CO 0.70 -0.07 1.83 1.63 -0.76 0.00 0.00 175.35 178.68 2qbk n LYS 14 N 4.58 2.91 0.00 1.68 4.76 -1.26 -5.03 118.16 125.80 2qbk n LYS 14 Ca -0.16 -3.58 0.00 0.00 -2.87 0.00 0.00 58.31 51.70 2qbk n LYS 14 Cb 0.52 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 2qbk n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbk n ALA 15 N -0.76 0.00 0.00 7.82 0.00 -1.26 -4.82 120.51 121.49 2qbk n ALA 15 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2qbk n ALA 15 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2qbk n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbk n GLY 16 N 0.00 4.44 3.38 0.00 0.00 -1.26 -5.14 105.19 106.61 2qbk n GLY 16 Ca 0.00 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 2qbk n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbk n LYS 17 N -1.62 -0.97 0.11 1.61 2.85 -1.26 -4.98 118.16 113.89 2qbk n LYS 17 Ca 0.00 -0.25 0.00 0.00 -1.05 0.00 0.00 58.31 57.01 2qbk n LYS 17 Cb 0.00 -1.84 0.00 0.00 -0.65 0.00 0.00 35.03 32.54 2qbk n LYS 17 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qbk n ARG 18 N -2.21 0.00 -1.29 -1.58 1.74 -1.26 -5.17 116.66 106.89 2qbk n ARG 18 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2qbk n ARG 18 Cb 0.57 -0.05 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 2qbk n ARG 18 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qbk n LEU 19 N -3.29 -1.41 -3.83 0.55 4.32 -1.26 -4.83 117.00 107.25 2qbk n LEU 19 Ca 0.00 2.35 -0.23 0.00 -0.02 0.00 0.00 56.01 58.10 2qbk n LEU 19 Cb 0.00 -2.38 0.01 0.00 -1.62 0.00 0.00 43.42 39.42 2qbk n LEU 19 CO 0.00 -0.61 -0.14 0.61 -1.22 0.00 0.00 177.39 176.03 2qbk n GLY 20 N -2.32 -0.26 2.72 -0.72 0.00 0.25 -4.92 105.19 99.95 2qbk n GLY 20 Ca 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 2qbk n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbk n ARG 21 N -4.34 1.33 0.00 1.61 5.12 -1.26 -5.00 116.66 114.12 2qbk n ARG 21 Ca -0.29 -3.32 0.00 0.00 -1.93 0.00 0.00 57.85 52.30 2qbk n ARG 21 Cb 0.68 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.63 2qbk n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbk n GLY 22 N -0.24 -0.76 0.37 -0.13 0.00 -1.26 -4.34 105.19 98.83 2qbk n GLY 22 Ca 0.08 -1.62 -0.01 0.00 0.00 0.00 0.00 46.02 44.47 2qbk n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qbk h ILE 23 N 0.00 1.23 -0.68 -0.61 2.04 -1.97 -3.08 117.51 114.44 2qbk h ILE 23 Ca 0.00 -0.44 0.13 0.00 1.00 0.00 0.00 64.86 65.56 2qbk h ILE 23 Cb 0.00 -0.16 -0.13 0.00 -0.74 0.00 0.00 36.82 35.79 2qbk h ILE 23 CO 0.00 0.23 -0.19 1.23 0.00 0.00 0.00 178.15 179.42 2qbk h GLY 24 N 1.27 0.42 1.31 5.37 0.00 -1.99 0.38 103.07 109.82 2qbk h GLY 24 Ca 0.36 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.94 2qbk h GLY 24 CO -0.09 -0.26 0.01 -1.14 0.00 0.00 0.00 176.54 175.06 2qbk n SER 25 N -5.46 0.00 0.00 0.19 3.41 -1.16 -4.73 113.62 105.86 2qbk n SER 25 Ca 0.08 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2qbk n SER 25 Cb 0.36 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2qbk n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbk n GLY 26 N -1.16 0.08 2.51 5.00 0.00 0.13 -4.77 105.19 106.98 2qbk n GLY 26 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2qbk n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbk n LEU 27 N 0.00 2.15 0.00 0.99 4.77 -1.26 -4.85 117.00 118.80 2qbk n LEU 27 Ca 0.00 -4.65 0.00 0.00 -0.03 0.00 0.00 56.01 51.33 2qbk n LEU 27 Cb 0.26 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2qbk n LEU 27 CO 0.00 2.02 0.00 0.61 -1.33 0.00 0.00 177.39 178.69 2qbk n GLY 28 N -0.04 -1.54 3.37 -0.72 0.00 -1.25 -0.58 105.19 104.43 2qbk n GLY 28 Ca 0.22 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 2qbk n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbk n LYS 29 N 0.00 0.26 -3.88 1.61 2.85 -1.26 -1.77 118.16 115.97 2qbk n LYS 29 Ca 0.00 0.11 -0.28 0.00 -1.05 0.00 0.00 58.31 57.09 2qbk n LYS 29 Cb 0.00 -1.47 0.02 0.00 -0.65 0.00 0.00 35.03 32.93 2qbk n LYS 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2qbk n THR 30 N -1.89 -2.74 0.00 0.58 -2.24 -1.26 -4.36 114.28 102.37 2qbk n THR 30 Ca 0.09 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2qbk n THR 30 Cb 0.49 -3.02 0.00 0.00 -2.10 0.00 0.00 70.33 65.70 2qbk n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbk n GLY 