#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kq2 n ASP 2 N 0.00 0.00 -2.32 7.83 2.03 -1.26 -4.99 116.55 117.83 2kq2 n ASP 2 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 2kq2 n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2kq2 n ASP 2 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kq2 n ASP 3 N -1.47 -5.87 -0.27 1.67 8.00 -1.26 -4.84 116.55 112.52 2kq2 n ASP 3 Ca 0.00 0.66 0.03 0.00 0.71 0.00 0.00 54.79 56.19 2kq2 n ASP 3 Cb 0.00 -3.82 0.05 0.00 -0.02 0.00 0.00 41.12 37.33 2kq2 n ASP 3 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kq2 n ARG 4 N 0.07 1.24 -3.86 -1.24 1.74 -1.26 -4.89 116.66 108.46 2kq2 n ARG 4 Ca 0.04 -1.27 -0.30 0.00 -0.77 0.00 0.00 57.85 55.54 2kq2 n ARG 4 Cb 0.14 -1.12 -0.14 0.00 -1.02 0.00 0.00 32.46 30.31 2kq2 n ARG 4 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2kq2 s THR 5 N -0.71 1.75 0.17 0.55 -4.23 -1.26 -4.94 115.64 106.97 2kq2 s THR 5 Ca 0.09 -2.29 0.00 0.00 -1.18 0.00 0.00 61.69 58.31 2kq2 s THR 5 Cb 0.05 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.62 2kq2 s THR 5 CO 0.07 -0.72 0.00 1.21 -0.54 0.00 0.00 174.62 174.65 2kq2 n GLU 6 N 4.08 -3.28 -3.42 3.99 2.13 -1.26 -4.96 120.64 117.91 2kq2 n GLU 6 Ca 0.03 2.45 -0.37 0.00 0.66 0.00 0.00 57.16 59.94 2kq2 n GLU 6 Cb 0.39 -2.54 -0.07 0.00 0.27 0.00 0.00 31.44 29.49 2kq2 n GLU 6 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2kq2 s TYR 7 N -0.85 3.47 -0.19 4.31 2.02 -1.21 -5.06 117.35 119.85 2kq2 s TYR 7 Ca 0.00 0.72 -0.16 0.00 -0.37 0.00 0.00 57.07 57.26 2kq2 s TYR 7 Cb 0.00 -2.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.07 2kq2 s TYR 7 CO 0.00 0.18 0.40 0.34 -1.57 0.00 0.00 175.55 174.90 2kq2 s ASP 8 N 0.60 6.48 -0.04 2.29 2.15 -1.25 -3.18 116.67 123.72 2kq2 s ASP 8 Ca 0.21 0.56 0.03 0.00 0.43 0.00 0.00 52.55 53.78 2kq2 s ASP 8 Cb -0.14 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2kq2 s ASP 8 CO 0.07 -0.05 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.22 2kq2 s VAL 9 N 1.14 0.97 0.16 1.11 1.01 -1.26 -2.02 120.40 121.50 2kq2 s VAL 9 Ca 0.20 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 61.83 2kq2 s VAL 9 Cb -0.15 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2kq2 s VAL 9 CO 0.08 0.30 -0.22 -0.72 0.00 0.00 0.00 175.10 174.53 2kq2 s TYR 10 N 0.24 2.08 0.38 5.22 1.13 -1.15 -4.76 117.35 120.49 2kq2 s TYR 10 Ca -0.05 -0.40 -0.16 0.00 -1.41 0.00 0.00 57.07 55.05 2kq2 s TYR 10 Cb -0.10 -1.07 0.06 0.00 -1.10 0.00 0.00 41.96 39.75 2kq2 s TYR 10 CO 0.01 0.37 0.81 -0.08 -2.51 0.00 0.00 175.55 174.15 2kq2 s THR 11 N -1.57 0.00 0.38 -3.49 -1.32 -1.26 -2.88 115.64 105.50 2kq2 s THR 11 Ca 0.16 -0.98 0.00 0.00 -1.21 0.00 0.00 61.69 59.66 2kq2 s THR 11 Cb -0.08 -2.96 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 2kq2 s THR 11 CO 0.07 0.00 0.00 -0.67 -2.21 0.00 0.00 174.62 171.81 2kq2 n ASP 12 N -1.48 -5.15 0.00 8.08 2.03 -1.26 -4.95 116.55 113.83 2kq2 n ASP 12 Ca -0.08 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.29 2kq2 n ASP 12 Cb 0.60 -2.97 0.00 0.00 -0.72 0.00 0.00 41.12 38.03 2kq2 n ASP 12 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kq2 n GLY 13 N -2.78 -2.38 2.90 0.27 0.00 -1.26 -4.68 105.19 97.25 2kq2 n GLY 13 Ca -0.03 0.77 -0.27 0.00 0.00 0.00 0.00 46.02 46.49 2kq2 n GLY 13 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kq2 s SER 14 N -1.69 2.44 -0.28 1.61 0.15 -1.26 -4.89 113.70 109.78 2kq2 s SER 14 Ca 0.00 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.22 2kq2 s SER 14 Cb 0.00 -0.86 0.07 0.00 -1.71 0.00 0.00 66.02 63.52 2kq2 s SER 14 CO 0.00 -0.15 -0.03 -0.47 1.20 0.00 0.00 173.24 173.79 2kq2 s TYR 15 N 1.68 3.02 -0.02 3.44 6.14 -1.26 -4.77 117.35 125.58 2kq2 s TYR 15 Ca 0.03 -2.29 -0.02 0.00 0.64 0.00 0.00 57.07 55.43 2kq2 s TYR 15 Cb -0.14 -2.07 0.01 0.00 0.42 0.00 0.00 41.96 40.18 2kq2 s TYR 15 CO -0.08 -0.87 0.06 0.54 0.64 0.00 0.00 175.55 175.84 2kq2 s VAL 16 N 1.17 -0.00 -1.69 3.14 0.11 -1.15 -4.87 120.40 117.12 2kq2 s VAL 16 Ca -0.01 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 2kq2 s VAL 16 Cb -0.19 -0.09 0.00 0.00 -1.53 0.00 0.00 36.38 34.57 2kq2 s VAL 16 CO -0.08 0.00 0.00 0.59 -3.33 0.00 0.00 175.10 172.28 2kq2 n ASN 17 N 3.07 -5.45 0.00 3.54 5.03 -1.26 -0.69 115.26 119.50 2kq2 n ASN 17 Ca -0.12 0.06 0.00 0.00 0.87 0.00 0.00 54.58 55.38 2kq2 n ASN 17 Cb 0.59 -4.52 0.00 0.00 -1.02 0.00 0.00 39.78 34.83 2kq2 n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kq2 n GLY 18 N -0.96 0.51 3.76 7.41 0.00 -1.26 -5.01 105.19 109.64 2kq2 n GLY 18 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2kq2 n GLY 18 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kq2 s GLN 19 N -0.28 4.18 0.04 1.61 -1.52 0.14 -5.08 119.66 118.75 2kq2 s GLN 19 Ca 0.00 0.30 -0.10 0.00 -1.95 0.00 0.00 55.36 53.60 2kq2 s GLN 19 Cb 0.00 -3.37 0.01 0.00 -0.22 0.00 0.00 33.01 29.43 2kq2 s GLN 19 CO 0.00 0.34 0.22 1.52 -0.25 0.00 0.00 175.29 177.11 2kq2 s TYR 20 N 0.10 0.01 0.25 0.91 1.13 -1.26 -2.93 117.35 115.57 2kq2 s TYR 20 Ca 0.22 -0.20 -0.16 0.00 -1.41 