#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 4.34 -4.04 6.12 2.03 -1.26 -4.85 116.55 118.88 2kq2 n ASP 2 Ca 0.00 -2.89 -0.31 0.00 0.52 0.00 0.00 54.79 52.10 2kq2 n ASP 2 Cb 0.00 -1.66 -0.15 0.00 -0.72 0.00 0.00 41.12 38.59 2kq2 n ASP 2 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2kq2 s ASP 3 N 3.22 4.65 0.00 1.67 1.47 -1.26 -4.93 116.67 121.50 2kq2 s ASP 3 Ca 0.48 -1.88 0.14 0.00 1.18 0.00 0.00 52.55 52.47 2kq2 s ASP 3 Cb 0.10 -1.60 0.09 0.00 -0.34 0.00 0.00 42.92 41.17 2kq2 s ASP 3 CO -0.03 -0.31 0.90 0.54 0.68 0.00 0.00 175.17 176.95 2kq2 n ARG 4 N 4.32 1.06 -2.44 2.11 1.74 -1.26 -5.00 116.66 117.19 2kq2 n ARG 4 Ca -0.03 -1.22 -0.36 0.00 -0.77 0.00 0.00 57.85 55.47 2kq2 n ARG 4 Cb 0.42 -1.25 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 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 -1.22 3.50 0.31 0.55 -4.23 -1.26 -4.98 115.64 108.31 2kq2 s THR 5 Ca 0.15 1.12 -0.29 0.00 -1.18 0.00 0.00 61.69 61.49 2kq2 s THR 5 Cb 0.11 -3.56 -0.11 0.00 1.34 0.00 0.00 72.50 70.28 2kq2 s THR 5 CO 0.20 -0.02 1.47 -1.83 -0.54 0.00 0.00 174.62 173.89 2kq2 s GLU 6 N -2.63 4.20 0.24 3.99 -1.05 -1.26 -4.77 118.70 117.42 2kq2 s GLU 6 Ca 0.61 2.44 -0.30 0.00 -0.15 0.00 0.00 54.97 57.57 2kq2 s GLU 6 Cb -0.24 -3.04 -0.09 0.00 -0.44 0.00 0.00 34.13 30.32 2kq2 s GLU 6 CO 0.30 -0.47 1.16 0.71 0.95 0.00 0.00 175.26 177.91 2kq2 s TYR 7 N -0.56 3.46 -0.09 4.83 2.02 -1.00 -4.81 117.35 121.21 2kq2 s TYR 7 Ca 0.56 1.55 0.03 0.00 -0.37 0.00 0.00 57.07 58.84 2kq2 s TYR 7 Cb -0.44 -3.39 -0.02 0.00 -0.40 0.00 0.00 41.96 37.71 2kq2 s TYR 7 CO 0.52 -0.97 -0.18 0.34 -1.57 0.00 0.00 175.55 173.70 2kq2 s ASP 8 N -0.37 3.68 -0.13 2.29 2.15 -0.96 -3.48 116.67 119.84 2kq2 s ASP 8 Ca 0.49 -0.36 -0.00 0.00 0.43 0.00 0.00 52.55 53.10 2kq2 s ASP 8 Cb -0.33 -1.18 0.03 0.00 -0.30 0.00 0.00 42.92 41.13 2kq2 s ASP 8 CO 0.40 0.23 -0.09 0.68 -0.17 0.00 0.00 175.17 176.22 2kq2 s VAL 9 N -0.08 1.23 -0.01 1.11 -7.23 -1.26 -1.54 120.40 112.63 2kq2 s VAL 9 Ca -0.04 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.67 2kq2 s VAL 9 Cb -0.14 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 2kq2 s VAL 9 CO 0.04 0.36 0.03 -0.31 -0.31 0.00 0.00 175.10 174.91 2kq2 s TYR 10 N 1.62 3.17 -0.27 2.82 2.02 0.48 -4.76 117.35 122.43 2kq2 s TYR 10 Ca 0.04 0.14 -0.04 0.00 -0.37 0.00 0.00 57.07 56.85 2kq2 s TYR 10 Cb -0.13 -1.71 0.10 0.00 -0.40 0.00 0.00 41.96 39.82 2kq2 s TYR 10 CO -0.09 0.50 0.14 -0.08 -1.57 0.00 0.00 175.55 174.45 2kq2 s THR 11 N -1.11 -0.11 -0.02 -0.71 -1.32 -1.26 0.01 115.64 111.13 2kq2 s THR 11 Ca 0.20 -0.62 -0.17 0.00 -1.21 0.00 0.00 61.69 59.88 2kq2 s THR 11 Cb -0.12 -0.91 -0.05 0.00 -1.51 0.00 0.00 72.50 69.91 2kq2 s THR 11 CO 0.11 -0.62 0.49 -0.62 -2.21 0.00 0.00 174.62 171.76 2kq2 s ASP 12 N 2.13 6.86 -0.04 8.08 -1.08 -0.59 -4.92 116.67 127.11 2kq2 s ASP 12 Ca 0.08 1.02 0.21 0.00 -0.52 0.00 0.00 52.55 53.33 2kq2 s ASP 12 Cb -0.16 -2.30 0.36 0.00 -1.46 0.00 0.00 42.92 39.37 2kq2 s ASP 12 CO -0.32 0.20 1.14 0.61 0.52 0.00 0.00 175.17 177.32 2kq2 n GLY 13 N 2.28 1.03 3.51 2.66 0.00 -1.26 -1.68 105.19 111.73 2kq2 n GLY 13 Ca -0.10 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.01 6.28 0.27 1.61 0.15 -1.26 -4.68 113.70 114.06 2kq2 s SER 14 Ca 0.27 -0.53 -0.30 0.00 0.70 0.00 0.00 55.95 56.08 2kq2 s SER 14 Cb 0.32 -2.45 -0.12 0.00 -1.71 0.00 0.00 66.02 62.06 2kq2 s SER 14 CO -0.12 -1.36 1.63 -0.72 1.20 0.00 0.00 173.24 173.87 2kq2 s TYR 15 N 4.20 2.78 -0.06 3.44 1.13 -1.26 -4.73 117.35 122.85 2kq2 s TYR 15 Ca 0.29 0.66 0.04 0.00 -1.41 0.00 0.00 57.07 56.65 2kq2 s TYR 15 Cb -0.13 -4.10 0.00 0.00 -1.10 0.00 0.00 41.96 36.63 2kq2 s TYR 15 CO 0.16 -3.81 -0.18 0.54 -2.51 0.00 0.00 175.55 169.76 2kq2 s VAL 16 N 0.30 