31 N -1.67 0.00 4.29 3.38 0.00 -0.73 0.14 105.19 110.61 2qbk n GLY 31 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 2qbk n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbk n GLY 32 N 0.00 -0.15 0.34 -0.02 0.00 -1.26 -4.84 105.19 99.26 2qbk n GLY 32 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.21 2qbk n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qbk n ARG 33 N -4.53 0.42 -0.14 1.61 1.85 0.12 -5.14 116.66 110.84 2qbk n ARG 33 Ca -0.30 -1.38 0.02 0.00 -1.00 0.00 0.00 57.85 55.20 2qbk n ARG 33 Cb 0.68 -0.77 -0.00 0.00 -1.05 0.00 0.00 32.46 31.32 2qbk n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qbk n GLY 34 N -0.38 -1.77 3.37 2.89 0.00 -1.26 -4.69 105.19 103.35 2qbk n GLY 34 Ca 0.04 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 2qbk n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qbk s HIS 35 N -0.37 3.07 0.28 1.61 3.76 -1.26 -4.87 115.29 117.51 2qbk s HIS 35 Ca 0.00 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 2qbk s HIS 35 Cb 0.00 -2.20 0.00 0.00 1.11 0.00 0.00 32.58 31.49 2qbk s HIS 35 CO 0.00 -0.49 0.00 1.63 -0.85 0.00 0.00 174.74 175.03 2qbk n LYS 36 N 4.86 -2.02 0.00 1.40 5.02 -1.26 -5.06 118.16 121.10 2qbk n LYS 36 Ca -0.16 1.44 0.00 0.00 -2.02 0.00 0.00 58.31 57.57 2qbk n LYS 36 Cb 0.50 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 2qbk n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qbk n GLY 37 N -3.31 2.76 0.32 0.72 0.00 -1.26 -4.63 105.19 99.79 2qbk n GLY 37 Ca -0.01 -1.81 0.01 0.00 0.00 0.00 0.00 46.02 44.21 2qbk n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2qbk h GLN 38 N 0.00 0.93 -0.11 1.61 4.15 -1.98 -0.48 115.11 119.23 2qbk h GLN 38 Ca 0.00 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.40 2qbk h GLN 38 Cb 0.00 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.47 2qbk h GLN 38 CO 0.00 0.62 0.43 0.87 -1.93 0.00 0.00 178.83 178.82 2qbk h LYS 39 N 0.96 0.00 -6.77 1.69 1.79 -1.90 -2.18 116.57 110.16 2qbk h LYS 39 Ca 0.38 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 58.36 2qbk h LYS 39 Cb 0.19 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 30.88 2qbk h LYS 39 CO -0.18 0.00 -0.03 -1.54 -1.08 0.00 0.00 179.45 176.62 2qbk s SER 40 N -4.48 4.84 0.25 0.86 1.04 -0.19 -4.27 113.70 111.75 2qbk s SER 40 Ca -0.03 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2qbk s SER 40 Cb 0.10 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2qbk s SER 40 CO 0.32 -1.55 0.00 0.54 0.98 0.00 0.00 173.24 173.53 2qbk n ARG 41 N -2.43 -1.79 -1.27 4.02 1.74 -1.26 -4.06 116.66 111.61 2qbk n ARG 41 Ca 0.17 1.38 -0.36 0.00 -0.77 0.00 0.00 57.85 58.27 2qbk n ARG 41 Cb 0.62 -1.71 0.08 0.00 -1.02 0.00 0.00 32.46 30.43 2qbk n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2qbk n SER 42 N -1.87 -0.44 0.00 0.55 3.41 -1.26 -0.27 113.62 113.74 2qbk n SER 42 Ca 0.00 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 2qbk n SER 42 Cb 0.19 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 2qbk n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbk n GLY 43 N 1.36 0.16 3.59 5.00 0.00 -1.26 -4.91 105.19 109.13 2qbk n GLY 43 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2qbk n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbk n GLY 44 N -2.00 -0.88 0.00 -0.02 0.00 0.63 -4.91 105.19 98.01 2qbk n GLY 44 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2qbk n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbk n GLY 45 N 0.70 2.78 3.90 -0.02 0.00 -0.82 -4.89 105.19 106.84 2qbk n GLY 45 Ca 0.10 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 2qbk n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qbk s VAL 46 N -1.28 3.00 0.02 1.61 -7.23 -1.26 -4.94 120.40 110.33 2qbk s VAL 46 Ca 0.00 0.22 -0.00 0.00 -1.81 0.00 0.00 61.98 60.39 2qbk s VAL 46 Cb 0.00 -3.30 0.01 0.00 0.56 0.00 0.00 36.38 33.64 2qbk s VAL 46 CO 0.00 -0.38 0.02 -2.11 -0.31 0.00 0.00 175.10 172.32 2qbk n ARG 47 N -3.03 -1.45 -3.08 4.82 1.85 -1.26 -4.98 116.66 109.53 2qbk n ARG 47 Ca 0.07 -0.03 -0.39 0.00 -1.00 0.00 0.00 57.85 56.50 2qbk n ARG 47 Cb 0.59 -0.03 -0.05 0.00 -1.05 0.00 0.00 32.46 31.91 2qbk n ARG 47 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2qbk s ARG 48 N -3.04 4.42 -1.42 2.89 3.52 -1.26 -4.17 118.95 119.89 2qbk s ARG 48 Ca 0.01 0.95 -0.02 0.00 -0.13 0.00 0.00 55.73 56.54 2qbk s ARG 48 Cb -0.00 -3.32 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 2qbk s ARG 48 CO 0.01 0.40 0.51 0.41 -0.81 0.00 0.00 175.30 175.83 2qbk n GLY 49 N 2.18 -0.26 3.10 8.12 0.00 -1.26 -4.91 105.19 112.17 2qbk n GLY 49 Ca -0.05 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2qbk n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qbk n PHE 50 N -4.39 4.16 -1.54 1.61 -0.00 -1.26 -4.81 117.46 111.24 2qbk n PHE 50 Ca -0.27 -3.81 -0.18 0.00 -0.00 0.00 0.00 57.45 53.19 2qbk n PHE 50 Cb 0.67 -1.28 -0.12 0.00 -0.00 0.00 0.00 39.48 38.75 2qbk n PHE 50 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2qbk n GLU 51 N 2.12 0.40 0.00 -4.13 1.02 -1.26 -4.55 120.64 114.23 2qbk n GLU 51 Ca 0.24 -0.52 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 2qbk n GLU 51 Cb 0.37 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.00 2qbk n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qbk n GLY 52 N 6.36 0.39 0.00 0.62 0.00 -1.26 -2.43 105.19 108.87 2qbk n GLY 52 Ca 0.54 0.61 0.00 0.00 0.00 0.00 0.00 46.02 47.17 2qbk n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbk n GLY 53 N 0.00 0.00 0.00 -0.02 0.00 -1.26 -5.11 105.19 98.79 2qbk n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbk n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbk n GLN 54 N -0.29 -0.42 -2.58 1.61 10.64 -1.02 -4.87 117.38 120.44 2qbk n GLN 54 Ca 0.00 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 2qbk n GLN 54 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.36 2qbk n GLN 54 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 2qbk s MET 55 N -1.58 4.01 1.00 2.61 -2.45 -1.26 -4.78 119.30 116.85 2qbk s MET 55 Ca 0.00 1.09 -0.13 0.00 -1.25 0.00 0.00 55.69 55.40 2qbk s MET 55 Cb 0.00 -3.78 0.11 0.00 1.25 0.00 0.00 34.83 32.40 2qbk s MET 55 CO 0.00 -0.99 0.60 -2.30 1.05 0.00 0.00 175.02 173.38 2qbk n PRO 56 N 7.05 -0.83 -0.17 4.11 -0.02 -1.26 -4.66 135.00 139.22 2qbk n PRO 56 Ca 0.13 -0.20 -0.08 0.00 -2.02 0.00 0.00 63.50 61.33 2qbk n PRO 56 Cb 0.47 -2.00 0.01 0.00 -0.02 0.00 0.00 33.50 31.96 2qbk n PRO 56 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qbk h LEU 57 N -1.88 0.67 -1.53 2.45 5.85 -1.95 -1.54 115.31 117.39 2qbk h LEU 57 Ca -0.47 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.10 2qbk h LEU 57 Cb 1.30 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2qbk h LEU 57 CO 0.38 0.63 0.00 0.00 -0.34 0.00 0.00 178.44 179.12 2qbk n TYR 58 N -4.58 0.00 0.04 1.25 0.18 -1.26 -3.26 117.16 109.52 2qbk n TYR 58 Ca 0.02 -0.15 0.00 0.00 1.88 0.00 0.00 57.90 59.65 2qbk n TYR 58 Cb 0.14 -0.12 0.00 0.00 -0.38 0.00 0.00 39.34 38.97 2qbk n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2qbk n ARG 59 N 0.49 0.00 0.00 -3.48 5.12 -0.62 -4.77 116.66 113.39 2qbk n ARG 59 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2qbk n ARG 59 Cb 0.21 -0.11 0.00 0.00 -1.16 0.00 0.00 32.46 31.41 2qbk n ARG 59 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2qbk n ARG 60 N -2.88 0.21 -3.94 5.56 0.00 -0.96 -4.50 116.66 110.16 2qbk n ARG 60 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.58 2qbk n ARG 60 Cb 0.00 -1.11 -0.17 0.00 -0.00 0.00 0.00 32.46 31.18 2qbk n ARG 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qbk s LEU 61 N 0.00 1.29 0.87 2.89 1.02 -1.22 -5.08 118.68 118.46 2qbk s LEU 61 Ca 0.00 -0.34 -0.13 0.00 0.02 0.00 0.00 54.13 53.68 2qbk s LEU 61 Cb 0.00 -0.91 0.06 0.00 0.02 0.00 0.00 46.19 45.36 2qbk s LEU 61 CO 0.00 -0.10 0.78 -2.65 0.02 0.00 0.00 176.35 174.40 2qbk n PRO 62 N 4.90 -0.11 -4.48 1.29 -0.02 -1.26 -4.97 135.00 130.35 2qbk n PRO 62 Ca -0.13 0.03 -0.33 0.00 -2.02 0.00 0.00 63.50 61.04 2qbk n PRO 62 Cb 0.50 -2.11 -0.14 0.00 -0.02 0.00 0.00 33.50 31.73 2qbk n PRO 62 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qbk s LYS 63 N -3.81 3.35 -1.09 -0.52 -2.85 -1.26 -5.06 119.74 108.50 2qbk s LYS 63 Ca 0.65 -0.68 -0.09 0.00 -1.00 0.00 0.00 55.97 54.85 2qbk s LYS 63 Cb -0.26 -2.73 0.27 0.00 -2.06 0.00 0.00 37.83 33.06 2qbk s LYS 63 CO 0.60 0.07 1.08 -0.59 0.10 0.00 0.00 175.35 176.61 2qbk s PHE 64 N 0.74 4.24 0.00 1.78 -0.12 -1.26 -5.04 117.98 118.32 2qbk s PHE 64 Ca -0.05 -2.71 0.00 0.00 -0.05 0.00 0.00 56.93 54.12 2qbk s PHE 64 Cb -0.15 -3.79 0.00 0.00 -0.63 0.00 0.00 43.02 38.45 