0.00 0.00 57.07 55.51 2kq2 s TYR 20 Cb -0.15 0.00 0.01 0.00 -1.10 0.00 0.00 41.96 40.72 2kq2 s TYR 20 CO 0.09 -0.44 0.58 0.00 -2.51 0.00 0.00 175.55 173.26 2kq2 s ALA 21 N -2.48 -0.69 -0.14 9.51 0.00 -1.26 -2.01 121.76 124.69 2kq2 s ALA 21 Ca -0.06 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.15 2kq2 s ALA 21 Cb -0.01 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 2kq2 s ALA 21 CO -0.03 -0.92 0.38 -1.58 0.00 0.00 0.00 175.76 173.61 2kq2 s TRP 22 N -3.97 3.49 -0.02 0.00 0.52 -0.42 -4.85 118.94 113.69 2kq2 s TRP 22 Ca 0.17 0.75 -0.00 0.00 0.02 0.00 0.00 56.10 57.03 2kq2 s TRP 22 Cb -0.03 -2.44 0.02 0.00 -1.15 0.00 0.00 33.47 29.87 2kq2 s TRP 22 CO 0.07 0.22 0.03 0.00 0.02 0.00 0.00 176.95 177.28 2kq2 s ALA 23 N 0.50 0.03 -0.04 0.98 0.00 -1.26 -1.97 121.76 119.99 2kq2 s ALA 23 Ca 0.21 0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 2kq2 s ALA 23 Cb -0.14 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.84 2kq2 s ALA 23 CO 0.07 -0.07 0.33 0.71 0.00 0.00 0.00 175.76 176.80 2kq2 s TYR 24 N 0.68 -0.24 -0.14 0.00 2.02 -1.13 -4.17 117.35 114.36 2kq2 s TYR 24 Ca -0.06 0.45 -0.06 0.00 -0.37 0.00 0.00 57.07 57.03 2kq2 s TYR 24 Cb -0.08 0.12 0.06 0.00 -0.40 0.00 0.00 41.96 41.66 2kq2 s TYR 24 CO -0.02 -0.36 0.31 0.00 -1.57 0.00 0.00 175.55 173.91 2kq2 s ALA 25 N -1.00 -0.74 -0.39 3.71 0.00 -1.14 -2.87 121.76 119.33 2kq2 s ALA 25 Ca -0.11 1.14 -0.21 0.00 0.00 0.00 0.00 51.96 52.79 2kq2 s ALA 25 Cb -0.04 -0.96 0.01 0.00 0.00 0.00 0.00 23.12 22.13 2kq2 s ALA 25 CO 0.04 -0.49 0.65 -0.06 0.00 0.00 0.00 175.76 175.90 2kq2 s PHE 26 N 2.00 3.11 -0.22 0.00 0.08 0.38 -2.94 117.98 120.39 2kq2 s PHE 26 Ca -0.04 0.19 -0.07 0.00 0.12 0.00 0.00 56.93 57.13 2kq2 s PHE 26 Cb -0.11 -3.26 -0.03 0.00 -0.57 0.00 0.00 43.02 39.05 2kq2 s PHE 26 CO -0.10 -0.75 0.07 0.54 -0.10 0.00 0.00 175.22 174.88 2kq2 s VAL 27 N 2.80 4.53 -0.11 -0.44 0.11 -0.86 -0.19 120.40 126.25 2kq2 s VAL 27 Ca 0.24 -0.11 -0.31 0.00 -2.93 0.00 0.00 61.98 58.87 2kq2 s VAL 27 Cb -0.14 -3.08 0.12 0.00 -1.53 0.00 0.00 36.38 31.75 2kq2 s VAL 27 CO 0.17 0.39 1.02 -1.59 -3.33 0.00 0.00 175.10 171.77 2kq2 s LYS 28 N 1.02 0.59 -0.23 1.54 -2.85 -0.53 -3.94 119.74 115.35 2kq2 s LYS 28 Ca 0.04 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 54.91 2kq2 s LYS 28 Cb -0.14 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 2kq2 s LYS 28 CO 0.03 -0.23 0.00 -0.25 0.10 0.00 0.00 175.35 175.00 2kq2 n ASP 29 N 0.13 -3.35 0.00 0.03 8.00 -1.26 -2.97 116.55 117.13 2kq2 n ASP 29 Ca -0.07 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2kq2 n ASP 29 Cb 0.60 -1.04 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 2kq2 n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kq2 n GLY 30 N -2.61 0.85 3.43 0.44 0.00 -1.26 -4.97 105.19 101.07 2kq2 n GLY 30 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 2kq2 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kq2 s LYS 31 N -0.01 1.94 -0.33 1.61 0.00 -1.16 -5.12 119.74 116.68 2kq2 s LYS 31 Ca 0.00 -1.89 -0.29 0.00 0.00 0.00 0.00 55.97 53.79 2kq2 s LYS 31 Cb 0.00 0.41 0.02 0.00 0.00 0.00 0.00 37.83 38.26 2kq2 s LYS 31 CO 0.00 -0.78 1.12 0.08 0.00 0.00 0.00 175.35 175.76 2kq2 s VAL 32 N -3.03 4.43 0.09 1.79 1.01 -1.26 -1.45 120.40 121.97 2kq2 s VAL 32 Ca 0.34 1.63 -0.01 0.00 0.00 0.00 0.00 61.98 63.93 2kq2 s VAL 32 Cb 0.00 -4.39 -0.25 0.00 0.00 0.00 0.00 36.38 31.73 2kq2 s VAL 32 CO 0.24 -0.52 1.19 -0.74 0.00 0.00 0.00 175.10 175.27 2kq2 h HIS 33 N 8.36 0.37 -2.30 5.22 2.76 -0.74 -3.46 115.15 125.36 2kq2 h HIS 33 Ca -0.22 -0.27 -0.07 0.00 -2.20 0.00 0.00 60.37 57.62 2kq2 h HIS 33 Cb 1.07 -0.02 -0.21 0.00 1.55 0.00 0.00 27.41 29.80 2kq2 h HIS 33 CO 0.85 1.19 0.02 -0.47 -1.30 0.00 0.00 177.93 178.22 2kq2 s TYR 34 N -2.73 -0.59 -0.15 5.26 6.14 -1.09 -5.00 117.35 119.20 2kq2 s TYR 34 Ca -0.03 1.28 -0.09 0.00 0.64 0.00 0.00 57.07 58.87 2kq2 s TYR 34 Cb 0.08 0.27 0.05 0.00 0.42 0.00 0.00 41.96 42.77 2kq2 s TYR 34 CO 0.87 -0.42 0.37 -2.00 0.64 0.00 0.00 175.55 175.00 2kq2 s GLU 35 N -0.38 0.37 0.08 4.97 2.12 -1.26 -0.47 118.70 124.13 2kq2 s GLU 35 Ca -0.05 0.66 -0.26 0.00 0.36 0.00 0.00 54.97 55.67 2kq2 s GLU 35 Cb -0.03 0.02 0.08 0.00 0.26 0.00 0.00 34.13 34.46 2kq2 s GLU 35 CO 0.04 -0.13 0.87 0.34 -0.54 0.00 0.00 175.26 175.84 2kq2 s ASP 36 N 1.03 -0.32 -0.22 -1.70 2.15 -1.14 -5.05 116.67 111.42 2kq2 s ASP 36 Ca -0.07 -0.17 -0.10 0.00 0.43 0.00 0.00 52.55 52.64 2kq2 s ASP 36 Cb -0.07 0.46 0.08 0.00 -0.30 0.00 0.00 42.92 43.09 2kq2 s ASP 36 CO -0.08 -0.79 0.51 0.00 -0.17 0.00 0.00 175.17 174.63 2kq2 s ALA 37 N -3.29 -1.41 0.50 3.66 0.00 -1.26 -2.85 121.76 117.12 2kq2 s ALA 37 Ca 0.07 1.83 -0.02 0.00 0.00 0.00 0.00 51.96 53.84 2kq2 s ALA 37 Cb -0.01 -1.29 -0.00 0.00 0.00 0.00 0.00 23.12 21.82 2kq2 s ALA 37 CO -0.05 -0.54 0.76 0.34 0.00 0.00 0.00 175.76 176.26 2kq2 s ASP 38 N 2.06 5.81 0.25 0.00 2.15 -0.83 -4.93 116.67 121.18 2kq2 s ASP 38 Ca -0.07 0.51 -0.07 0.00 0.43 0.00 0.00 52.55 53.35 2kq2 s ASP 38 Cb -0.09 -1.69 -0.06 0.00 -0.30 0.00 0.00 42.92 40.78 2kq2 