1.53 -1.86 -3.49 0.11 0.11 -4.65 120.40 112.43 2kq2 s VAL 16 Ca 0.66 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 2kq2 s VAL 16 Cb -0.48 -1.33 0.00 0.00 -1.53 0.00 0.00 36.38 33.03 2kq2 s VAL 16 CO 0.44 0.44 0.00 0.59 -3.33 0.00 0.00 175.10 173.24 2kq2 n ASN 17 N 3.44 -5.77 0.00 3.54 3.02 -1.26 -1.12 115.26 117.10 2kq2 n ASN 17 Ca -0.20 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 2kq2 n ASN 17 Cb 0.52 -4.87 0.00 0.00 -0.61 0.00 0.00 39.78 34.82 2kq2 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kq2 n GLY 18 N -0.87 0.91 3.37 7.41 0.00 -1.26 -5.03 105.19 109.73 2kq2 n GLY 18 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 3.43 0.25 1.61 -1.52 -0.28 -5.08 119.66 117.79 2kq2 s GLN 19 Ca 0.00 -0.64 0.06 0.00 -1.95 0.00 0.00 55.36 52.83 2kq2 s GLN 19 Cb 0.00 -2.80 -0.03 0.00 -0.22 0.00 0.00 33.01 29.96 2kq2 s GLN 19 CO 0.00 0.08 0.26 1.52 -0.25 0.00 0.00 175.29 176.91 2kq2 s TYR 20 N 0.72 3.25 0.25 0.91 -0.85 -1.26 0.05 117.35 120.42 2kq2 s TYR 20 Ca -0.04 -0.07 -0.15 0.00 -0.52 0.00 0.00 57.07 56.29 2kq2 s TYR 20 Cb -0.15 -1.47 0.00 0.00 0.38 0.00 0.00 41.96 40.72 2kq2 s TYR 20 CO 0.02 0.49 0.54 0.00 -1.52 0.00 0.00 175.55 175.08 2kq2 s ALA 21 N -2.07 -0.51 -0.03 9.51 0.00 -1.26 -4.41 121.76 123.00 2kq2 s ALA 21 Ca 0.33 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2kq2 s ALA 21 Cb -0.08 1.01 0.03 0.00 0.00 0.00 0.00 23.12 24.07 2kq2 s ALA 21 CO 0.27 -0.90 -0.01 1.67 0.00 0.00 0.00 175.76 176.79 2kq2 s TRP 22 N -3.99 0.37 0.02 0.00 1.48 -0.35 -4.16 118.94 112.31 2kq2 s TRP 22 Ca 0.19 -0.03 -0.07 0.00 -1.06 0.00 0.00 56.10 55.14 2kq2 s TRP 22 Cb -0.02 -0.44 -0.00 0.00 -1.16 0.00 0.00 33.47 31.84 2kq2 s TRP 22 CO 0.08 -0.14 0.13 0.00 -4.06 0.00 0.00 176.95 172.96 2kq2 s ALA 23 N 1.01 -0.24 -0.03 2.67 0.00 -0.68 -0.92 121.76 123.58 2kq2 s ALA 23 Ca -0.10 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 51.64 2kq2 s ALA 23 Cb -0.14 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2kq2 s ALA 23 CO -0.01 -0.26 -0.22 0.71 0.00 0.00 0.00 175.76 175.98 2kq2 s TYR 24 N -1.88 2.05 -0.22 0.00 1.51 -0.10 -1.54 117.35 117.18 2kq2 s TYR 24 Ca -0.11 -0.46 -0.02 0.00 -1.01 0.00 0.00 57.07 55.47 2kq2 s TYR 24 Cb -0.05 -1.33 0.06 0.00 -0.11 0.00 0.00 41.96 40.53 2kq2 s TYR 24 CO -0.01 -0.09 0.01 0.00 -1.11 0.00 0.00 175.55 174.36 2kq2 s ALA 25 N -0.38 1.33 -0.45 3.71 0.00 0.10 -2.28 121.76 123.80 2kq2 s ALA 25 Ca 0.05 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 2kq2 s ALA 25 Cb -0.10 -1.29 0.05 0.00 0.00 0.00 0.00 23.12 21.78 2kq2 s ALA 25 CO 0.00 -1.22 0.39 -0.06 0.00 0.00 0.00 175.76 174.87 2kq2 s PHE 26 N 1.70 3.22 -0.07 0.00 0.40 0.52 -0.38 117.98 123.36 2kq2 s PHE 26 Ca -0.02 -0.73 0.01 0.00 -0.60 0.00 0.00 56.93 55.60 2kq2 s PHE 26 Cb -0.18 -2.99 -0.03 0.00 0.51 0.00 0.00 43.02 40.34 2kq2 s PHE 26 CO -0.09 -0.74 -0.07 0.54 0.70 0.00 0.00 175.22 175.56 2kq2 s VAL 27 N 1.79 3.65 -0.06 -0.44 0.11 -0.59 0.27 120.40 125.14 2kq2 s VAL 27 Ca 0.06 -0.49 -0.04 0.00 -2.93 0.00 0.00 61.98 58.58 2kq2 s VAL 27 Cb -0.21 -2.49 0.03 0.00 -1.53 0.00 0.00 36.38 32.17 2kq2 s VAL 27 CO 0.09 0.59 0.15 -1.59 -3.33 0.00 0.00 175.10 171.01 2kq2 s LYS 28 N -0.71 0.13 0.00 1.54 0.00 0.19 -2.27 119.74 118.62 2kq2 s LYS 28 Ca 0.11 0.31 0.00 0.00 0.00 0.00 0.00 55.97 56.38 2kq2 s LYS 28 Cb -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 37.83 37.65 2kq2 s LYS 28 CO 0.02 -0.10 0.00 -3.47 0.00 0.00 0.00 175.35 171.79 2kq2 n ASP 29 N 3.70 -4.76 0.00 0.03 2.03 -1.26 -0.10 116.55 116.20 2kq2 n ASP 29 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 2kq2 n ASP 29 Cb 0.55 -2.80 0.00 0.00 -0.72 0.00 0.00 41.12 38.15 2kq2 n ASP 29 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kq2 n