#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kq8 s ILE 2 N 0.00 1.95 -0.03 1.12 -4.36 -1.26 -4.89 121.20 113.73 2kq8 s ILE 2 Ca 0.00 -1.52 0.04 0.00 -0.26 0.00 0.00 60.65 58.91 2kq8 s ILE 2 Cb 0.00 -2.13 0.07 0.00 1.25 0.00 0.00 42.46 41.65 2kq8 s ILE 2 CO 0.00 -0.08 0.94 0.61 0.24 0.00 0.00 174.94 176.66 2kq8 n GLY 3 N 4.51 2.14 3.49 6.27 0.00 -1.26 -5.01 105.19 115.33 2kq8 n GLY 3 Ca -0.13 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 2kq8 n GLY 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kq8 s ASP 4 N -1.26 6.16 -0.52 1.61 1.11 -1.26 -4.99 116.67 117.53 2kq8 s ASP 4 Ca 0.07 -0.66 0.04 0.00 0.18 0.00 0.00 52.55 52.18 2kq8 s ASP 4 Cb 0.07 -2.20 0.16 0.00 1.07 0.00 0.00 42.92 42.02 2kq8 s ASP 4 CO 0.01 -0.49 0.37 -0.31 1.18 0.00 0.00 175.17 175.93 2kq8 s TYR 5 N 1.96 2.10 0.01 4.23 2.02 -1.26 -4.84 117.35 121.58 2kq8 s TYR 5 Ca 0.10 -2.67 -0.25 0.00 -0.37 0.00 0.00 57.07 53.88 2kq8 s TYR 5 Cb -0.18 -1.72 0.06 0.00 -0.40 0.00 0.00 41.96 39.72 2kq8 s TYR 5 CO 0.12 -0.72 0.56 -0.47 -1.57 0.00 0.00 175.55 173.47 2kq8 s TYR 6 N -0.37 -0.49 0.00 2.71 5.04 -1.26 -4.82 117.35 118.16 2kq8 s TYR 6 Ca 0.27 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 2kq8 s TYR 6 Cb -0.06 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.61 2kq8 s TYR 6 CO -0.14 -0.62 0.00 -0.89 -1.34 0.00 0.00 175.55 172.56 2kq8 n ILE 7 N 0.63 0.00 0.04 3.14 5.41 -1.26 -2.96 119.36 124.36 2kq8 n ILE 7 Ca -0.19 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.34 2kq8 n ILE 7 Cb 0.59 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.38 2kq8 n ILE 7 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2kq8 h ASN 8 N 0.00 0.48 0.00 4.38 4.21 -1.91 -3.51 115.58 119.24 2kq8 h ASN 8 Ca 0.00 -0.90 0.00 0.00 1.21 0.00 0.00 56.30 56.61 2kq8 h ASN 8 Cb 0.00 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.04 2kq8 h ASN 8 CO 0.00 1.70 0.00 0.00 -1.29 0.00 0.00 177.43 177.84 2kq8 n ALA 9 N -2.92 0.00 0.60 -0.83 0.00 -1.15 -3.81 120.51 112.39 2kq8 n ALA 9 Ca -0.25 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.30 2kq8 n ALA 9 Cb 0.98 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.89 2kq8 n ALA 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kq8 n SER 10 N -1.88 0.46 -4.48 0.00 2.88 -1.26 -4.71 113.62 104.63 2kq8 n SER 10 Ca 0.00 0.58 -0.24 0.00 -1.33 0.00 0.00 58.87 57.87 2kq8 n SER 10 Cb 0.00 -0.69 -0.10 0.00 -0.75 0.00 0.00 64.21 62.67 2kq8 n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kq8 s ALA 11 N -3.13 2.77 -1.41 -1.46 0.00 -1.25 -4.73 121.76 112.55 2kq8 s ALA 11 Ca 0.08 -1.90 -0.09 0.00 0.00 0.00 0.00 