s ASP 38 CO -0.15 -0.80 0.53 0.68 -0.17 0.00 0.00 175.17 175.26 2kq2 s VAL 39 N -2.72 5.00 -1.10 1.11 -7.23 -1.26 -1.30 120.40 112.91 2kq2 s VAL 39 Ca 0.50 0.22 -0.21 0.00 -1.81 0.00 0.00 61.98 60.67 2kq2 s VAL 39 Cb -0.10 -3.68 -0.08 0.00 0.56 0.00 0.00 36.38 33.09 2kq2 s VAL 39 CO 0.41 -0.19 1.93 0.61 -0.31 0.00 0.00 175.10 177.55 2kq2 n GLY 40 N -0.52 2.06 0.00 2.32 0.00 -0.85 -4.68 105.19 103.51 2kq2 n GLY 40 Ca -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2kq2 n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kq2 n LYS 41 N 7.70 1.58 -2.61 1.61 5.02 -1.26 -4.92 118.16 125.27 2kq2 n LYS 41 Ca 0.48 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.39 2kq2 n LYS 41 Cb 0.44 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.40 2kq2 n LYS 41 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2kq2 s ASN 42 N -1.00 7.11 0.61 4.39 0.01 -1.26 -4.90 114.94 119.90 2kq2 s ASN 42 Ca 0.00 2.02 0.36 0.00 -0.71 0.00 0.00 52.86 54.53 2kq2 s ASN 42 Cb 0.00 -2.59 2.01 0.00 0.41 0.00 0.00 41.25 41.07 2kq2 s ASN 42 CO 0.00 -0.24 2.27 1.55 -1.51 0.00 0.00 177.10 179.17 2kq2 h PRO 43 N 3.12 0.00 0.00 -0.60 0.13 -1.96 -0.46 132.00 132.22 2kq2 h PRO 43 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kq2 h PRO 43 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kq2 h PRO 43 CO 0.65 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 2kq2 h ALA 44 N 1.98 1.00 0.00 -0.56 0.00 -1.92 -2.58 119.26 117.19 2kq2 h ALA 44 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kq2 h ALA 44 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kq2 h ALA 44 CO 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.18 2kq2 n ALA 45 N -2.00 0.07 0.03 0.00 0.00 -0.22 -4.61 120.51 113.78 2kq2 n ALA 45 Ca 0.03 -0.29 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 2kq2 n ALA 45 Cb 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.73 2kq2 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kq2 h ALA 46 N -1.92 0.07 -0.06 0.00 0.00 -1.65 -3.32 119.26 112.38 2kq2 h ALA 46 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 2kq2 h ALA 46 Cb 0.07 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2kq2 h ALA 46 CO 0.00 0.65 0.00 2.41 0.00 0.00 0.00 179.25 182.31 2kq2 n THR 47 N -4.00 0.14 -3.29 0.00 -1.04 -1.19 -4.55 114.28 100.35 2kq2 n THR 47 Ca -0.21 -0.09 -0.46 0.00 -2.04 0.00 0.00 64.05 61.25 2kq2 n THR 47 Cb 0.87 -0.17 -0.05 0.00 -1.82 0.00 0.00 70.33 69.16 2kq2 n THR 47 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2kq2 s MET 48 N -1.61 3.00 1.06 -2.82 1.75 -0.98 -4.81 119.30 114.89 2kq2 s MET 48 Ca 0.04 -1.60 0.00 0.00 -1.25 0.00 0.00 55.69 52.88 2kq2 s MET 48 Cb 0.03 -4.27 0.00 0.00 2.84 0.00 0.00 34.83 33.42 2kq2 s MET 48 CO 0.02 -1.33 0.00 -2.13 -0.65 0.00 0.00 175.02 170.94 2kq2 n ARG 49 N 5.41 -0.00 0.00 4.11 3.00 -1.26 -4.93 116.66 122.99 2kq2 n ARG 49 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 2kq2 n ARG 49 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.87 2kq2 n ARG 49 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2kq2 n ASN 50 N 0.71 0.00 -0.07 6.15 3.02 -1.26 -3.75 115.26 120.06 2kq2 n ASN 50 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 2kq2 n ASN 50 Cb 0.00 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.40 2kq2 n ASN 50 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2kq2 h VAL 51 N 0.00 1.22 -0.12 2.41 2.07 -1.90 -2.46 116.25 117.48 2kq2 h VAL 51 Ca 0.00 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.70 2kq2 h VAL 51 Cb 0.00 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2kq2 h VAL 51 CO 0.00 0.30 0.10 0.00 0.02 0.00 0.00 177.57 178.00 2kq2 h ALA 52 N 1.39 1.86 -0.10 1.67 0.00 -1.88 -1.57 119.26 120.64 2kq2 h ALA 52 Ca 0.14 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 2kq2 h ALA 52 Cb 0.35 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2kq2 h ALA 52 CO 0.01 -0.16 -0.48 0.78 0.00 0.00 0.00 179.25 179.40 2kq2 h GLY 53 N 0.00 0.55 2.00 0.00 0.00 -1.75 -3.15 103.07 100.73 2kq2 h GLY 53 Ca 0.05 -0.78 -0.09 0.00 0.00 0.00 0.00 47.33 46.52 2kq2 h GLY 53 CO -0.00 0.69 -0.44 0.83 0.00 0.00 0.00 176.54 177.62 2kq2 h GLU 54 N 0.09 0.00 0.00 4.80 3.07 -1.39 -2.61 114.58 118.55 2kq2 h GLU 54 Ca -0.03 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.71 2kq2 h GLU 54 Cb 1.12 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.02 2kq2 h GLU 54 CO 0.10 0.44 -0.54 0.82 -1.40 0.00 0.00 179.01 178.42 2kq2 h ILE 55 N 0.00 1.34 -0.85 3.13 1.08 -1.48 -3.28 117.51 117.45 2kq2 h ILE 55 Ca -0.00 -1.89 0.14 0.00 -0.39 0.00 0.00 64.86 62.71 2kq2 h ILE 55 Cb 0.80 2.03 -0.06 0.00 -3.07 0.00 0.00 36.82 36.52 2kq2 h ILE 55 CO 0.06 0.53 0.55 0.00 -0.69 0.00 0.00 178.15 178.60 2kq2 h ALA 56 N 1.46 1.89 -0.50 1.87 0.00 -1.41 0.47 119.26 123.03 2kq2 h ALA 56 Ca -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2kq2 h ALA 56 Cb 0.99 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2kq2 h ALA 56 CO 0.07 -0.11 0.08 0.00 0.00 0.00 0.00 179.25 179.30 2kq2 h ALA 57 N 1.61 1.20 0.00 