GLY 30 N -0.06 0.50 3.84 0.27 0.00 -1.26 -5.06 105.19 103.42 2kq2 n GLY 30 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2kq2 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kq2 s LYS 31 N -0.85 3.00 -0.28 1.61 -0.14 0.86 -5.08 119.74 118.86 2kq2 s LYS 31 Ca 0.00 -0.98 -0.24 0.00 -1.36 0.00 0.00 55.97 53.39 2kq2 s LYS 31 Cb 0.00 -2.63 -0.00 0.00 -1.68 0.00 0.00 37.83 33.52 2kq2 s LYS 31 CO 0.00 0.42 0.81 0.08 -0.76 0.00 0.00 175.35 175.90 2kq2 s VAL 32 N -2.04 4.80 -0.06 3.17 1.01 -1.26 -0.64 120.40 125.38 2kq2 s VAL 32 Ca 0.33 1.33 -0.07 0.00 0.00 0.00 0.00 61.98 63.56 2kq2 s VAL 32 Cb -0.08 -4.14 -0.28 0.00 0.00 0.00 0.00 36.38 31.87 2kq2 s VAL 32 CO 0.25 -0.19 0.61 -0.74 0.00 0.00 0.00 175.10 175.03 2kq2 h HIS 33 N 7.97 0.57 -2.58 5.22 2.76 -0.50 -3.48 115.15 125.12 2kq2 h HIS 33 Ca -0.24 -0.41 -0.10 0.00 -2.20 0.00 0.00 60.37 57.42 2kq2 h HIS 33 Cb 1.09 -0.02 -0.22 0.00 1.55 0.00 0.00 27.41 29.81 2kq2 h HIS 33 CO 0.77 1.63 -0.13 0.71 -1.30 0.00 0.00 177.93 179.61 2kq2 s TYR 34 N -2.58 -0.49 -0.08 5.26 2.02 -0.88 -5.00 117.35 115.61 2kq2 s TYR 34 Ca -0.16 1.10 -0.07 0.00 -0.37 0.00 0.00 57.07 57.56 2kq2 s TYR 34 Cb 0.06 0.19 0.02 0.00 -0.40 0.00 0.00 41.96 41.84 2kq2 s TYR 34 CO 0.83 -0.32 0.21 -1.83 -1.57 0.00 0.00 175.55 172.87 2kq2 s GLU 35 N -0.20 0.25 -0.19 -0.62 -1.05 -1.26 -0.36 118.70 115.27 2kq2 s GLU 35 Ca -0.04 0.30 -0.28 0.00 -0.15 0.00 0.00 54.97 54.80 2kq2 s GLU 35 Cb -0.03 0.12 0.12 0.00 -0.44 0.00 0.00 34.13 33.89 2kq2 s GLU 35 CO 0.02 -0.03 0.96 0.34 0.95 0.00 0.00 175.26 177.50 2kq2 s ASP 36 N 0.14 -0.45 -0.04 0.83 -1.08 -0.96 -5.03 116.67 110.09 2kq2 s ASP 36 Ca -0.00 0.64 -0.02 0.00 -0.52 0.00 0.00 52.55 52.65 2kq2 s ASP 36 Cb -0.02 0.57 0.02 0.00 -1.46 0.00 0.00 42.92 42.04 2kq2 s ASP 36 CO 0.00 -0.31 0.08 0.00 0.52 0.00 0.00 175.17 175.46 2kq2 s ALA 37 N -0.62 -0.14 0.29 3.66 0.00 -1.26 -0.92 121.76 122.77 2kq2 s ALA 37 Ca -0.01 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.34 2kq2 s ALA 37 Cb -0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2kq2 s ALA 37 CO 0.00 -0.09 0.19 0.34 0.00 0.00 0.00 175.76 176.20 2kq2 s ASP 38 N 0.60 1.26 0.29 0.00 -1.08 -0.10 -4.97 116.67 112.68 2kq2 s ASP 38 Ca -0.05 -1.58 0.04 0.00 -0.52 0.00 0.00 52.55 50.44 2kq2 s ASP 38 Cb -0.07 0.44 -0.06 0.00 -1.46 0.00 0.00 42.92 41.78 2kq2 s ASP 38 CO -0.02 -0.93 0.03 0.68 0.52 0.00 0.00 175.17 175.45 2kq2 s VAL 39 N -3.68 1.16 0.01 1.11 -7.23 -1.26 -1.21 120.40 109.29 2kq2 s VAL 39 Ca 0.38 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 2kq2 s VAL 39 Cb 0.05 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.35 2kq2 s VAL 39 CO 0.19 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 2kq2 n GLY 40 N -0.59 -3.66 3.10 2.32 0.00 -1.26 -4.91 105.19 100.18 2kq2 n GLY 40 Ca -0.03 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 2kq2 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kq2 s LYS 41 N -3.12 2.79 0.13 1.61 1.02 -1.26 -4.96 119.74 115.96 2kq2 s LYS 41 Ca 0.00 -2.73 0.07 0.00 0.02 0.00 0.00 55.97 53.33 2kq2 s LYS 41 Cb 0.00 -3.81 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 2kq2 s LYS 41 CO 0.00 -1.20 -0.17 -0.80 -0.92 0.00 0.00 175.35 172.25 2kq2 s ASN 42 N 0.50 2.38 0.56 2.83 0.01 -1.26 -5.03 114.94 114.93 2kq2 s ASN 42 Ca 0.20 -0.79 0.25 0.00 -0.71 0.00 0.00 52.86 51.80 2kq2 s ASN 42 Cb -0.16 -0.12 1.60 0.00 0.41 0.00 0.00 41.25 42.98 2kq2 s ASN 42 CO -0.06 -0.05 2.20 1.55 -1.51 0.00 0.00 177.10 179.23 2kq2 h PRO 43 N 3.58 0.00 0.00 -0.60 0.13 -2.03 -1.01 132.00 132.07 2kq2 h PRO 43 Ca -0.42 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 2kq2 h PRO 43 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kq2 h PRO 43 CO 0.48 0.02 -0.28 0.00 -0.23 0.00 0.00 178.00 177.98 2kq2 h ALA 44 N 1.98 1.09 -0.00 -0.56 0.00 -1.99 -2.79 119.26 116.99 2kq2 h ALA 44 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kq2 h ALA 44 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kq2 h ALA 44 CO 0.00 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.60 2kq2 n ALA 45 N -2.28 2.61 0.10 0.00 0.00 -0.38 -3.13 120.51 117.42 2kq2 n ALA 45 Ca -0.01 -0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.14 2kq2 n ALA 45 Cb 0.43 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.43 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 3.62 0.11 0.06 0.00 0.00 -1.59 -3.34 119.26 118.12 2kq2 h ALA 46 Ca 0.00 -0.92 -0.33 0.00 0.00 0.00 0.00 54.91 53.66 2kq2 h ALA 46 Cb 0.01 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2kq2 h ALA 46 CO 0.00 0.99 -1.86 2.41 0.00 0.00 0.00 179.25 180.79 2kq2 n THR 47 N -3.53 1.70 -3.85 0.00 -1.04 -1.18 -4.65 114.28 101.73 2kq2 n THR 47 Ca -0.10 -0.73 -0.30 0.00 -2.04 0.00 0.00 64.05 60.89 2kq2 n THR 47 Cb 1.03 -1.39 -0.11 0.00 -1.82 0.00 0.00 70.33 68.04 2kq2 n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kq2 s MET 48 N -2.58 2.65 0.00 -2.82 0.23 -1.21 -4.67 119.30 110.90 2kq2 s MET 48 Ca -0.14 -3.35 0.00 0.00 -1.03 0.00 0.00 55.69 51.17 2kq2 s MET 48 Cb 0.07 -3.54 0.00 0.00 -1.53 0.00 0.00 34.83 29.83 2kq2 s MET 48 CO 0.80 -1.28 0.00 2.89 -2.03 0.00 0.00 175.02 175.39 2kq2 n ARG 49 N 2.02 2.79 0.00 3.16 1.85 -1.25 -4.68 116.66 120.54 2kq2 n ARG 49 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 2kq2 n ARG 49 Cb 0.35 -0.69 0.00 0.00 -1.05 0.00 0.00 32.46 31.07 2kq2 n ARG 49 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2kq2 n ASN 50 N -0.78 0.00 -0.07 2.89 3.02 -1.26 -4.70 115.26 114.36 2kq2 n ASN 50 Ca 0.00 0.00 0.25 0.00 -0.03 0.00 0.00 54.58 54.80 2kq2 n ASN 50 Cb 0.08 0.00 0.71 0.00 -0.61 0.00 0.00 39.78 39.96 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 0.40 -0.95 2.41 2.07 -1.98 -1.44 116.25 116.76 2kq2 h VAL 51 Ca 0.00 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.79 2kq2 h VAL 51 Cb 0.00 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2kq2 h VAL 51 CO 0.00 0.00 0.68 0.00 0.02 0.00 0.00 177.57 178.27 2kq2 h ALA 52 N 1.41 2.86 -0.11 1.67 0.00 -1.98 0.15 119.26 123.27 2kq2 h ALA 52 Ca 0.33 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 2kq2 h ALA 52 Cb 1.58 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 2kq2 h ALA 52 CO -0.00 -1.14 -0.69 0.78 0.00 0.00 0.00 179.25 178.20 2kq2 h GLY 53 N 0.02 0.50 0.81 0.00 0.00 -1.67 -2.04 103.07 100.69 2kq2 h GLY 53 Ca 0.45 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 2kq2 h GLY 53 CO -0.02 0.60 -0.29 0.83 0.00 0.00 0.00 176.54 177.66 2kq2 h GLU 54 N 0.32 0.46 -0.06 4.80 3.07 -0.91 -2.20 114.58 120.07 2kq2 h GLU 54 Ca -0.02 -0.30 -0.10 0.00 -0.50 0.00 0.00 59.36 58.44 2kq2 h GLU 54 Cb 1.25 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.18 2kq2 h GLU 54 CO 0.12 0.90 -0.44 -0.84 -1.40 0.00 0.00 179.01 177.35 2kq2 h ILE 55 N 0.09 1.32 -0.60 3.13 3.07 -1.40 -2.31 117.51 120.81 2kq2 h ILE 55 Ca 0.01 -1.55 -0.09 0.00 1.55 0.00 0.00 64.86 64.78 2kq2 h ILE 55 Cb 0.88 1.76 -0.02 0.00 -0.27 0.00 0.00 36.82 39.16 2kq2 h ILE 55 CO 0.06 0.45 0.02 0.00 -1.05 0.00 0.00 178.15 177.63 2kq2 h ALA 56 N 1.44 0.90 -0.20 0.16 0.00 -1.34 -2.54 119.26 117.69 2kq2 h ALA 56 Ca 0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2kq2 h ALA 56 Cb 0.82 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2kq2 h ALA 56 CO 0.06 0.66 -0.04 0.00 0.00 0.00 0.00 179.25 179.93 2kq2 h ALA 57 N 1.06 1.57 -0.40 0.00 0.00 -0.89 -1.27 119.26 119.33 2kq2 h ALA 57 Ca 0.17 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2kq2 h ALA 57 Cb 