2qbk s PHE 64 CO 0.02 -0.93 0.00 0.41 -0.05 0.00 0.00 175.22 174.66 2qbk n GLY 65 N 2.68 -2.92 0.03 1.99 0.00 -1.26 -5.01 105.19 100.71 2qbk n GLY 65 Ca 0.23 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2qbk n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qbk n PHE 66 N -1.26 0.00 -4.21 1.61 7.35 -1.26 -5.09 117.46 114.60 2qbk n PHE 66 Ca 0.00 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.50 2qbk n PHE 66 Cb 0.00 -1.25 -0.16 0.00 0.35 0.00 0.00 39.48 38.43 2qbk n PHE 66 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qbk s THR 67 N -0.75 0.55 0.07 -2.13 -4.23 -1.26 -5.06 115.64 102.84 2qbk s THR 67 Ca 0.00 -0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.23 2qbk s THR 67 Cb 0.00 -0.54 0.02 0.00 1.34 0.00 0.00 72.50 73.33 2qbk s THR 67 CO 0.00 0.21 0.61 -1.54 -0.54 0.00 0.00 174.62 173.35 2qbk n SER 68 N 3.68 -0.35 -0.98 3.99 3.41 -1.26 -4.72 113.62 117.40 2qbk n SER 68 Ca -0.22 0.69 -0.13 0.00 -0.26 0.00 0.00 58.87 58.96 2qbk n SER 68 Cb 0.53 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 2qbk n SER 68 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2qbk n ARG 69 N -4.53 -1.59 0.00 4.33 0.00 -1.26 -4.44 116.66 109.18 2qbk n ARG 69 Ca 0.02 0.94 0.00 0.00 -0.00 0.00 0.00 57.85 58.81 2qbk n ARG 69 Cb 0.13 -5.32 0.00 0.00 0.00 0.00 0.00 32.46 27.26 2qbk n ARG 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2qbk n LYS 70 N -1.23 0.00 0.31 -0.14 4.81 -1.26 -4.84 118.16 115.81 2qbk n LYS 70 Ca -0.13 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.48 2qbk n LYS 70 Cb 0.59 -0.10 0.88 0.00 0.02 0.00 0.00 35.03 36.42 2qbk n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbk h ALA 71 N 0.00 1.20 0.00 3.14 0.00 -1.93 0.51 119.26 122.18 2qbk h ALA 71 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2qbk h ALA 71 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qbk h ALA 71 CO 0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 179.25 178.74 2qbk h ALA 72 N 1.56 1.43 -0.40 0.00 0.00 -1.92 -1.22 119.26 118.72 2qbk h ALA 72 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2qbk h ALA 72 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2qbk h ALA 72 CO 0.00 0.38 0.00 0.44 0.00 0.00 0.00 179.25 180.07 2qbk n ILE 73 N -4.09 0.52 -3.85 0.00 -5.35 0.18 -4.85 119.36 101.91 2qbk n ILE 73 Ca -0.02 -0.64 -0.35 0.00 -0.27 0.00 0.00 62.75 61.47 2qbk n ILE 73 Cb 0.36 0.59 -0.08 0.00 -1.74 0.00 0.00 39.64 38.77 2qbk n ILE 73 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2qbk s THR 74 N -1.48 5.22 0.44 7.28 2.01 -0.46 -0.19 115.64 128.45 2qbk s THR 74 Ca 0.36 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.54 2qbk s THR 74 Cb 0.20 -3.35 0.06 0.00 0.01 0.00 0.00 72.50 69.42 2qbk s THR 74 CO 0.28 0.48 0.51 0.00 -0.69 0.00 0.00 174.62 175.20 2qbk n ALA 75 N 3.22 0.85 -3.48 7.40 0.00 0.17 -4.96 120.51 123.71 2qbk n ALA 75 Ca -0.17 -1.65 -0.27 0.00 0.00 0.00 0.00 53.44 51.34 2qbk n ALA 75 Cb 0.53 0.54 -0.13 0.00 0.00 0.00 0.00 19.45 20.38 2qbk n ALA 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2qbk s GLU 76 N -3.93 0.37 0.58 0.00 2.12 -1.26 -3.61 118.70 112.98 2qbk s GLU 76 Ca 0.39 -0.85 -0.17 0.00 0.36 0.00 0.00 54.97 54.70 2qbk s GLU 76 Cb -0.03 -1.15 -0.04 0.00 0.26 0.00 0.00 34.13 33.17 2qbk s GLU 76 CO 0.25 -1.11 1.08 0.42 -0.54 0.00 0.00 175.26 175.35 2qbk s ILE 77 N 1.66 3.57 0.01 -3.70 1.01 0.13 -4.98 121.20 118.89 2qbk s ILE 77 Ca 0.13 0.81 0.06 0.00 0.00 0.00 0.00 60.65 61.66 2qbk s ILE 77 Cb -0.19 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 2qbk s ILE 77 CO -0.19 -0.37 -0.19 -0.13 0.00 0.00 0.00 174.94 174.07 2qbk s ARG 78 N -3.81 1.43 0.54 2.79 0.52 -1.19 -3.99 118.95 115.25 2qbk s ARG 78 Ca 0.66 -0.75 0.30 0.00 -0.52 0.00 0.00 55.73 55.42 2qbk s ARG 78 Cb -0.18 -1.43 1.46 0.00 0.52 0.00 0.00 34.95 35.31 2qbk s ARG 78 CO 0.33 0.38 1.92 -0.07 0.02 0.00 0.00 175.30 177.88 2qbk h LEU 79 N 5.40 0.00 -1.50 2.53 3.38 -1.71 0.40 115.31 123.81 2qbk h LEU 79 Ca -0.39 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.65 2qbk h LEU 79 Cb 1.