0.00 0.00 -1.72 -2.15 119.26 118.20 2kq2 h ALA 57 Ca 0.42 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2kq2 h ALA 57 Cb 0.72 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2kq2 h ALA 57 CO -0.18 0.54 -0.43 0.00 0.00 0.00 0.00 179.25 179.18 2kq2 h ALA 58 N 1.34 0.87 -0.44 0.00 0.00 -1.13 -3.01 119.26 116.89 2kq2 h ALA 58 Ca 0.16 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2kq2 h ALA 58 Cb 0.34 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2kq2 h ALA 58 CO 0.00 0.54 0.10 1.25 0.00 0.00 0.00 179.25 181.14 2kq2 h LEU 59 N 0.00 0.60 -0.73 0.00 6.46 -0.67 -0.41 115.31 120.57 2kq2 h LEU 59 Ca -0.00 -0.10 -0.11 0.00 -0.12 0.00 0.00 57.88 57.55 2kq2 h LEU 59 Cb 1.07 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 2kq2 h LEU 59 CO 0.06 0.61 -0.18 0.22 -0.62 0.00 0.00 178.44 178.52 2kq2 h TYR 60 N 0.64 0.87 -0.63 1.25 3.20 -1.39 -1.44 116.97 119.47 2kq2 h TYR 60 Ca 0.14 -0.18 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 2kq2 h TYR 60 Cb 0.25 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 2kq2 h TYR 60 CO 0.01 0.90 0.18 0.00 -1.64 0.00 0.00 178.16 177.61 2kq2 h ALA 61 N 1.10 0.82 -0.79 1.82 0.00 -1.28 -1.36 119.26 119.57 2kq2 h ALA 61 Ca 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2kq2 h ALA 61 Cb 0.69 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2kq2 h ALA 61 CO 0.05 0.51 0.37 0.28 0.00 0.00 0.00 179.25 180.46 2kq2 h VAL 62 N 0.91 1.25 -0.37 0.00 2.07 -0.94 -0.51 116.25 118.66 2kq2 h VAL 62 Ca 0.20 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 67.01 2kq2 h VAL 62 Cb 0.31 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2kq2 h VAL 62 CO -0.00 0.30 0.23 0.11 0.02 0.00 0.00 177.57 178.23 2kq2 h LYS 63 N 1.13 0.46 0.00 1.57 1.57 -0.73 -2.16 116.57 118.42 2kq2 h LYS 63 Ca 0.27 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.95 2kq2 h LYS 63 Cb 0.13 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2kq2 h LYS 63 CO -0.03 0.31 -0.37 0.87 -0.57 0.00 0.00 179.45 179.65 2kq2 h LYS 64 N 0.48 0.00 0.00 3.15 1.57 -0.94 -2.68 116.57 118.14 2kq2 h LYS 64 Ca 0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2kq2 h LYS 64 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2kq2 h LYS 64 CO -0.05 0.37 -0.07 0.00 -0.57 0.00 0.00 179.45 179.14 2kq2 h ALA 65 N 1.63 1.76 -0.60 3.86 0.00 -0.43 -0.78 119.26 124.70 2kq2 h ALA 65 Ca -0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2kq2 h ALA 65 Cb 0.71 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2kq2 h ALA 65 CO 0.05 0.08 -0.01 1.03 0.00 0.00 0.00 179.25 180.41 2kq2 h SER 66 N 0.00 1.03 -0.29 0.00 0.87 -1.27 0.20 113.55 114.09 2kq2 h SER 66 Ca -0.00 -0.29 -0.15 0.00 -1.23 0.00 0.00 61.79 60.12 2kq2 h SER 66 Cb 0.13 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2kq2 h SER 66 CO 0.01 1.08 -0.39 -0.61 -0.53 0.00 0.00 176.83 176.39 2kq2 h GLN 67 N 0.96 0.77 0.00 2.24 4.15 -1.34 -2.88 115.11 119.01 2kq2 h GLN 67 Ca 0.17 -0.44 -0.03 0.00 0.77 0.00 0.00 58.65 59.12 2kq2 h GLN 67 Cb 0.56 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.28 2kq2 h GLN 67 CO 0.03 1.07 -0.14 -0.07 -1.93 0.00 0.00 178.83 177.79 2kq2 h LEU 68 N 0.52 0.00 -0.47 -2.39 4.07 -1.01 -3.47 115.31 112.56 2kq2 h LEU 68 Ca 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 2kq2 h LEU 68 Cb 0.98 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.72 2kq2 h LEU 68 CO 0.09 0.14 -0.00 0.61 -1.08 0.00 0.00 178.44 178.20 2kq2 n GLY 69 N -0.18 0.65 3.55 0.83 0.00 0.59 -5.04 105.19 105.59 2kq2 n GLY 69 Ca -0.01 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 2kq2 n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kq2 s VAL 70 N -2.48 1.59 0.32 1.61 -7.23 -0.56 -5.03 120.40 108.61 2kq2 s VAL 70 Ca 0.00 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.26 2kq2 s VAL 70 Cb -0.00 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 2kq2 s VAL 70 CO 0.00 0.00 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.25 2kq2 s LYS 71 N -3.79 2.10 0.23 4.82 -0.14 -1.26 -4.55 119.74 117.15 2kq2 s LYS 71 Ca 0.34 -1.67 0.07 0.00 -1.36 0.00 0.00 55.97 53.35 2kq2 s LYS 71 Cb 0.09 -1.97 -0.04 0.00 -1.68 0.00 0.00 37.83 34.23 2kq2 s LYS 71 CO 0.16 0.20 0.11 0.96 -0.76 0.00 0.00 175.35 176.02 2kq2 s ILE 72 N -2.47 4.11 -0.46 2.17 -5.25 -0.83 -3.35 121.20 115.12 2kq2 s ILE 72 Ca 0.34 -1.48 -0.21 0.00 -0.99 0.00 0.00 60.65 58.31 2kq2 s ILE 72 Cb -0.02 -3.17 0.03 0.00 2.95 0.00 0.00 42.46 42.25 2kq2 s ILE 72 CO 0.19 -0.28 0.66 -0.13 -1.79 0.00 0.00 174.94 173.59 2kq2 s ARG 73 N -3.55 3.25 0.01 0.37 0.52 -1.19 -4.69 118.95 113.65 2kq2 s ARG 73 Ca 0.31 -0.47 0.06 0.00 -0.52 0.00 0.00 55.73 55.11 2kq2 s ARG 73 Cb -0.08 -3.99 -0.03 0.00 0.52 0.00 0.00 34.95 31.37 2kq2 s ARG 73 CO 0.23 -1.08 -0.17 -1.50 0.02 0.00 0.00 175.30 172.79 2kq2 s ILE 74 N 2.85 2.82 1.27 1.52 2.07 -1.26 -4.27 121.20 126.20 2kq2 s ILE 74 Ca 0.21 -1.03 -0.17 0.00 -1.41 0.00 0.00 60.65 58.25 2kq2 s ILE 74 Cb -0.15 -2.14 0.30 0.00 0.13 0.00 0.00 42.46 40.60 2kq2 s ILE 74 CO 0.18 0.44 0.79 0.00 -1.91 0.00 