51.96 50.05 2kq8 s ALA 11 Cb 0.12 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 23.04 2kq8 s ALA 11 CO 0.45 0.26 1.03 1.28 0.00 0.00 0.00 175.76 178.78 2kq8 n LEU 12 N -0.64 -3.07 0.08 0.00 4.77 -1.26 -4.82 117.00 112.07 2kq8 n LEU 12 Ca -0.05 -0.68 -0.13 0.00 -0.03 0.00 0.00 56.01 55.12 2kq8 n LEU 12 Cb 0.60 -2.80 -0.08 0.00 -2.33 0.00 0.00 43.42 38.81 2kq8 n LEU 12 CO 0.39 0.52 0.57 0.78 -1.33 0.00 0.00 177.39 178.32 2kq8 h ASN 13 N -2.28 -0.20 -0.73 -1.43 2.35 -1.54 -3.27 115.58 108.49 2kq8 h ASN 13 Ca -0.58 -0.29 -0.40 0.00 -0.55 0.00 0.00 56.30 54.49 2kq8 h ASN 13 Cb 1.37 0.05 -0.14 0.00 0.05 0.00 0.00 38.32 39.65 2kq8 h ASN 13 CO 0.60 0.21 0.21 0.52 -1.65 0.00 0.00 177.43 177.32 2kq8 n VAL 14 N -5.01 3.15 -0.11 2.81 0.31 -0.13 -4.67 118.33 114.69 2kq8 n VAL 14 Ca -0.09 -2.44 0.00 0.00 -0.01 0.00 0.00 64.34 61.81 2kq8 n VAL 14 Cb 0.24 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 2kq8 n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2kq8 n ARG 15 N 1.20 0.74 -3.35 5.55 5.12 -1.19 -2.63 116.66 122.10 2kq8 n ARG 15 Ca 0.44 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 56.19 2kq8 n ARG 15 Cb 0.64 -1.13 0.01 0.00 -1.16 0.00 0.00 32.46 30.82 2kq8 n ARG 15 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2kq8 n SER 16 N 1.39 -6.40 0.00 0.55 7.64 -1.24 -3.38 113.62 112.18 2kq8 n SER 16 Ca 0.00 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.61 2kq8 n SER 16 Cb 0.37 -3.40 0.00 0.00 -1.01 0.00 0.00 64.21 60.17 2kq8 n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kq8 n GLY 17 N -1.15 0.99 2.12 0.23 0.00 0.91 -1.24 105.19 107.05 2kq8 n GLY 17 Ca -0.10 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 2kq8 n GLY 17 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kq8 n GLU 18 N 0.00 3.10 -0.45 1.61 2.13 -1.26 -1.71 120.64 124.06 2kq8 n GLU 18 Ca 0.00 -3.72 0.00 0.00 0.66 0.00 0.00 57.16 54.10 2kq8 n GLU 18 Cb 0.00 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.45 2kq8 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kq8 n GLY 19 N -0.83 0.83 0.06 8.31 0.00 -1.25 -5.02 105.19 107.28 2kq8 n GLY 19 Ca 0.52 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 2kq8 n GLY 19 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kq8 h THR 20 N 0.00 0.00 -0.72 2.61 2.02 -1.74 -3.39 112.91 111.69 2kq8 h THR 20 Ca 0.00 -0.87 -0.45 0.00 0.77 0.00 0.00 66.41 65.86 2kq8 h THR 20 Cb 0.05 0.00 -0.26 0.00 -1.74 0.00 0.00 68.15 66.20 2kq8 h THR 20 CO 0.00 0.00 0.13 0.59 0.37 0.00 0.00 175.52 176.61 2kq8 n ASN 21 N -4.34 4.63 0.23 4.18 4.13 -0.37 -4.82 115.26 118.89 2kq8 n ASN 21 Ca -0.04 -3.76 0.16 0.00 1.68 0.00 0.00 54.58 52.62 2kq8 n ASN 21 Cb 0.16 -0.70 0.67 0.00 -1.54 0.00 0.00 39.78 38.37 2kq8 n ASN 21 CO 0.00 0.00 0.00 0.10 0.28 0.00 0.00 177.26 177.64 2kq8 h TYR 22 N 1.53 0.00 -0.62 3.10 -0.00 -1.61 -1.56 116.97 117.81 2kq8 h TYR 22 Ca 0.43 0.00 0.04 0.00 -0.00 0.00 0.00 58.73 59.20 2kq8 h TYR 22 Cb 1.59 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 38.29 2kq8 h TYR 22 CO 1.20 0.00 0.41 -0.09 -0.00 0.00 0.00 178.16 179.68 2kq8 h ARG 23 N 0.00 0.67 0.33 0.10 2.43 -1.87 -3.28 114.38 112.76 2kq8 h ARG 23 Ca 0.09 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2kq8 h ARG 23 Cb 1.10 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2kq8 h ARG 23 CO -0.00 0.44 -0.16 0.82 -1.51 0.00 0.00 179.97 179.57 2kq8 h ILE 24 N 0.69 0.44 -3.27 1.20 2.04 -1.65 -3.46 117.51 113.50 2kq8 h ILE 24 Ca 0.25 -0.76 -0.42 0.00 1.00 0.00 0.00 64.86 64.93 2kq8 h ILE 24 Cb 0.14 0.70 -0.16 0.00 -0.74 0.00 0.00 36.82 36.76 2kq8 h ILE 24 CO -0.07 0.10 -0.74 -0.63 0.00 0.00 0.00 178.15 176.80 2kq8 s ILE 25 N -3.75 1.50 0.00 -0.67 1.01 -1.24 -5.06 121.20 113.00 2kq8 s ILE 25 Ca -0.11 -1.98 0.00 0.00 0.00 0.00 0.00 60.65 58.56 2kq8 s ILE 25 Cb 0.01 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.67 2kq8 s ILE 25 CO 0.40 -0.53 0.00 0.61 0.00 0.00 0.00 174.94 175.42 2kq8 n GLY 26 N 0.05 -0.53 0.00 6.18 0.00 -1.08 -3.61 105.19 106.20 2kq8 n GLY 26 Ca -0.12 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2kq8 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kq8 n ALA 27 N -1.31 0.00 -2.99 4.61 0.00 -1.26 -0.95 120.51 118.61 2kq8 n ALA 27 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 2kq8 n ALA 27 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2kq8 n ALA 27 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2kq8 s LEU 28 N 0.00 5.32 0.00 0.00 2.96 -1.26 -3.82 118.68 121.88 2kq8 s LEU 28 Ca 0.00 -2.14 0.28 0.00 -0.22 0.00 0.00 54.13 52.04 2kq8 s LEU 28 Cb 0.00 -2.37 1.00 0.00 0.50 0.00 0.00 46.19 45.32 2kq8 s LEU 28 CO 0.00 -0.99 1.73 -0.81 -1.32 0.00 0.00 176.35 174.97 2kq8 n PRO 29 N 6.14 0.39 -0.93 0.98 -0.04 -1.26 -5.05 135.00 135.23 2kq8 n PRO 29 Ca 0.22 -0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 2kq8 n PRO 29 Cb 0.49 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 2kq8 n PRO 29 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2kq8 n GLN 30 N -1.17 -2.08 -1.33 0.54 7.27 -1.26 -4.33 117.38 115.02 2kq8 n GLN 30 Ca 0.10 1.62 -0.39 0.00 0.07 0.00 0.00 57.00 58.40 2kq8 n GLN 30 Cb 0.31 -2.46 -0.03 0.00 2.41 0.00 0.00 30.24 30.47 2kq8 n GLN 30 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kq8 