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2kq2 h ALA 57 CO 0.03 0.31 -0.12 0.00 0.00 0.00 0.00 179.25 179.47 2kq2 h ALA 58 N 1.68 1.04 -0.50 0.00 0.00 -1.05 -1.61 119.26 118.82 2kq2 h ALA 58 Ca 0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2kq2 h ALA 58 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2kq2 h ALA 58 CO 0.01 0.58 0.14 1.25 0.00 0.00 0.00 179.25 181.24 2kq2 h LEU 59 N 0.65 0.74 -1.22 0.00 5.85 -0.86 -0.99 115.31 119.49 2kq2 h LEU 59 Ca 0.11 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 2kq2 h LEU 59 Cb 0.58 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2kq2 h LEU 59 CO 0.04 0.77 -0.07 1.88 -0.34 0.00 0.00 178.44 180.71 2kq2 h TYR 60 N 0.69 0.47 -0.46 1.25 0.05 -1.22 -1.94 116.97 115.80 2kq2 h TYR 60 Ca 0.16 -0.06 -0.08 0.00 0.05 0.00 0.00 58.73 58.80 2kq2 h TYR 60 Cb 0.30 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 2kq2 h TYR 60 CO 0.02 0.52 -0.04 0.00 -1.05 0.00 0.00 178.16 177.61 2kq2 h ALA 61 N 1.50 1.07 -0.82 3.88 0.00 -0.79 -2.07 119.26 122.03 2kq2 h ALA 61 Ca 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2kq2 h ALA 61 Cb 0.40 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2kq2 h ALA 61 CO 0.02 0.58 0.45 0.28 0.00 0.00 0.00 179.25 180.58 2kq2 h VAL 62 N 0.72 1.24 -0.74 0.00 2.07 -0.46 0.29 116.25 119.37 2kq2 h VAL 62 Ca 0.13 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 2kq2 h VAL 62 Cb 0.50 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2kq2 h VAL 62 CO 0.03 0.27 0.24 0.50 0.02 0.00 0.00 177.57 178.63 2kq2 h LYS 63 N 1.15 1.15 -0.05 1.57 3.64 -0.92 -2.50 116.57 120.61 2kq2 h LYS 63 Ca 0.29 -0.25 -0.17 0.00 -1.27 0.00 0.00 60.65 59.25 2kq2 h LYS 63 Cb 0.03 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2kq2 h LYS 63 CO -0.05 0.98 -0.73 -0.22 -2.27 0.00 0.00 179.45 177.16 2kq2 h LYS 64 N 1.10 0.29 -0.34 1.90 3.64 -0.93 -3.22 116.57 119.00 2kq2 h LYS 64 Ca 0.24 -0.24 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2kq2 h LYS 64 Cb 0.30 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2kq2 h LYS 64 CO -0.01 0.90 0.29 0.00 -2.27 0.00 0.00 179.45 178.36 2kq2 h ALA 65 N 1.03 2.15 -0.80 5.00 0.00 0.02 0.41 119.26 127.07 2kq2 h ALA 65 Ca -0.03 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2kq2 h ALA 65 Cb 1.30 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 2kq2 h ALA 65 CO 0.12 -0.47 0.52 1.03 0.00 0.00 0.00 179.25 180.45 2kq2 h SER 66 N 0.00 0.66 0.50 0.00 0.87 -1.55 0.53 113.55 114.56 2kq2 h SER 66 Ca 0.16 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 2kq2 h SER 66 Cb 0.75 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 2kq2 h SER 66 CO -0.00 0.39 -0.56 1.56 -0.53 0.00 0.00 176.83 177.70 2kq2 h GLN 67 N 0.74 0.06 0.00 2.24 4.20 -1.13 -2.95 115.11 118.27 2kq2 h GLN 67 Ca 0.37 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.04 2kq2 h GLN 67 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2kq2 h GLN 67 CO -0.14 0.60 -0.84 -0.07 -0.67 0.00 0.00 178.83 177.71 2kq2 h LEU 68 N 0.05 0.00 -1.63 1.46 4.07 -1.33 -3.48 115.31 114.45 2kq2 h LEU 68 Ca -0.00 -0.13 -0.12 0.00 0.08 0.00 0.00 57.88 57.70 2kq2 h LEU 68 Cb 1.00 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.79 2kq2 h LEU 68 CO 0.08 0.07 -0.25 0.61 -1.08 0.00 0.00 178.44 177.86 2kq2 n GLY 69 N 1.27 0.25 3.40 0.83 0.00 0.07 -5.06 105.19 105.95 2kq2 n GLY 69 Ca 0.02 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.12 1.10 0.34 1.61 -7.23 -1.07 -5.04 120.40 106.99 2kq2 s VAL 70 Ca 0.05 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 2kq2 s VAL 70 Cb -0.02 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 2kq2 s VAL 70 CO 0.24 -0.09 0.11 -1.59 -0.31 0.00 0.00 175.10 173.46 2kq2 s LYS 71 N -3.89 1.70 0.10 