0.00 174.94 174.44 2kq2 n LEU 75 N 1.87 -1.44 -4.90 8.50 -0.00 -1.26 -4.82 117.00 114.94 2kq2 n LEU 75 Ca -0.16 -0.43 -0.31 0.00 -0.00 0.00 0.00 56.01 55.11 2kq2 n LEU 75 Cb 0.52 -1.10 -0.04 0.00 -0.00 0.00 0.00 43.42 42.80 2kq2 n LEU 75 CO 0.26 -3.75 0.03 -1.00 -0.00 0.00 0.00 177.39 172.93 2kq2 s HIS 76 N -2.26 3.48 -0.71 1.47 3.76 -1.26 -4.62 115.29 115.15 2kq2 s HIS 76 Ca 0.65 0.50 -0.04 0.00 -0.15 0.00 0.00 55.06 56.02 2kq2 s HIS 76 Cb -0.18 -1.97 0.01 0.00 1.11 0.00 0.00 32.58 31.54 2kq2 s HIS 76 CO 0.61 0.42 0.66 -0.25 -0.85 0.00 0.00 174.74 175.33 2kq2 n ASP 77 N -0.09 -7.02 -4.51 1.40 9.92 -1.26 -4.86 116.55 110.12 2kq2 n ASP 77 Ca -0.03 -0.21 -0.43 0.00 -0.53 0.00 0.00 54.79 53.59 2kq2 n ASP 77 Cb 0.52 -4.30 0.00 0.00 -0.64 0.00 0.00 41.12 36.70 2kq2 n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kq2 n TYR 78 N -1.71 4.73 0.43 1.24 4.19 -1.26 -4.73 117.16 120.05 2kq2 n TYR 78 Ca -0.06 -3.03 0.13 0.00 3.31 0.00 0.00 57.90 58.24 2kq2 n TYR 78 Cb 0.55 -2.47 0.49 0.00 0.49 0.00 0.00 39.34 38.40 2kq2 n TYR 78 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2kq2 h ALA 79 N 7.35 1.00 0.00 2.98 0.00 -2.00 -3.14 119.26 125.45 2kq2 h ALA 79 Ca 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2kq2 h ALA 79 Cb 0.86 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2kq2 h ALA 79 CO 1.40 0.00 -0.05 0.78 0.00 0.00 0.00 179.25 181.38 2kq2 h GLY 80 N 2.71 0.00 2.00 0.00 0.00 -2.01 -2.09 103.07 103.69 2kq2 h GLY 80 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2kq2 h GLY 80 CO 0.00 0.00 -0.20 0.16 0.00 0.00 0.00 176.54 176.50 2kq2 h ILE 81 N 0.00 0.77 -0.13 2.60 3.07 -1.96 -1.34 117.51 120.50 2kq2 h ILE 81 Ca -0.00 -0.80 -0.14 0.00 1.55 0.00 0.00 64.86 65.47 2kq2 h ILE 81 Cb 0.23 1.49 -0.01 0.00 -0.27 0.00 0.00 36.82 38.26 2kq2 h ILE 81 CO 0.01 0.20 -0.51 0.00 -1.05 0.00 0.00 178.15 176.79 2kq2 h ALA 82 N 1.80 0.88 0.00 0.16 0.00 -1.62 0.41 119.26 120.89 2kq2 h ALA 82 Ca -0.00 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 2kq2 h ALA 82 Cb 0.47 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2kq2 h ALA 82 CO 0.03 0.67 -0.86 0.74 0.00 0.00 0.00 179.25 179.82 2kq2 h PHE 83 N 0.29 0.05 -0.28 0.00 0.04 -1.47 -2.12 116.94 113.45 2kq2 h PHE 83 Ca 0.01 -0.03 -0.19 0.00 2.80 0.00 0.00 57.97 60.56 2kq2 h PHE 83 Cb 0.99 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.14 2kq2 h PHE 83 CO 0.03 0.88 -0.57 2.35 -0.60 0.00 0.00 178.31 180.39 2kq2 h TRP 84 N 0.02 1.11 0.50 -0.55 2.91 -1.05 -2.89 115.95 116.00 2kq2 h TRP 84 Ca -0.02 -0.41 -0.02 0.00 1.13 0.00 0.00 58.89 59.57 2kq2 h TRP 84 Cb 1.52 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.97 2kq2 h TRP 84 CO 0.01 1.24 -0.24 0.00 -1.03 0.00 0.00 178.44 178.42 2kq2 h ALA 85 N 0.67 -0.67 0.00 2.65 0.00 -0.88 -3.45 119.26 117.58 2kq2 h ALA 85 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kq2 h ALA 85 Cb 1.18 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2kq2 h ALA 85 CO 0.13 -0.83 -0.05 -2.37 0.00 0.00 0.00 179.25 176.12 2kq2 n THR 86 N -5.34 0.18 0.00 0.00 5.66 -0.85 -4.93 114.28 108.99 2kq2 n THR 86 Ca -0.12 0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 2kq2 n THR 86 Cb 0.30 -0.71 0.00 0.00 -1.55 0.00 0.00 70.33 68.37 2kq2 n THR 86 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kq2 n GLY 87 N 1.86 3.23 0.14 1.09 0.00 -0.92 -4.91 105.19 105.67 2kq2 n GLY 87 Ca 0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 2kq2 n GLY 87 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kq2 h GLU 88 N 0.00 -0.23 -6.13 1.61 3.07 -1.89 -3.44 114.58 107.58 2kq2 h GLU 88 Ca 0.00 0.02 -0.58 0.00 -0.50 0.00 0.00 59.36 58.29 2kq2 h GLU 88 Cb 0.00 0.05 -0.11 0.00 -0.84 0.00 0.00 28.75 27.85 2kq2 h GLU 88 CO 0.00 0.04 -0.66 1.67 -1.40 0.00 0.00 179.01 178.66 2kq2 s TRP 89 N -5.08 2.53 -0.23 4.33 -2.14 -1.26 -5.11 118.94 111.99 2kq2 s TRP 89 Ca -0.15 -0.34 -0.14 0.00 2.66 0.00 0.00 56.10 58.14 2kq2 s TRP 89 Cb 0.03 -1.27 -0.04 0.00 -3.10 0.00 0.00 33.47 29.09 2kq2 s TRP 89 CO 0.61 0.59 0.32 0.15 -2.66 0.00 0.00 176.95 175.96 2kq2 s LYS 90 N -3.65 4.10 -0.96 3.25 1.02 -1.26 -4.73 119.74 117.51 2kq2 s LYS 90 Ca 0.32 0.02 -0.24 0.00 0.02 0.00 0.00 55.97 56.09 2kq2 s LYS 90 Cb -0.03 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.68 2kq2 s LYS 90 CO 0.18 -0.06 1.85 0.00 -0.92 0.00 0.00 175.35 176.40 2kq2 s ALA 91 N 1.41 1.90 -0.09 5.17 0.00 -1.26 -4.64 121.76 124.25 2kq2 s ALA 91 Ca 0.15 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 50.25 2kq2 s ALA 91 Cb -0.15 -4.57 -0.04 0.00 0.00 0.00 0.00 23.12 18.37 2kq2 s ALA 91 CO 0.07 -4.61 -0.22 0.36 0.00 0.00 0.00 175.76 171.36 2kq2 n LYS 92 N 8.79 0.34 -3.39 0.00 2.85 -1.26 -4.89 118.16 120.60 2kq2 n LYS 92 Ca 0.40 0.14 -0.15 0.00 -1.05 0.00 0.00 58.31 57.64 2kq2 n LYS 92 Cb 0.48 -1.09 -0.09 0.00 -0.65 0.00 0.00 35.03 33.67 2kq2 n LYS 92 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 2kq2 s ASN 93 N -6.02 1.34 -0.13 -5.58 3.84 -1.26 -5.01 114.94 102.13 2kq2 s ASN 93 Ca -0.19 -0.58 -0.34 0.00 0.21 0.00 0.00 