n GLY 31 N -3.61 3.52 0.12 1.69 0.00 -1.26 -4.69 105.19 100.96 2kq8 n GLY 31 Ca -0.04 -1.36 -0.05 0.00 0.00 0.00 0.00 46.02 44.57 2kq8 n GLY 31 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kq8 h GLN 32 N 6.65 -0.28 0.00 1.61 1.08 -2.03 -3.45 115.11 118.69 2kq8 h GLN 32 Ca 0.54 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.76 2kq8 h GLN 32 Cb 0.55 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2kq8 h GLN 32 CO 1.85 -0.19 -0.00 1.17 -0.95 0.00 0.00 178.83 180.71 2kq8 n LYS 33 N -2.89 0.00 -2.56 1.46 0.00 -1.26 -5.05 118.16 107.86 2kq8 n LYS 33 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 57.84 2kq8 n LYS 33 Cb 0.12 -0.50 -0.02 0.00 0.00 0.00 0.00 35.03 34.63 2kq8 n LYS 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2kq8 s VAL 34 N -1.00 4.37 -0.04 3.15 0.11 -1.26 -4.86 120.40 120.86 2kq8 s VAL 34 Ca 0.00 1.57 0.06 0.00 -2.93 0.00 0.00 61.98 60.68 2kq8 s VAL 34 Cb 0.00 -4.32 0.10 0.00 -1.53 0.00 0.00 36.38 30.62 2kq8 s VAL 34 CO 0.00 -0.49 1.01 0.00 -3.33 0.00 0.00 175.10 172.29 2kq8 n GLN 35 N 7.04 2.01 -1.09 1.54 0.00 -1.26 -4.62 117.38 121.01 2kq8 n GLN 35 Ca 0.13 -1.74 0.00 0.00 0.00 0.00 0.00 57.00 55.39 2kq8 n GLN 35 Cb 0.47 -1.10 0.00 0.00 0.00 0.00 0.00 30.24 29.61 2kq8 n GLN 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2kq8 n VAL 36 N -0.74 -5.84 0.01 -0.39 0.31 -1.26 -4.95 118.33 105.46 2kq8 n VAL 36 Ca 0.05 1.13 -0.13 0.00 -0.01 0.00 0.00 64.34 65.38 2kq8 n VAL 36 Cb 0.42 -3.31 -0.10 0.00 -0.91 0.00 0.00 33.84 29.94 2kq8 n VAL 36 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2kq8 h ILE 37 N 1.42 1.26 -1.61 2.52 2.04 -1.71 -3.48 117.51 117.96 2kq8 h ILE 37 Ca 0.00 -1.13 0.08 0.00 1.00 0.00 0.00 64.86 64.81 2kq8 h ILE 37 Cb 0.00 1.99 -0.22 0.00 -0.74 0.00 0.00 36.82 37.85 2kq8 h ILE 37 CO 0.00 0.28 0.54 -0.94 0.00 0.00 0.00 178.15 178.03 2kq8 s SER 38 N -5.62 -0.37 -0.17 1.72 1.04 -1.24 -5.05 113.70 104.01 2kq8 s SER 38 Ca -0.15 0.38 -0.19 0.00 0.48 0.00 0.00 55.95 56.46 2kq8 s SER 38 Cb 0.01 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 2kq8 s SER 38 CO 0.63 -0.36 0.55 -1.61 0.98 0.00 0.00 173.24 173.43 2kq8 s GLU 39 N -1.24 4.25 0.61 4.02 8.01 -1.26 -1.38 118.70 131.70 2kq8 s GLU 39 Ca -0.01 0.51 0.07 0.00 0.01 0.00 0.00 54.97 55.54 2kq8 s GLU 39 Cb -0.00 -3.53 0.09 0.00 -4.31 0.00 0.00 34.13 26.38 2kq8 s GLU 39 CO 0.01 -0.08 0.84 -0.80 0.01 0.00 0.00 175.26 175.24 2kq8 s ASN 40 N 1.01 4.92 -0.79 -0.19 0.02 0.22 -4.95 114.94 115.18 2kq8 s ASN 40 Ca 0.27 -0.68 -0.27 0.00 -1.02 0.00 0.00 52.86 51.16 2kq8 s ASN 40 Cb -0.16 0.14 -0.25 0.00 