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 2qbk h LEU 79 CO 0.47 0.00 0.42 0.77 0.09 0.00 0.00 178.44 180.19 2qbk h SER 80 N 0.00 0.53 0.00 -0.43 4.64 -1.91 -3.36 113.55 113.03 2qbk h SER 80 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2qbk h SER 80 Cb 1.51 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 2qbk h SER 80 CO -0.00 0.34 0.00 0.47 -0.87 0.00 0.00 176.83 176.77 2qbk n ASP 81 N -4.48 0.00 0.00 4.97 8.00 0.14 -4.36 116.55 120.83 2qbk n ASP 81 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2qbk n ASP 81 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 2qbk n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qbk n LEU 82 N 0.00 0.00 0.00 0.64 4.77 -1.26 -4.29 117.00 116.86 2qbk n LEU 82 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 2qbk n LEU 82 Cb 0.00 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.27 2qbk n LEU 82 CO 0.00 0.00 0.62 0.00 -1.33 0.00 0.00 177.39 176.68 2qbk n ALA 83 N 0.00 1.39 -0.83 -1.18 0.00 -1.26 -1.00 120.51 117.63 2qbk n ALA 83 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.48 2qbk n ALA 83 Cb 0.00 -1.13 0.09 0.00 0.00 0.00 0.00 19.45 18.41 2qbk n ALA 83 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qbk n LYS 84 N -1.48 1.65 -0.04 0.00 2.85 -1.26 -4.68 118.16 115.20 2qbk n LYS 84 Ca 0.02 -2.15 0.00 0.00 -1.05 0.00 0.00 58.31 55.14 2qbk n LYS 84 Cb 0.09 -1.28 0.02 0.00 -0.65 0.00 0.00 35.03 33.21 2qbk n LYS 84 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2qbk n VAL 85 N -1.07 0.20 -2.81 0.58 3.14 -0.17 -4.87 118.33 113.32 2qbk n VAL 85 Ca 0.10 -0.06 -0.06 0.00 -2.96 0.00 0.00 64.34 61.37 2qbk n VAL 85 Cb 0.53 -0.53 0.01 0.00 -1.06 0.00 0.00 33.84 32.79 2qbk n VAL 85 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2qbk n GLU 86 N 0.06 -2.74 0.00 1.45 4.07 -1.26 -4.66 120.64 117.56 2qbk n GLU 86 Ca 0.01 2.34 0.00 0.00 -0.06 0.00 0.00 57.16 59.45 2qbk n GLU 86 Cb 0.31 -5.59 0.00 0.00 -0.06 0.00 0.00 31.44 26.11 2qbk n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qbk n GLY 87 N 0.01 0.78 0.00 8.31 0.00 -1.26 -4.89 105.19 108.14 2qbk n GLY 87 Ca 0.08 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2qbk n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbk n GLY 88 N 0.00 4.36 2.59 -0.02 0.00 -1.26 -4.89 105.19 105.96 2qbk n GLY 88 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2qbk n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qbk n VAL 89 N 0.00 -1.04 -2.68 1.61 3.14 -1.24 -4.78 118.33 113.35 2qbk n VAL 89 Ca 0.00 0.11 -0.43 0.00 -2.96 0.00 0.00 64.34 61.05 2qbk n VAL 89 Cb 0.00 -2.17 0.00 0.00 -1.06 0.00 0.00 33.84 30.61 2qbk n VAL 89 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2qbk n VAL 90 N 1.98 4.12 -0.82 1.55 0.31 -0.79 -4.77 118.33 119.91 2qbk n VAL 90 Ca 0.00 -4.38 -0.32 0.00 -0.01 0.00 0.00 64.34 59.62 2qbk n VAL 90 Cb 0.11 -2.43 0.14 0.00 -0.91 0.00 0.00 33.84 30.75 2qbk n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qbk n ASP 91 N 6.30 -0.42 -0.33 4.52 -0.08 -1.25 0.79 116.55 126.07 2qbk n ASP 91 Ca 0.42 0.43 0.19 0.00 -1.51 0.00 0.00 54.79 54.32 2qbk n ASP 91 Cb 0.43 -1.38 0.40 0.00 2.34 0.00 0.00 41.12 42.91 2qbk n ASP 91 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2qbk h LEU 92 N -1.55 0.53 0.00 -2.67 -0.00 -0.67 -3.38 115.31 107.58 2qbk h LEU 92 Ca -0.44 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 2qbk h LEU 92 Cb 1.28 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 2qbk h LEU 92 CO 0.40 -0.01 0.00 -0.46 -0.00 0.00 0.00 178.44 178.37 2qbk n ASN 93 N -4.99 0.00 0.00 0.17 6.94 -1.26 -4.81 115.26 111.32 2qbk n ASN 93 Ca 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.84 2qbk n ASN 93 Cb 0.81 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.23 2qbk n ASN 93 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2qbk n THR 94 N 0.00 0.00 -0.34 5.53 -1.04 -1.26 -3.58 114.28 113.59 2qbk n THR 94 Ca 0.00 0.00 0.33 0.00 -2.04 0.00 0.00 64.05 62.34 2qbk n THR 94 Cb 0.00 0.00 0.69 0.00 -1.82 0.00 0.00 70.33 69.20 2qbk n THR 94 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qbk h LEU 95 N 0.00 0.12 0.05 -4.42 4.07 -1.87 1.27 115.31 114.53 2qbk h LEU 95 Ca 0.00 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 2qbk h LEU 95 Cb 0.00 0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.75 2qbk h LEU 95 CO 0.00 0.01 -0.02 0.11 -1.08 0.00 0.00 178.44 177.46 2qbk h LYS 96 N 0.10 -0.07 0.00 1.13 1.57 -1.90 0.08 116.57 117.49 2qbk h LYS 96 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 2qbk h LYS 