52.86 51.97 2kq2 s ASN 93 Cb 0.03 0.64 0.15 0.00 -0.55 0.00 0.00 41.25 41.52 2kq2 s ASN 93 CO 0.28 -0.37 1.40 -0.70 -2.79 0.00 0.00 177.10 174.91 2kq2 s GLU 94 N 2.40 0.09 0.54 0.43 2.12 -1.26 -5.01 118.70 118.01 2kq2 s GLU 94 Ca 0.09 -0.05 0.26 0.00 0.36 0.00 0.00 54.97 55.64 2kq2 s GLU 94 Cb -0.14 0.03 1.42 0.00 0.26 0.00 0.00 34.13 35.70 2kq2 s GLU 94 CO -0.29 -0.04 1.99 0.27 -0.54 0.00 0.00 175.26 176.64 2kq2 h PHE 95 N 2.00 0.00 -0.47 5.30 -0.00 -2.02 0.04 116.94 121.80 2kq2 h PHE 95 Ca -0.26 0.00 0.14 0.00 -0.00 0.00 0.00 57.97 57.84 2kq2 h PHE 95 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.11 2kq2 h PHE 95 CO 0.30 0.00 0.40 0.00 -0.00 0.00 0.00 178.31 179.01 2kq2 h THR 96 N 0.00 0.56 -0.28 0.88 1.03 -1.99 0.19 112.91 113.30 2kq2 h THR 96 Ca 0.25 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.65 2kq2 h THR 96 Cb 1.04 0.70 -0.01 0.00 -1.07 0.00 0.00 68.15 68.81 2kq2 h THR 96 CO -0.00 0.00 0.17 1.56 -0.01 0.00 0.00 175.52 177.24 2kq2 h GLN 97 N 0.00 0.37 -0.12 0.00 1.08 -1.33 0.36 115.11 115.47 2kq2 h GLN 97 Ca 0.22 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.28 2kq2 h GLN 97 Cb 1.02 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 2kq2 h GLN 97 CO -0.00 0.26 -0.45 0.00 -0.95 0.00 0.00 178.83 177.69 2kq2 h ALA 98 N 1.81 1.01 0.14 3.87 0.00 -1.13 -2.04 119.26 122.92 2kq2 h ALA 98 Ca 0.10 -0.44 -0.28 0.00 0.00 0.00 0.00 54.91 54.29 2kq2 h ALA 98 Cb -0.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.69 2kq2 h ALA 98 CO -0.02 0.63 -1.25 -0.92 0.00 0.00 0.00 179.25 177.69 2kq2 h TYR 99 N 0.24 0.64 0.00 0.00 3.20 -1.30 -3.24 116.97 116.51 2kq2 h TYR 99 Ca 0.02 -0.44 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 2kq2 h TYR 99 Cb 0.89 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 2kq2 h TYR 99 CO 0.02 1.33 -0.01 0.00 -1.64 0.00 0.00 178.16 177.85 2kq2 h ALA 100 N 0.50 1.03 0.00 1.82 0.00 -0.14 -1.12 119.26 121.35 2kq2 h ALA 100 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kq2 h ALA 100 Cb 1.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2kq2 h ALA 100 CO 0.22 0.02 0.00 1.17 0.00 0.00 0.00 179.25 180.65 2kq2 n LYS 101 N -3.15 0.59 0.08 0.00 4.81 -0.78 -2.57 118.16 117.13 2kq2 n LYS 101 Ca -0.01 0.03 -0.13 0.00 -0.87 0.00 0.00 58.31 57.32 2kq2 n LYS 101 Cb 0.19 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 33.66 2kq2 n LYS 101 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2kq2 h LEU 102 N 0.00 -0.12 -0.68 3.14 7.12 -1.38 -1.15 115.31 122.25 2kq2 h LEU 102 Ca 0.00 -0.11 -0.14 0.00 0.13 0.00 0.00 57.88 57.76 2kq2 h LEU 102 Cb 0.10 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.24 2kq2 h LEU 102 CO 0.00 0.04 -0.66 -0.03 -0.13 0.00 0.00 178.44 177.66 2kq2 h MET 103 N -0.27 0.01 0.00 1.25 4.05 -1.71 -3.05 114.93 115.21 2kq2 h MET 103 Ca -0.01 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 2kq2 h MET 103 Cb 0.22 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.02 2kq2 h MET 103 CO 0.02 0.66 -0.05 -0.97 0.23 0.00 0.00 176.91 176.80 2kq2 h ASN 104 N 0.01 0.00 -0.58 1.39 -0.73 -1.26 -0.67 115.58 113.74 2kq2 h ASN 104 Ca -0.01 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.22 2kq2 h ASN 104 Cb 1.16 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.72 2kq2 h ASN 104 CO 0.09 0.05 0.38 -0.61 -0.37 0.00 0.00 177.43 176.97 2kq2 h GLN 105 N 0.00 0.54 0.00 6.67 -0.00 -1.09 -1.06 115.11 120.16 2kq2 h GLN 105 Ca -0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 2kq2 h GLN 105 Cb 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 27.59 2kq2 h GLN 105 CO 0.01 0.36 -0.35 -0.92 0.00 0.00 0.00 178.83 177.93 2kq2 h TYR 106 N 0.55 0.00 -3.69 3.99 3.20 -1.30 -3.46 116.97 116.27 2kq2 h TYR 106 Ca 0.25 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.58 2kq2 h TYR 106 Cb 0.28 0.00 0.10 0.00 1.54 0.00 0.00 36.73 38.64 2kq2 h TYR 106 CO -0.00 0.08 0.82 0.50 -1.64 0.00 0.00 178.16 177.92 2kq2 s ARG 107 N -3.21 4.12 0.00 1.82 3.00 -0.40 -4.52 118.95 119.76 2kq2 s ARG 107 Ca 0.05 2.57 0.00 0.00 -1.00 0.00 0.00 55.73 57.34 2kq2 s ARG 107 Cb 0.06 -2.99 0.00 0.00 0.00 0.00 0.00 34.95 32.02 2kq2 s ARG 107 CO 0.71 -0.57 0.00 0.41 0.00 0.00 0.00 175.30 175.86 2kq2 n GLY 108 N 1.18 0.15 0.12 8.12 0.00 -1.26 -4.95 105.19 108.55 2kq2 n GLY 108 Ca 0.04 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 2kq2 n GLY 108 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kq2 h ILE 109 N 0.00 1.29 -2.86 -0.61 1.08 -1.88 -3.44 117.51 111.10 2kq2 h ILE 109 Ca 0.00 -2.86 -0.63 0.00 -0.39 0.00 0.00 64.86 60.98 2kq2 h ILE 109 Cb 0.00 2.89 -0.06 0.00 -3.07 0.00 0.00 36.82 36.58 2kq2 h ILE 109 CO 0.00 0.85 -0.40 -0.72 -0.69 0.00 0.00 178.15 177.19 2kq2 s TYR 110 N -2.62 3.59 -0.29 1.37 1.13 -1.26 -1.97 117.35 117.29 2kq2 s TYR 110 Ca -0.08 0.58 -0.16 0.00 -1.41 0.00 0.00 57.07 56.00 2kq2 s TYR 110 Cb 0.06 -1.99 0.18 0.00 -1.10 0.00 0.00 41.96 39.11 2kq2 s TYR 110 CO 0.88 0.64 1.11 -1.54 -2.51 0.00 0.00 175.55 174.13 2kq2 s SER 111 N -1.54 -0.30 -0.13 -0.18 1.04 -1.26 -4.85 113.70 106.47 