0.02 0.00 0.00 41.25 41.01 2kq8 s ASN 40 CO 0.11 -1.45 1.93 -1.54 0.02 0.00 0.00 177.10 176.17 2kq8 n SER 41 N -2.39 1.61 0.00 -1.22 3.41 -1.26 -3.83 113.62 109.93 2kq8 n SER 41 Ca 0.15 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 2kq8 n SER 41 Cb 0.61 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 2kq8 n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kq8 n GLY 42 N 5.65 2.31 3.66 5.00 0.00 -1.26 -5.07 105.19 115.47 2kq8 n GLY 42 Ca 0.44 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 2kq8 n GLY 42 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kq8 s TRP 43 N 0.00 2.72 -0.19 1.61 0.51 -1.25 -3.93 118.94 118.41 2kq8 s TRP 43 Ca 0.00 -0.22 -0.08 0.00 -2.12 0.00 0.00 56.10 53.68 2kq8 s TRP 43 Cb 0.00 -1.22 -0.04 0.00 -0.81 0.00 0.00 33.47 31.40 2kq8 s TRP 43 CO 0.00 0.61 0.07 -1.12 -0.51 0.00 0.00 176.95 175.99 2kq8 s SER 44 N -3.69 5.65 0.02 2.95 0.01 0.18 -0.61 113.70 118.20 2kq8 s SER 44 Ca 0.32 0.08 -0.27 0.00 1.31 0.00 0.00 55.95 57.38 2kq8 s SER 44 Cb -0.06 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 2kq8 s SER 44 CO 0.20 0.16 0.84 -0.75 0.41 0.00 0.00 173.24 174.11 2kq8 s LYS 45 N 0.45 4.53 0.03 12.44 2.20 -0.48 -0.67 119.74 138.24 2kq8 s LYS 45 Ca 0.03 1.18 -0.00 0.00 -0.36 0.00 0.00 55.97 56.83 2kq8 s LYS 45 Cb -0.12 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 2kq8 s LYS 45 CO 0.00 0.13 -0.03 0.96 -0.36 0.00 0.00 175.35 176.06 2kq8 s ILE 46 N 0.44 0.15 -0.28 5.43 -0.00 -0.68 -1.67 121.20 124.58 2kq8 s ILE 46 Ca 0.43 -1.20 -0.04 0.00 -0.00 0.00 0.00 60.65 59.85 2kq8 s ILE 46 Cb -0.20 -0.66 0.02 0.00 -0.00 0.00 0.00 42.46 41.61 2kq8 s ILE 46 CO 0.24 -0.66 0.02 0.21 -0.00 0.00 0.00 174.94 174.75 2kq8 s ASN 47 N -1.93 4.80 -0.28 4.36 2.47 -1.26 -1.45 114.94 121.65 2kq8 s ASN 47 Ca -0.09 -0.90 -0.01 0.00 0.42 0.00 0.00 52.86 52.29 2kq8 s ASN 47 Cb -0.04 -1.77 0.05 0.00 -1.45 0.00 0.00 41.25 38.03 2kq8 s ASN 47 CO -0.04 -0.19 -0.03 -0.47 -3.72 0.00 0.00 177.10 172.65 2kq8 s TYR 48 N 1.39 3.23 -1.45 0.43 5.04 0.08 -4.60 117.35 121.46 2kq8 s TYR 48 Ca 0.00 -1.87 -0.03 0.00 -2.44 0.00 0.00 57.07 52.73 2kq8 s TYR 48 Cb -0.18 -2.07 0.00 0.00 0.35 0.00 0.00 41.96 40.07 2kq8 s TYR 48 CO -0.01 -0.80 0.40 -1.71 -1.34 0.00 0.00 175.55 172.09 2kq8 n ASN 49 N 4.61 -5.59 0.00 4.32 5.15 -1.26 -2.07 115.26 120.41 2kq8 n ASN 49 Ca -0.14 -0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.65 2kq8 n ASN 49 Cb 0.44 -4.48 0.00 0.00 -0.53 0.00 0.00 39.78 35.20 2kq8 n ASN 49 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kq8 n GLY 50 N -1.33 1.46 3.72 8.20 0.00 -1.26 -5.04 105.19 110.94 2kq8 