4.82 -2.85 -1.26 -4.60 119.74 113.75 2kq2 s LYS 71 Ca 0.34 -1.98 0.05 0.00 -1.00 0.00 0.00 55.97 53.38 2kq2 s LYS 71 Cb 0.08 -0.55 -0.03 0.00 -2.06 0.00 0.00 37.83 35.26 2kq2 s LYS 71 CO 0.14 -0.35 -0.12 0.96 0.10 0.00 0.00 175.35 176.07 2kq2 s ILE 72 N -3.39 1.09 -0.54 3.79 -4.36 -0.06 -2.38 121.20 115.35 2kq2 s ILE 72 Ca 0.32 -1.57 -0.18 0.00 -0.26 0.00 0.00 60.65 58.97 2kq2 s ILE 72 Cb 0.06 -1.32 0.09 0.00 1.25 0.00 0.00 42.46 42.54 2kq2 s ILE 72 CO 0.15 -0.43 0.58 -0.13 0.24 0.00 0.00 174.94 175.35 2kq2 s ARG 73 N -2.48 3.03 0.03 0.37 0.52 -1.23 -3.25 118.95 115.95 2kq2 s ARG 73 Ca 0.04 -1.33 -0.13 0.00 -0.52 0.00 0.00 55.73 53.79 2kq2 s ARG 73 Cb -0.05 -4.21 -0.06 0.00 0.52 0.00 0.00 34.95 31.15 2kq2 s ARG 73 CO 0.01 -1.32 0.41 0.42 0.02 0.00 0.00 175.30 174.84 2kq2 s ILE 74 N 2.21 5.05 1.33 1.52 1.01 0.12 -4.05 121.20 128.38 2kq2 s ILE 74 Ca 0.09 0.70 -0.22 0.00 0.00 0.00 0.00 60.65 61.22 2kq2 s ILE 74 Cb -0.25 -3.69 0.34 0.00 0.01 0.00 0.00 42.46 38.88 2kq2 s ILE 74 CO 0.07 0.46 0.82 0.00 0.00 0.00 0.00 174.94 176.29 2kq2 n LEU 75 N 1.45 0.00 0.00 2.97 -0.00 -1.26 0.27 117.00 120.43 2kq2 n LEU 75 Ca -0.11 -0.83 -0.11 0.00 -0.00 0.00 0.00 56.01 54.96 2kq2 n LEU 75 Cb 0.52 -0.91 0.07 0.00 -0.00 0.00 0.00 43.42 43.10 2kq2 n LEU 75 CO 0.39 -2.67 0.29 1.41 -0.00 0.00 0.00 177.39 176.82 2kq2 n HIS 76 N -5.51 -3.53 -4.88 1.47 8.25 -1.26 -4.36 115.22 105.41 2kq2 n HIS 76 Ca 0.13 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 2kq2 n HIS 76 Cb 0.55 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2kq2 n HIS 76 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2kq2 n ASP 77 N -3.13 -2.00 0.00 0.41 2.03 -1.26 -4.88 116.55 107.72 2kq2 n ASP 77 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 2kq2 n ASP 77 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 2kq2 n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kq2 n TYR 78 N 0.00 0.00 0.51 -0.67 9.36 -1.26 -4.81 117.16 120.29 2kq2 n TYR 78 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 2kq2 n TYR 78 Cb 0.00 -1.25 0.46 0.00 -0.63 0.00 0.00 39.34 37.91 2kq2 n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2kq2 n ALA 79 N 1.00 1.87 -0.22 2.98 0.00 -1.26 -3.47 120.51 121.40 2kq2 n ALA 79 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.48 2kq2 n ALA 79 Cb 0.22 -1.40 0.13 0.00 0.00 0.00 0.00 19.45 18.40 2kq2 n ALA 79 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kq2 h GLY 80 N 3.06 0.95 2.00 0.00 0.00 -2.02 0.14 103.07 107.19 2kq2 h GLY 80 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2kq2 h GLY 80 CO 0.00 -0.01 0.00 0.16 0.00 0.00 0.00 176.54 176.69 2kq2 h ILE 81 N 0.46 0.00 -0.06 2.60 -0.00 -1.98 -3.14 117.51 115.38 2kq2 h ILE 81 Ca 0.33 -0.74 0.00 0.00 -0.00 0.00 0.00 64.86 64.45 2kq2 h ILE 81 Cb 0.41 1.73 0.00 0.00 -0.00 0.00 0.00 36.82 38.96 2kq2 h ILE 81 CO -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 178.15 177.84 2kq2 n ALA 82 N -2.06 2.58 0.44 0.16 0.00 0.01 -3.90 120.51 117.73 2kq2 n ALA 82 Ca 0.03 -0.40 0.10 0.00 0.00 0.00 0.00 53.44 53.17 2kq2 n ALA 82 Cb 0.42 -1.21 0.44 0.00 0.00 0.00 0.00 19.45 19.10 2kq2 n ALA 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2kq2 n PHE 83 N -0.06 0.56 -0.01 0.00 3.72 -1.02 -1.96 117.46 118.70 2kq2 n PHE 83 Ca 0.18 0.22 -0.17 0.00 -0.05 0.00 0.00 57.45 57.63 2kq2 n PHE 83 Cb 0.28 -0.85 -0.06 0.00 -0.94 0.00 0.00 39.48 37.90 2kq2 n PHE 83 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 2kq2 h TRP 84 N 0.00 1.01 0.00 1.38 6.55 -1.85 0.14 115.95 123.18 2kq2 h TRP 84 Ca 0.00 -0.46 0.00 0.00 0.95 0.00 0.00 58.89 59.38 2kq2 h TRP 84 Cb 0.34 -0.15 0.00 0.00 -0.86 0.00 0.00 29.16 28.49 2kq2 h TRP 84 CO 0.00 1.28 -0.71 0.00 -1.05 0.00 0.00 178.44 