2kq2 s SER 111 Ca 0.25 0.48 -0.06 0.00 0.48 0.00 0.00 55.95 57.09 2kq2 s SER 111 Cb -0.13 1.12 -0.04 0.00 0.10 0.00 0.00 66.02 67.07 2kq2 s SER 111 CO 0.14 -0.08 0.10 0.72 0.98 0.00 0.00 173.24 175.11 2kq2 s PHE 112 N 1.20 3.45 0.07 5.02 -0.71 -1.26 -4.74 117.98 121.00 2kq2 s PHE 112 Ca -0.09 0.39 0.05 0.00 -1.04 0.00 0.00 56.93 56.24 2kq2 s PHE 112 Cb -0.03 -1.96 -0.03 0.00 -1.21 0.00 0.00 43.02 39.80 2kq2 s PHE 112 CO -0.12 0.56 -0.13 -1.21 -1.34 0.00 0.00 175.22 172.98 2kq2 s GLU 113 N -0.66 0.77 -1.25 1.99 2.02 -1.26 -4.94 118.70 115.36 2kq2 s GLU 113 Ca 0.12 -0.92 -0.14 0.00 0.02 0.00 0.00 54.97 54.05 2kq2 s GLU 113 Cb -0.12 -0.73 0.14 0.00 0.10 0.00 0.00 34.13 33.53 2kq2 s GLU 113 CO 0.02 0.16 1.57 1.63 0.02 0.00 0.00 175.26 178.66 2kq2 n LYS 114 N 1.32 3.33 -4.39 1.61 5.02 -1.26 -4.74 118.16 119.05 2kq2 n LYS 114 Ca -0.21 -3.65 -0.20 0.00 -2.02 0.00 0.00 58.31 52.23 2kq2 n LYS 114 Cb 0.54 -3.16 -0.10 0.00 -0.02 0.00 0.00 35.03 32.29 2kq2 n LYS 114 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2kq2 s VAL 115 N 2.20 1.61 0.10 -0.18 -7.23 -1.26 -5.11 120.40 110.53 2kq2 s VAL 115 Ca 0.46 -2.15 -0.31 0.00 -1.81 0.00 0.00 61.98 58.17 2kq2 s VAL 115 Cb 0.00 -2.28 -0.07 0.00 0.56 0.00 0.00 36.38 34.59 2kq2 s VAL 115 CO 0.02 -0.42 1.34 -1.59 -0.31 0.00 0.00 175.10 174.14 2kq2 s LYS 116 N -3.71 4.35 0.00 4.82 0.00 -1.26 -4.91 119.74 119.03 2kq2 s LYS 116 Ca 0.27 1.99 0.00 0.00 0.00 0.00 0.00 55.97 58.23 2kq2 s LYS 116 Cb 0.02 -3.27 0.00 0.00 0.00 0.00 0.00 37.83 34.58 2kq2 s LYS 116 CO 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 175.35 175.06 2kq2 n ALA 117 N 3.93 0.00 -2.07 0.59 0.00 -1.26 -5.01 120.51 116.68 2kq2 n ALA 117 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2kq2 n ALA 117 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 2kq2 n ALA 117 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2kq2 n HIS 118 N 0.00 0.00 -1.41 0.00 1.44 -1.26 -4.91 115.22 109.08 2kq2 n HIS 118 Ca 0.00 -0.10 -0.25 0.00 -2.01 0.00 0.00 57.72 55.37 2kq2 n HIS 118 Cb 0.00 0.02 0.12 0.00 0.12 0.00 0.00 29.99 30.26 2kq2 n HIS 118 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2kq2 n SER 119 N 0.07 5.23 0.00 4.39 7.64 -1.26 -4.95 113.62 124.73 2kq2 n SER 119 Ca -0.00 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.14 2kq2 n SER 119 Cb 0.72 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2kq2 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kq2 n GLY 120 N -1.00 0.47 3.91 0.23 0.00 -1.26 -5.04 105.19 102.50 2kq2 n GLY 120 Ca 0.54 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2kq2 n GLY 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kq2 s ASN 121 N -1.10 5.90 0.00 1.61 3.84 -1.26 -4.94 114.94 118.99 2kq2 s ASN 121 Ca 0.00 0.83 0.12 0.00 0.21 0.00 0.00 52.86 54.02 2kq2 s ASN 121 Cb 0.00 -1.96 0.72 0.00 -0.55 0.00 0.00 41.25 39.45 2kq2 s ASN 121 CO 0.00 -0.85 1.27 -0.62 -2.79 0.00 0.00 177.10 174.11 2kq2 n GLU 122 N -2.46 0.75 0.31 0.43 1.02 -1.26 -2.71 120.64 116.72 2kq2 n GLU 122 Ca 0.03 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.34 2kq2 n GLU 122 Cb 0.56 -1.25 0.99 0.00 -0.02 0.00 0.00 31.44 31.72 2kq2 n GLU 122 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 2kq2 h PHE 123 N 0.00 0.00 0.00 -0.32 0.04 -1.99 -0.89 116.94 113.77 2kq2 h PHE 123 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2kq2 h PHE 123 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2kq2 h PHE 123 CO 0.00 0.01 -0.05 -2.95 -0.60 0.00 0.00 178.31 174.72 2kq2 h ASN 124 N 0.00 0.00 0.54 2.17 -1.07 -1.84 0.14 115.58 115.52 2kq2 h ASN 124 Ca -0.00 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.17 2kq2 h ASN 124 Cb 0.04 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.28 2kq2 h ASN 124 CO 0.00 0.05 -0.88 -0.78 0.07 0.00 0.00 177.43 175.89 2kq2 h ASP 125 N 0.00 0.30 -0.56 6.14 3.58 -1.43 -1.70 116.42 122.76 2kq2 h ASP 125 Ca -0.00 -0.24 -0.06 0.00 0.42 0.00 0.00 57.03 57.14 2kq2 h ASP 125 Cb 0.09 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2kq2 h ASP 125 CO 0.01 1.04 0.10 0.22 -2.88 0.00 0.00 179.24 177.73 2kq2 h TYR 126 N 0.13 0.97 0.00 0.28 3.20 -0.88 -2.30 116.97 118.37 2kq2 h TYR 126 Ca -0.05 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.69 2kq2 h TYR 126 Cb 1.51 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.51 2kq2 h TYR 126 CO 0.03 0.85 -0.02 -0.24 -1.64 0.00 0.00 178.16 177.14 2kq2 h VAL 127 N 0.81 0.04 -0.60 1.81 3.04 -0.85 -3.07 116.25 117.43 2kq2 h VAL 127 Ca 0.17 -0.92 -0.00 0.00 -1.01 0.00 0.00 66.70 64.94 2kq2 h VAL 127 Cb 0.39 1.88 -0.03 0.00 -2.01 0.00 0.00 31.29 31.53 2kq2 h VAL 127 CO 0.01 0.02 0.37 -0.78 -1.01 0.00 0.00 177.57 176.18 2kq2 h ASP 128 N 0.00 0.72 0.07 3.17 1.82 -0.75 -0.96 116.42 120.49 2kq2 h ASP 128 Ca -0.00 -0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.51 2kq2 h ASP 128 Cb 0.88 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.69 2kq2 h ASP 128 CO 0.00 0.56 -0.26 0.24 -1.61 0.00 0.00 179.24 178.16 2kq2 h MET 129 N 0.82 0.31 -0.14 0.28 2.86 -1.38 -2.19 114.93 115.49 2kq2 h MET 129 Ca 0.22 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2kq2 h MET 129 Cb -0.04 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2kq2 h MET 129 CO -0.04 0.56 0.08 0.87 1.06 0.00 0.00 176.91 179.44 2kq2 h LYS 130 N 0.28 0.18 -1.00 1.72 6.56 -1.35 -2.61 116.57 120.35 2kq2 h LYS 130 Ca 0.04 -0.02 0.05 0.00 -1.06 0.00 0.00 60.65 59.66 2kq2 h LYS 130 Cb 0.62 -0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 32.18 2kq2 h LYS 130 CO 0.04 0.16 0.66 0.00 -2.06 0.00 0.00 179.45 178.25 2kq2 h ALA 131 N 1.02 1.36 -0.21 3.86 0.00 -0.80 0.14 119.26 124.63 2kq2 h ALA 131 Ca 0.05 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2kq2 h ALA 131 Cb 0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 2kq2 h ALA 131 CO -0.01 0.52 -0.07 0.87 0.00 0.00 0.00 179.25 180.57 2kq2 h LYS 132 N 1.24 -0.02 -0.02 0.00 1.79 -1.19 -2.84 116.57 115.53 2kq2 h LYS 132 Ca 0.41 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.70 2kq2 h LYS 132 Cb 0.05 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 2kq2 h LYS 132 CO -0.14 -0.02 -0.78 1.03 -1.08 0.00 0.00 179.45 178.46 2kq2 h SER 133 N -0.02 0.23 0.00 0.86 0.87 -0.99 -2.98 113.55 111.52 2kq2 h SER 133 Ca 0.11 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 2kq2 h SER 133 Cb 0.18 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2kq2 h SER 133 CO -0.23 0.92 -0.07 0.00 -0.53 0.00 0.00 176.83 176.93 2kq2 h ALA 134 N 1.07 1.68 -0.00 6.23 0.00 -0.52 -1.75 119.26 125.97 2kq2 h ALA 134 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kq2 h ALA 134 Cb 1.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2kq2 h ALA 134 CO 0.12 0.24 -0.16 1.28 0.00 0.00 0.00 179.25 180.73 2kq2 n LEU 135 N -4.37 0.26 0.00 0.00 7.99 -1.18 -4.85 117.00 114.85 2kq2 n LEU 135 Ca -0.01 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 2kq2 n LEU 135 Cb 0.20 -0.34 0.00 0.00 -0.11 0.00 0.00 43.42 43.17 2kq2 n LEU 135 CO 0.36 0.06 0.00 0.61 -1.51 0.00 0.00 177.39 176.91 2kq2 n GLY 136 N 1.43 1.15 3.45 -0.72 0.00 -0.66 -5.06 105.19 104.78 2kq2 n GLY 136 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 2kq2 n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kq2 s ILE 137 N -2.00 4.73 -0.07 -0.61 1.01 -1.13 -5.01 121.20 118.13 2kq2 s ILE 137 Ca 0.00 -1.57 -0.11 0.00 0.00 0.00 0.00 60.65 58.96 2kq2 s ILE 137 Cb 0.00 -4.78 -0.05 0.00 0.01 0.00 0.00 42.46 37.65 2kq2 s ILE 137 CO 0.00 -1.50 0.29 -0.60 0.00 0.00 0.00 174.94 173.12 2kq2 s ARG 138 N 2.68 3.76 -0.25 2.79 6.06 -1.26 -3.65 118.95 129.08 2kq2 s ARG 138 Ca 0.32 0.15 -0.01 0.00 -2.50 0.00 0.00 55.73 53.70 2kq2 s ARG 138 Cb -0.05 -3.23 0.00 0.00 0.06 0.00 0.00 34.95 31.73 2kq2 s ARG 138 CO -0.09 0.68 0.02 -0.25 -2.50 0.00 0.00 175.30 173.15 2kq2 n ASP 139 N 2.08 -7.73 0.22 -2.12 8.00 -1.26 -4.84 116.55 110.90 2kq2 n ASP 139 Ca -0.16 1.20 0.08 0.00 0.71 0.00 0.00 54.79 56.61 2kq2 n ASP 139 Cb 0.53 -4.55 0.52 0.00 -0.02 0.00 0.00 41.12 37.60 2kq2 n ASP 139 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2kq2 h LEU 140 N 3.15 0.00 -1.62 0.64 3.38 -2.01 -2.56 115.31 116.28 2kq2 h LEU 140 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2kq2 h LEU 140 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2kq2 h LEU 140 CO 0.08 0.24 -0.20 -0.33 0.09 0.00 0.00 178.44 178.33 2kq2 h GLU 141 N 0.00 0.00 -5.40 1.13 4.39 -2.00 -3.37 114.58 109.33 2kq2 h GLU 141 Ca -0.00 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.03 2kq2 h GLU 141 Cb 0.52 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.03 2kq2 h GLU 141 CO 0.03 0.20 1.29 -1.58 -1.16 0.00 0.00 179.01 177.79 2kq2 s HIS 142 N -4.13 2.97 0.06 4.33 2.46 -0.97 -4.89 115.29 115.13 2kq2 s HIS 142 Ca -0.02 -1.39 -0.26 0.00 0.47 0.00 0.00 55.06 53.86 2kq2 s HIS 142 Cb 0.13 -4.47 0.09 0.00 -0.13 0.00 0.00 32.58 28.20 2kq2 s HIS 142 CO 0.63 -1.65 0.76 -1.01 -2.47 0.00 0.00 174.74 171.01 2kq2 s HIS 143 N 3.36 -0.43 -0.27 3.88 3.76 -1.26 -5.02 115.29 119.30 2kq2 s HIS 143 Ca 0.41 0.28 -0.03 0.00 -0.15 0.00 0.00 55.06 55.58 2kq2 s HIS 143 Cb -0.02 0.54 0.09 0.00 1.11 0.00 0.00 32.58 34.30 2kq2 s HIS 143 CO -0.06 -0.67 0.10 -1.01 -0.85 0.00 0.00 174.74 172.25 2kq2 s HIS 144 N -3.32 1.00 -0.19 1.40 3.76 -1.26 -5.11 115.29 111.56 2kq2 s HIS 144 Ca 0.03 -1.18 -0.29 0.00 -0.15 0.00 0.00 55.06 53.46 2kq2 s HIS 144 Cb -0.01 -1.24 -0.00 0.00 1.11 0.00 0.00 32.58 32.44 2kq2 s HIS 144 CO -0.10 -0.79 1.14 -3.38 -0.85 0.00 0.00 174.74 170.76 2kq2 s HIS 145 N 1.86 3.12 0.19 1.40 -3.43 -1.26 -4.89 115.29 112.29 2kq2 s HIS 145 Ca 0.07 1.26 -0.06 0.00 -0.80 0.00 0.00 55.06 55.53 2kq2 s HIS 145 Cb -0.17 -3.37 0.12 0.00 -1.43 0.00 0.00 32.58 27.73 2kq2 s HIS 145 CO -0.25 -1.03 1.58 0.45 -2.00 0.00 0.00 174.74 173.49 2kq2 h HIS 146 N 7.77 0.94 0.00 0.38 3.86 -2.09 -3.58 115.15 122.43 2kq2 h HIS 146 Ca -0.23 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 2kq2 h HIS 146 Cb 1.08 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.34 2kq2 h HIS 146 CO 0.77 0.99 0.00 0.72 0.86 0.00 0.00 177.93 181.27