n GLY 50 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2kq8 n GLY 50 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kq8 s GLN 51 N -0.53 2.81 -0.02 1.61 -2.07 -0.88 -5.09 119.66 115.50 2kq8 s GLN 51 Ca 0.00 -0.65 -0.25 0.00 -1.82 0.00 0.00 55.36 52.64 2kq8 s GLN 51 Cb 0.00 -2.69 -0.04 0.00 -1.09 0.00 0.00 33.01 29.19 2kq8 s GLN 51 CO 0.00 0.60 0.77 0.99 -1.32 0.00 0.00 175.29 176.33 2kq8 s THR 52 N -1.22 4.93 0.28 3.63 2.01 -1.26 -0.74 115.64 123.27 2kq8 s THR 52 Ca 0.23 1.61 -0.05 0.00 0.31 0.00 0.00 61.69 63.80 2kq8 s THR 52 Cb -0.12 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 2kq8 s THR 52 CO 0.15 0.27 0.39 -0.83 -0.69 0.00 0.00 174.62 173.90 2kq8 s GLY 53 N 0.59 1.26 0.04 4.40 0.00 -0.53 -4.96 107.32 108.12 2kq8 s GLY 53 Ca 0.40 -1.41 0.03 0.00 0.00 0.00 0.00 44.72 43.75 2kq8 s GLY 53 CO 0.21 -1.01 -0.10 -0.19 0.00 0.00 0.00 173.10 172.02 2kq8 s TYR 54 N -3.61 0.83 0.14 1.90 2.02 -1.26 -1.69 117.35 115.68 2kq8 s TYR 54 Ca 0.31 -0.40 0.07 0.00 -0.37 0.00 0.00 57.07 56.69 2kq8 s TYR 54 Cb 0.01 -0.49 -0.04 0.00 -0.40 0.00 0.00 41.96 41.04 2kq8 s TYR 54 CO 0.16 -0.03 -0.17 0.96 -1.57 0.00 0.00 175.55 174.90 2kq8 s ILE 55 N -1.05 1.61 0.06 2.71 -5.25 0.15 -0.06 121.20 119.37 2kq8 s ILE 55 Ca -0.04 -1.81 -0.30 0.00 -0.99 0.00 0.00 60.65 57.50 2kq8 s ILE 55 Cb -0.08 -1.70 -0.05 0.00 2.95 0.00 0.00 42.46 43.58 2kq8 s ILE 55 CO 0.01 -0.34 1.15 -0.83 -1.79 0.00 0.00 174.94 173.14 2kq8 s GLY 56 N -2.53 2.54 0.00 6.27 0.00 -0.69 0.47 107.32 113.38 2kq8 s GLY 56 Ca 0.12 0.79 0.13 0.00 0.00 0.00 0.00 44.72 45.77 2kq8 s GLY 56 CO 0.05 1.94 1.41 2.41 0.00 0.00 0.00 173.10 178.91 2kq8 n THR 57 N 3.77 0.99 -0.08 0.90 -1.04 -1.25 -2.56 114.28 115.01 2kq8 n THR 57 Ca 0.08 0.25 -0.09 0.00 -2.04 0.00 0.00 64.05 62.24 2kq8 n THR 57 Cb 0.47 -1.02 -0.02 0.00 -1.82 0.00 0.00 70.33 67.94 2kq8 n THR 57 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2kq8 h ARG 58 N 0.00 0.37 -4.14 -2.82 3.08 -1.90 -3.41 114.38 105.56 2kq8 h ARG 58 Ca 0.00 -0.02 -0.52 0.00 0.07 0.00 0.00 59.98 59.51 2kq8 h ARG 58 Cb 0.21 -0.08 -0.37 0.00 0.08 0.00 0.00 29.97 29.80 2kq8 h ARG 58 CO 0.00 0.25 -0.80 0.71 -1.07 0.00 0.00 179.97 179.06 2kq8 s TYR 59 N -6.17 1.42 -0.01 3.04 1.51 -1.06 -5.12 117.35 110.97 2kq8 s TYR 59 Ca -0.13 -0.74 0.01 0.00 -1.01 0.00 0.00 57.07 55.20 2kq8 s TYR 59 Cb 0.09 -1.20 0.01 0.00 -0.11 0.00 0.00 41.96 40.76 2kq8 s TYR 59 CO 0.70 -0.51 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.45 2kq8 s LEU 60 N 1.73 1.59 -0.25 -1.29 0.20 -1.26 -4.61 118.68 114.79 2kq8 s LEU 60 Ca 0.04 -0.03 -0.26 0.00 0.69 0.00 0.00 54.13 