96 Cb 2.15 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.47 2qbk h LYS 96 CO -0.10 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.84 2qbk n ALA 97 N -2.18 2.57 -0.24 3.86 0.00 0.37 -2.00 120.51 122.89 2qbk n ALA 97 Ca -0.08 -0.18 0.07 0.00 0.00 0.00 0.00 53.44 53.25 2qbk n ALA 97 Cb 0.10 -1.46 0.19 0.00 0.00 0.00 0.00 19.45 18.28 2qbk n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk n ALA 98 N -0.99 2.24 -2.98 0.00 0.00 0.26 -5.03 120.51 114.00 2qbk n ALA 98 Ca 0.21 -1.20 -0.07 0.00 0.00 0.00 0.00 53.44 52.38 2qbk n ALA 98 Cb 0.10 -0.55 0.01 0.00 0.00 0.00 0.00 19.45 19.01 2qbk n ALA 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbk n ASN 99 N 0.74 -7.28 0.00 0.00 4.13 -0.19 -4.93 115.26 107.73 2qbk n ASN 99 Ca 0.15 0.77 0.00 0.00 1.68 0.00 0.00 54.58 57.17 2qbk n ASN 99 Cb 0.48 -3.81 0.00 0.00 -1.54 0.00 0.00 39.78 34.91 2qbk n ASN 99 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbk n ILE 100 N 0.56 0.00 0.00 2.41 3.06 -1.04 -5.00 119.36 119.36 2qbk n ILE 100 Ca 0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 2qbk n ILE 100 Cb 0.32 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.50 2qbk n ILE 100 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 2qbk n ILE 101 N 0.00 0.00 0.00 9.51 2.08 -1.25 -4.93 119.36 124.77 2qbk n ILE 101 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2qbk n ILE 101 Cb 0.00 -0.30 0.00 0.00 -0.75 0.00 0.00 39.64 38.59 2qbk n ILE 101 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qbk n GLY 102 N 2.49 3.36 0.57 7.39 0.00 -1.26 -4.85 105.19 112.90 2qbk n GLY 102 Ca 0.00 -0.32 0.42 0.00 0.00 0.00 0.00 46.02 46.12 2qbk n GLY 102 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qbk h ILE 103 N 0.00 0.18 0.00 -0.61 5.03 -1.99 0.45 117.51 120.57 2qbk h ILE 103 Ca 0.00 -0.02 -0.07 0.00 -0.12 0.00 0.00 64.86 64.65 2qbk h ILE 103 Cb 0.00 0.12 -0.01 0.00 -3.03 0.00 0.00 36.82 33.90 2qbk h ILE 103 CO 0.00 0.01 -0.65 1.56 -0.68 0.00 0.00 178.15 178.39 2qbk h GLN 104 N 0.05 0.00 -6.93 2.37 1.08 -1.97 -3.47 115.11 106.24 2qbk h GLN 104 Ca 0.79 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 57.44 2qbk h GLN 104 Cb 2.86 0.00 0.19 0.00 -0.05 0.00 0.00 27.48 30.49 2qbk h GLN 104 CO -0.16 0.25 -0.14 -0.89 -0.95 0.00 0.00 178.83 176.94 2qbk n ILE 105 N -3.03 1.23 0.00 2.54 2.08 0.16 -4.85 119.36 117.49 2qbk n ILE 105 Ca -0.00 -0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.07 2qbk n ILE 105 Cb 0.67 -0.89 0.00 0.00 -0.75 0.00 0.00 39.64 38.67 2qbk n ILE 105 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2qbk n GLU 106 N -2.18 0.00 -4.59 0.38 1.02 0.73 -4.99 120.64 111.01 2qbk n GLU 106 Ca 0.10 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.93 2qbk n GLU 106 Cb 0.51 -0.32 -0.12 0.00 -0.02 0.00 0.00 31.44 31.49 2qbk n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2qbk s PHE 107 N -1.25 2.65 0.10 -0.32 0.08 -1.11 -5.00 117.98 113.12 2qbk s PHE 107 Ca 0.00 -0.20 -0.25 0.00 0.12 0.00 0.00 56.93 56.60 2qbk s PHE 107 Cb 0.00 -1.50 0.08 0.00 -0.57 0.00 0.00 43.02 41.03 2qbk s PHE 107 CO 0.00 0.29 0.71 0.00 -0.10 0.00 0.00 175.22 176.12 2qbk s ALA 108 N -0.95 -1.68 0.21 5.36 0.00 -1.26 0.44 121.76 123.87 2qbk s ALA 108 Ca 0.16 0.70 0.10 0.00 0.00 0.00 0.00 51.96 52.91 2qbk s ALA 108 Cb -0.11 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 2qbk s ALA 108 CO 0.06 -0.73 -0.13 0.15 0.00 0.00 0.00 175.76 175.11 2qbk s LYS 109 N -3.47 1.91 -0.06 0.00 -0.14 -1.24 -3.36 119.74 113.38 2qbk s LYS 109 Ca 0.02 -1.44 -0.22 0.00 -1.36 0.00 0.00 55.97 52.97 2qbk s LYS 109 Cb -0.01 -2.02 -0.18 0.00 -1.68 0.00 0.00 37.83 33.94 2qbk s LYS 109 CO -0.11 0.40 0.90 0.28 -0.76 0.00 0.00 175.35 176.05 2qbk h VAL 110 N 2.64 1.06 -3.93 3.17 2.07 -1.70 0.42 116.25 119.97 2qbk h VAL 110 Ca -0.45 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 65.76 2qbk h VAL 110 Cb 1.22 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 2qbk h VAL 110 CO 0.55 0.28 -0.99 -0.38 0.02 0.00 0.00 177.57 177.05 2qbk n ILE 111 N -4.86 -4.25 -3.15 4.57 2.08 -1.26 -3.17 119.36 109.33 2qbk n ILE 111 Ca -0.08 2.01 -0.39 0.00 0.56 0.00 0.00 62.75 64.85 2qbk n ILE 111 Cb 0.28 -3.01 -0.05 0.00 -0.75 0.00 0.00 39.64 36.11 2qbk n ILE 111 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2qbk s LEU 112 N -4.59 4.25 -0.08 1.39 0.20 -1.26 -3.14 118.68 115.46 2qbk s LEU 112 Ca 0.00 0.97 0.01 0.00 0.69 0.00 0.00 54.13 55.80 2qbk s LEU 112 Cb 0.00 -2.91 -0.05 0.00 -0.43 0.00 0.00 46.19 42.80 2qbk s LEU 112 CO 0.00 -0.13 -0.06 0.00 -0.29 0.00 0.00 176.35 175.86 2qbk n ALA 113 N 4.16 1.83 0.00 5.97 0.00 -1.26 -4.74 120.51 126.47 2qbk n ALA 113 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2qbk n ALA 113 Cb 0.51 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.27 2qbk n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbk n GLY 114 N 3.09 0.46 3.13 0.00 0.00 -1.26 -4.89 105.19 105.72 2qbk n GLY 114 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 2qbk n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qbk s GLU 115 N 0.00 0.75 0.00 1.61 8.01 -1.26 -4.95 118.70 122.86 2qbk s GLU 115 Ca 0.00 -1.27 0.00 0.00 0.01 0.00 0.00 54.97 53.71 2qbk s GLU 115 Cb 0.00 0.24 0.00 0.00 -4.31 0.00 0.00 34.13 30.06 2qbk s GLU 115 CO 0.00 -0.18 0.00 1.55 0.01 0.00 0.00 175.26 176.64 2qbk n VAL 116 N 0.02 0.00 0.00 2.63 3.14 -1.26 -4.33 118.33 118.53 2qbk n VAL 116 Ca -0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 2qbk n VAL 116 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 2qbk n VAL 116 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2qbk n THR 117 N -0.67 0.00 -2.41 1.55 -1.04 -1.26 -4.78 114.28 105.67 2qbk n THR 117 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2qbk n THR 117 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 2qbk n THR 117 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2qbk s THR 118 N 0.00 4.05 0.13 12.58 -1.32 -1.26 -4.78 115.64 125.03 2qbk s THR 118 Ca 0.00 1.45 -0.31 0.00 -1.21 0.00 0.00 61.69 61.62 2qbk s THR 118 Cb 0.00 -3.93 -0.10 0.00 -1.51 0.00 0.00 72.50 66.95 2qbk s THR 118 CO 0.00 0.08 1.84 -2.84 -2.21 0.00 0.00 174.62 171.49 2qbk s PRO 119 N 1.42 4.13 0.14 7.08 0.02 -1.12 -4.93 135.00 141.74 2qbk s PRO 119 Ca 0.59 2.61 0.05 0.00 0.02 0.00 0.00 61.00 64.27 2qbk s PRO 119 Cb -0.29 -3.58 -0.04 0.00 0.02 0.00 0.00 34.50 30.61 2qbk s PRO 119 CO 0.27 -0.85 -0.11 0.08 -0.33 0.00 0.00 177.00 176.06 2qbk s VAL 120 N 2.72 1.23 -0.52 3.83 1.01 -1.23 -4.97 120.40 122.47 2qbk s VAL 120 Ca 0.81 -1.95 0.04 0.00 0.00 0.00 0.00 61.98 60.88 2qbk s VAL 120 Cb -0.46 -1.73 0.14 0.00 0.00 0.00 0.00 36.38 34.32 2qbk s VAL 120 CO 0.36 -0.64 0.29 0.42 0.00 0.00 0.00 175.10 175.53 2qbk s THR 121 N -2.92 2.28 0.29 3.92 -4.23 -1.26 -1.89 115.64 111.83 2qbk s THR 121 Ca 0.14 -3.24 -0.29 0.00 -1.18 0.00 0.00 61.69 57.12 2qbk s THR 121 Cb -0.00 -2.57 -0.13 0.00 1.34 0.00 0.00 72.50 71.14 2qbk s THR 121 CO 0.02 -0.86 1.33 1.33 -0.54 0.00 0.00 174.62 175.90 2qbk n VAL 122 N 3.06 1.52 -4.93 2.29 0.24 -0.97 -1.89 118.33 117.66 2qbk n VAL 122 Ca 0.08 -0.38 -0.26 0.00 -2.04 0.00 0.00 64.34 61.74 2qbk n VAL 122 Cb 0.33 -1.51 -0.15 0.00 -1.47 0.00 0.00 33.84 31.04 2qbk n VAL 122 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2qbk s ARG 123 N -1.19 1.57 -1.26 7.34 3.00 0.24 -2.15 118.95 126.49 2qbk s ARG 123 Ca 0.61 -0.69 -0.13 0.00 -1.00 0.00 0.00 55.73 54.53 2qbk s ARG 123 Cb -0.61 -1.51 -0.00 0.00 0.00 0.00 0.00 34.95 32.83 2qbk s ARG 123 CO 0.56 0.41 0.62 0.41 0.00 0.00 0.00 175.30 177.31 2qbk n GLY 124 N 2.62 -0.63 1.86 8.12 0.00 -1.26 -0.27 105.19 115.62 2qbk n GLY 124 Ca -0.15 0.31 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 2qbk n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbk n LEU 125 N -4.34 0.00 -4.68 0.99 4.77 -1.26 -3.49 117.00 108.99 2qbk n LEU 125 Ca -0.19 -1.40 -0.30 0.00 -0.03 0.00 0.00 56.01 54.09 2qbk n LEU 125 Cb 0.63 1.70 -0.09 0.00 -2.33 0.00 0.00 43.42 43.32 2qbk n LEU 125 CO 0.71 -0.40 -0.27 -0.13 -1.33 0.00 0.00 177.39 175.97 2qbk s ARG 126 N -2.21 2.06 -0.04 3.23 0.52 -1.21 -4.26 118.95 117.04 2qbk s ARG 126 Ca 0.11 -2.24 -0.29 0.00 -0.52 0.00 0.00 55.73 52.79 2qbk s ARG 126 Cb -0.02 -1.56 0.10 0.00 0.52 0.00 0.00 34.95 33.99 2qbk s ARG 126 CO 0.08 -0.20 0.82 0.54 0.02 0.00 0.00 175.30 176.57 2qbk s VAL 127 N -2.80 0.00 0.77 3.52 0.11 -1.26 -2.25 120.40 118.48 2qbk s VAL 127 Ca 0.22 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.15 2qbk s VAL 127 Cb 0.06 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.96 2qbk s VAL 127 CO 0.11 0.00 1.11 0.42 -3.33 0.00 0.00 175.10 