177.96 2kq2 h ALA 85 N 0.59 0.61 0.00 1.49 0.00 -1.61 -3.21 119.26 117.13 2kq2 h ALA 85 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 2kq2 h ALA 85 Cb 1.42 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 2kq2 h ALA 85 CO 0.16 0.00 -2.13 0.25 0.00 0.00 0.00 179.25 177.53 2kq2 n THR 86 N -2.54 1.13 0.00 0.00 -2.24 -0.83 -4.26 114.28 105.54 2kq2 n THR 86 Ca 0.02 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2kq2 n THR 86 Cb 0.51 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 2kq2 n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kq2 n GLY 87 N 2.51 0.90 0.28 3.38 0.00 0.41 -4.96 105.19 107.70 2kq2 n GLY 87 Ca -0.34 -0.73 0.16 0.00 0.00 0.00 0.00 46.02 45.10 2kq2 n GLY 87 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2kq2 h GLU 88 N 0.00 0.00 -3.90 1.61 4.11 -1.73 -3.42 114.58 111.25 2kq2 h GLU 88 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 2kq2 h GLU 88 Cb 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 2kq2 h GLU 88 CO 0.00 0.06 -0.67 -0.46 0.07 0.00 0.00 179.01 178.01 2kq2 s TRP 89 N -3.83 0.22 -0.21 2.06 -0.00 -1.26 -5.10 118.94 110.81 2kq2 s TRP 89 Ca -0.01 -0.46 -0.28 0.00 -0.00 0.00 0.00 56.10 55.35 2kq2 s TRP 89 Cb 0.11 -0.16 -0.05 0.00 -0.00 0.00 0.00 33.47 33.37 2kq2 s TRP 89 CO 0.55 -0.20 2.07 -1.59 -0.00 0.00 0.00 176.95 177.78 2kq2 s LYS 90 N -1.40 3.33 -0.38 5.86 -2.85 -1.26 -4.91 119.74 118.13 2kq2 s LYS 90 Ca -0.15 1.95 -0.29 0.00 -1.00 0.00 0.00 55.97 56.48 2kq2 s LYS 90 Cb -0.09 -4.29 0.01 0.00 -2.06 0.00 0.00 37.83 31.40 2kq2 s LYS 90 CO -0.01 -1.87 1.28 0.00 0.10 0.00 0.00 175.35 174.85 2kq2 s ALA 91 N 7.38 3.22 -0.18 0.59 0.00 -1.26 -4.86 121.76 126.64 2kq2 s ALA 91 Ca 0.93 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.83 2kq2 s ALA 91 Cb -0.31 -3.85 -0.22 0.00 0.00 0.00 0.00 23.12 18.73 2kq2 s ALA 91 CO 0.35 -2.07 0.11 0.36 0.00 0.00 0.00 175.76 174.51 2kq2 n LYS 92 N 7.66 0.68 -0.37 0.00 2.85 -1.26 -4.79 118.16 122.93 2kq2 n LYS 92 Ca 0.14 0.13 -0.00 0.00 -1.05 0.00 0.00 58.31 57.54 2kq2 n LYS 92 Cb 0.48 -1.59 -0.00 0.00 -0.65 0.00 0.00 35.03 33.26 2kq2 n LYS 92 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2kq2 n ASN 93 N -3.07 -0.01 -3.31 -5.58 6.94 -1.26 -5.10 115.26 103.86 2kq2 n ASN 93 Ca -0.35 -0.73 -0.19 0.00 -0.02 0.00 0.00 54.58 53.30 2kq2 n ASN 93 Cb 1.07 0.00 0.13 0.00 -2.36 0.00 0.00 39.78 38.62 2kq2 n ASN 93 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2kq2 n GLU 94 N 0.00 -0.69 0.17 -3.83 4.71 -1.26 -4.97 120.64 114.78 2kq2 n GLU 94 Ca -0.00 -1.42 0.02 0.00 -0.01 0.00 0.00 57.16 55.75 2kq2 n GLU 94 Cb 0.36 -0.82 0.31 0.00 -1.01 0.00 0.00 31.44 30.28 2kq2 n GLU 94 CO 0.00 0.00 0.00 0.74 0.09 0.00 0.00 177.13 177.96 2kq2 h PHE 95 N -1.34 0.00 -1.03 -0.32 -1.00 -2.01 -3.13 116.94 108.11 2kq2 h PHE 95 Ca -0.27 0.00 0.26 0.00 2.81 0.00 0.00 57.97 60.77 2kq2 h PHE 95 Cb 0.78 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.26 2kq2 h PHE 95 CO 0.00 0.44 0.67 1.15 -1.61 0.00 0.00 178.31 178.97 2kq2 h THR 96 N 0.00 0.54 -0.34 -1.55 2.02 -1.93 0.23 112.91 111.89 2kq2 h THR 96 Ca -0.00 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 2kq2 h THR 96 Cb 0.83 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2kq2 h THR 96 CO 0.06 0.06 0.08 1.56 0.37 0.00 0.00 175.52 177.65 2kq2 h GLN 97 N 0.34 0.49 0.00 6.66 4.20 -1.87 0.12 115.11 125.05 2kq2 h GLN 97 Ca 0.56 -0.08 -0.19 0.00 0.06 0.00 0.00 58.65 59.01 2kq2 h GLN 97 Cb 1.53 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.21 2kq2 h GLN 97 CO -0.23 0.46 -0.85 0.00 -0.67 0.00 0.00 178.83 177.54 2kq2 h ALA 98 N 1.60 0.58 0.00 3.87 0.00 -0.75 -1.27 119.26 123.29 2kq2 h ALA 98 Ca 0.11 -0.73 -0.18 0.00 0.00 0.00 0.00 54.91 54.12 2kq2 h ALA 98 