54.57 2kq8 s LEU 60 Cb -0.13 -0.16 -0.00 0.00 -0.43 0.00 0.00 46.19 45.46 2kq8 s LEU 60 CO -0.08 -0.04 0.88 -0.44 -0.29 0.00 0.00 176.35 176.39 2kq8 s SER 61 N 0.48 6.88 0.49 3.68 0.01 -1.26 -5.03 113.70 118.95 2kq8 s SER 61 Ca -0.05 1.07 0.06 0.00 1.31 0.00 0.00 55.95 58.35 2kq8 s SER 61 Cb -0.07 -2.46 0.01 0.00 0.21 0.00 0.00 66.02 63.70 2kq8 s SER 61 CO -0.01 -0.57 0.33 -0.75 0.41 0.00 0.00 173.24 172.65 2kq8 s LYS 62 N 2.96 2.29 0.00 12.44 2.47 -1.26 -4.90 119.74 133.75 2kq8 s LYS 62 Ca 0.37 -1.93 -0.12 0.00 -1.56 0.00 0.00 55.97 52.74 2kq8 s LYS 62 Cb -0.15 -2.09 -0.06 0.00 -1.46 0.00 0.00 37.83 34.07 2kq8 s LYS 62 CO 0.08 -0.43 0.80 -0.07 0.16 0.00 0.00 175.35 175.89 2kq8 h LEU 63 N 0.97 -0.36 0.00 5.43 -0.00 -1.99 -3.48 115.31 115.89 2kq8 h LEU 63 Ca -0.39 0.01 0.29 0.00 -0.00 0.00 0.00 57.88 57.79 2kq8 h LEU 63 Cb 1.29 0.09 -0.07 0.00 -0.00 0.00 0.00 40.66 41.97 2kq8 h LEU 63 CO 0.61 -0.16 -0.39 1.21 -0.00 0.00 0.00 178.44 179.71 2kq8 n GLU 64 N -3.63 -2.17 -3.76 1.13 0.00 -1.26 -4.55 120.64 106.40 2kq8 n GLU 64 Ca -0.05 1.43 -0.28 0.00 0.00 0.00 0.00 57.16 58.26 2kq8 n GLU 64 Cb 0.17 -2.65 -0.11 0.00 0.00 0.00 0.00 31.44 28.85 2kq8 n GLU 64 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2kq8 n HIS 65 N -3.58 3.29 -3.34 4.31 -0.00 -1.26 -5.01 115.22 109.62 2kq8 n HIS 65 Ca 0.01 -4.26 -0.46 0.00 0.46 0.00 0.00 57.72 53.48 2kq8 n HIS 65 Cb 0.49 -0.59 -0.04 0.00 -0.12 0.00 0.00 29.99 29.72 2kq8 n HIS 65 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kq8 s HIS 66 N -1.72 3.42 0.11 1.57 3.76 -1.26 -5.06 115.29 116.11 2kq8 s HIS 66 Ca 0.29 -1.58 -0.30 0.00 -0.15 0.00 0.00 55.06 53.32 2kq8 s HIS 66 Cb 0.01 -3.77 -0.06 0.00 1.11 0.00 0.00 32.58 29.87 2kq8 s HIS 66 CO -0.13 -1.01 1.05 -1.58 -0.85 0.00 0.00 174.74 172.23 2kq8 s HIS 67 N 1.11 3.66 -0.27 1.40 2.46 -1.26 -3.22 115.29 119.16 2kq8 s HIS 67 Ca 0.08 1.64 0.00 0.00 0.47 0.00 0.00 55.06 57.25 2kq8 s HIS 67 Cb -0.24 -3.20 0.00 0.00 -0.13 0.00 0.00 32.58 29.02 2kq8 s HIS 67 CO -0.01 -0.34 0.00 1.58 -2.47 0.00 0.00 174.74 173.50 2kq8 n HIS 68 N 2.99 0.00 0.00 3.88 -0.00 -1.26 -3.99 115.22 116.83 2kq8 n HIS 68 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2kq8 n HIS 68 Cb 0.48 -1.17 0.00 0.00 -0.00 0.00 0.00 29.99 29.30 2kq8 n HIS 68 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kq8 n HIS 69 N -2.59 0.00 -1.73 1.57 -0.00 -1.20 -5.33 115.22 105.94 2kq8 n HIS 69 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 2kq8 n HIS 69 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.24 2kq8 n HIS 69 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95