173.41 2qbk s THR 128 N -2.08 3.09 -1.98 5.04 -4.23 -1.26 -4.87 115.64 109.35 2qbk s THR 128 Ca -0.02 0.35 0.32 0.00 -1.18 0.00 0.00 61.69 61.16 2qbk s THR 128 Cb -0.01 -3.22 0.89 0.00 1.34 0.00 0.00 72.50 71.51 2qbk s THR 128 CO -0.01 -0.46 2.22 2.29 -0.54 0.00 0.00 174.62 178.11 2qbk n LYS 129 N -3.28 0.99 -0.09 3.99 2.85 -1.26 -1.13 118.16 120.24 2qbk n LYS 129 Ca 0.07 -0.01 -0.09 0.00 -1.05 0.00 0.00 58.31 57.23 2qbk n LYS 129 Cb 0.57 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.33 2qbk n LYS 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2qbk n GLY 130 N 1.01 -0.72 0.00 2.58 0.00 -1.26 -4.25 105.19 102.55 2qbk n GLY 130 Ca 0.24 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.12 2qbk n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbk n ALA 131 N -2.69 3.86 -0.00 4.61 0.00 -1.17 -2.71 120.51 122.41 2qbk n ALA 131 Ca -0.28 -0.41 -0.13 0.00 0.00 0.00 0.00 53.44 52.62 2qbk n ALA 131 Cb 1.01 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 2qbk n ALA 131 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qbk h ARG 132 N 0.00 -0.06 0.00 0.00 2.43 -1.32 -0.93 114.38 114.50 2qbk h ARG 132 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2qbk h ARG 132 Cb 0.50 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2qbk h ARG 132 CO 0.00 0.50 -0.19 0.00 -1.51 0.00 0.00 179.97 178.77 2qbk h ALA 133 N 0.20 0.92 0.21 2.80 0.00 -1.74 -1.99 119.26 119.66 2qbk h ALA 133 Ca -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2qbk h ALA 133 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2qbk h ALA 133 CO 0.01 0.23 -0.10 0.00 0.00 0.00 0.00 179.25 179.39 2qbk h ALA 134 N 1.81 -0.28 -0.15 0.00 0.00 -1.45 0.45 119.26 119.65 2qbk h ALA 134 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2qbk h ALA 134 Cb 0.98 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2qbk h ALA 134 CO 0.02 -0.53 -0.02 0.97 0.00 0.00 0.00 179.25 179.70 2qbk h ILE 135 N -0.54 1.27 -0.42 0.00 2.10 -1.16 -2.50 117.51 116.25 2qbk h ILE 135 Ca -0.03 -0.91 0.07 0.00 1.08 0.00 0.00 64.86 65.07 2qbk h ILE 135 Cb 0.40 1.58 -0.02 0.00 -1.09 0.00 0.00 36.82 37.69 2qbk h ILE 135 CO 0.05 0.27 0.29 -0.33 -1.08 0.00 0.00 178.15 177.34 2qbk h GLU 136 N -0.01 0.28 -1.00 2.19 5.08 -1.36 0.12 114.58 119.88 2qbk h GLU 136 Ca 0.04 -0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.58 2qbk h GLU 136 Cb 0.41 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.50 2qbk h GLU 136 CO 0.01 0.18 0.61 0.00 -1.00 0.00 0.00 179.01 178.82 2qbk h ALA 137 N 1.78 1.77 -1.87 3.43 0.00 0.39 -1.64 119.26 123.13 2qbk h ALA 137 Ca 0.19 0.07 -0.70 0.00 0.00 0.00 0.00 54.91 54.48 2qbk h ALA 137 Cb 0.39 -0.07 -0.35 0.00 0.00 0.00 0.00 17.79 17.76 2qbk h ALA 137 CO -0.04 -0.15 0.13 0.00 0.00 0.00 0.00 179.25 179.20 2qbk n ALA 138 N -2.36 5.14 -3.83 0.00 0.00 0.21 -4.86 120.51 114.81 2qbk n ALA 138 Ca 0.23 -4.70 -0.29 0.00 0.00 0.00 0.00 53.44 48.68 2qbk n ALA 138 Cb 0.62 -1.47 0.01 0.00 0.00 0.00 0.00 19.45 18.60 2qbk n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbk n GLY 139 N 0.19 -0.60 3.91 0.00 0.00 -0.63 -2.78 105.19 105.29 2qbk n GLY 139 Ca 0.36 0.29 -0.28 0.00 0.00 0.00 0.00 46.02 46.39 2qbk n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qbk s GLY 140 N -3.92 1.77 -0.01 -0.02 0.00 -0.03 -3.57 107.32 101.54 2qbk s GLY 140 Ca 0.24 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.32 2qbk s GLY 140 CO 0.88 -0.57 -0.04 1.25 0.00 0.00 0.00 173.10 174.62 2qbk s LYS 141 N -3.62 0.46 -0.16 2.90 2.36 -0.79 -4.43 119.74 116.45 2qbk s LYS 141 Ca 0.42 -0.14 -0.05 0.00 -2.55 0.00 0.00 55.97 53.65 2qbk s LYS 141 Cb -0.11 -0.47 -0.03 0.00 -1.05 0.00 0.00 37.83 36.17 2qbk s LYS 141 CO 0.31 0.05 -0.00 0.42 1.55 0.00 0.00 175.35 177.68 2qbk s ILE 142 N 0.16 4.20 0.00 5.43 1.09 -1.26 -2.28 121.20 128.54 2qbk s ILE 142 Ca -0.01 -0.25 0.00 0.00 -1.10 0.00 0.00 60.65 59.29 2qbk s ILE 142 Cb -0.05 -2.86 0.00 0.00 -1.06 0.00 0.00 42.46 38.49 2qbk s ILE 142 CO -0.00 0.49 0.17 -1.84 -0.10 0.00 0.00 174.94 173.65 2qbk n GLU 143 N 3.48 0.00 -0.69 2.79 0.00 -0.91 -5.00 120.64 120.31 2qbk n GLU 143 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.99 2qbk n GLU 143 Cb 0.52 -0.66 0.00 0.00 0.00 0.00 0.00 31.44 31.31 2qbk n GLU 143 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22