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2kq2 h ALA 98 CO -0.00 0.95 -0.82 1.88 0.00 0.00 0.00 179.25 181.25 2kq2 h TYR 99 N 0.07 0.06 0.00 0.00 0.05 -0.87 -2.76 116.97 113.52 2kq2 h TYR 99 Ca -0.03 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.72 2kq2 h TYR 99 Cb 1.47 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.21 2kq2 h TYR 99 CO 0.02 0.84 -0.23 0.00 -1.05 0.00 0.00 178.16 177.75 2kq2 h ALA 100 N 1.14 0.85 -2.09 3.88 0.00 -0.78 -3.38 119.26 118.89 2kq2 h ALA 100 Ca -0.02 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.33 2kq2 h ALA 100 Cb 1.45 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 2kq2 h ALA 100 CO 0.11 0.00 0.92 0.21 0.00 0.00 0.00 179.25 180.49 2kq2 s LYS 101 N -3.13 4.14 -1.78 0.00 2.20 -0.48 -3.29 119.74 117.39 2kq2 s LYS 101 Ca 0.09 1.52 0.00 0.00 -0.36 0.00 0.00 55.97 57.22 2kq2 s LYS 101 Cb 0.12 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 2kq2 s LYS 101 CO 0.64 -0.83 0.00 1.28 -0.36 0.00 0.00 175.35 176.08 2kq2 n LEU 102 N 6.91 -1.41 0.22 5.43 7.99 -1.26 -4.84 117.00 130.03 2kq2 n LEU 102 Ca 0.14 0.32 0.07 0.00 -0.01 0.00 0.00 56.01 56.54 2kq2 n LEU 102 Cb 0.45 -2.51 0.50 0.00 -0.11 0.00 0.00 43.42 41.75 2kq2 n LEU 102 CO 0.58 -0.74 0.83 0.00 -1.51 0.00 0.00 177.39 176.54 2kq2 h MET 103 N 0.00 0.00 0.00 3.23 -0.00 -1.77 -2.47 114.93 113.92 2kq2 h MET 103 Ca -0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.32 2kq2 h MET 103 Cb 1.19 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.79 2kq2 h MET 103 CO 0.52 0.26 -0.02 -0.97 -0.00 0.00 0.00 176.91 176.70 2kq2 h ASN 104 N 0.00 0.00 -0.63 -0.10 -1.24 -1.88 -1.96 115.58 109.77 2kq2 h ASN 104 Ca -0.00 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.07 2kq2 h ASN 104 Cb 0.55 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.54 2kq2 h ASN 104 CO 0.03 0.02 0.32 -0.61 -1.29 0.00 0.00 177.43 175.90 2kq2 h GLN 105 N 0.00 0.57 0.00 6.67 -0.00 -1.83 -2.40 115.11 118.11 2kq2 h GLN 105 Ca -0.00 -0.03 -0.15 0.00 -0.00 0.00 0.00 58.65 58.47 2kq2 h GLN 105 Cb 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.43 2kq2 h GLN 105 CO 0.00 0.38 -1.15 -0.92 0.00 0.00 0.00 178.83 177.13 2kq2 h TYR 106 N 0.58 0.00 -3.99 3.99 3.20 -1.57 -3.47 116.97 115.72 2kq2 h TYR 106 Ca 0.29 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.63 2kq2 h TYR 106 Cb 0.24 0.00 0.10 0.00 1.54 0.00 0.00 36.73 38.61 2kq2 h TYR 106 CO -0.10 0.56 0.62 0.50 -1.64 0.00 0.00 178.16 178.09 2kq2 s ARG 107 N -2.94 3.67 0.00 1.82 3.52 -0.82 -3.48 118.95 120.72 2kq2 s ARG 107 Ca -0.01 2.19 0.00 0.00 -0.13 0.00 0.00 55.73 57.78 2kq2 s ARG 107 Cb 0.08 -2.56 0.00 0.00 -1.56 0.00 0.00 34.95 30.91 2kq2 s ARG 107 CO 0.79 -0.75 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 2kq2 n GLY 108 N 0.63 2.81 0.22 8.12 0.00 -1.26 -4.87 105.19 110.84 2kq2 n GLY 108 Ca 0.06 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.10 -0.61 2.04 -1.81 -3.43 117.51 111.89 2kq2 h ILE 109 Ca 0.00 -1.96 -0.65 0.00 1.00 0.00 0.00 64.86 63.24 2kq2 h ILE 109 Cb 0.00 1.95 -0.10 0.00 -0.74 0.00 0.00 36.82 37.94 2kq2 h ILE 109 CO 0.00 0.62 -0.57 -0.72 0.00 0.00 0.00 178.15 177.48 2kq2 s TYR 110 N -3.78 3.29 -0.22 1.37 1.13 -1.26 -0.88 117.35 117.00 2kq2 s TYR 110 Ca -0.10 0.21 -0.25 0.00 -1.41 0.00 0.00 57.07 55.52 2kq2 s TYR 110 Cb 0.09 -1.74 0.07 0.00 -1.10 0.00 0.00 41.96 39.28 2kq2 s TYR 110 CO 0.90 0.55 0.68 -1.54 -2.51 0.00 0.00 175.55 173.63 2kq2 s SER 111 N -1.75 -0.70 -0.14 -0.18 1.04 -1.20 -4.92 113.70 105.85 2kq2 s SER 111 Ca 0.23 1.26 -0.07 0.00 0.48 0.00 0.00 55.95 57.86 2kq2 s SER 111 Cb -0.12 1.25 -0.04 0.00 0.10 0.00 0.00 66.02 67.21 2kq2 s SER 111 CO 0.14 -0.30 0.10 -0.36 0.98 0.00 0.00 173.24 173.80 2kq2 s PHE 112 N 0.09 3.43 -0.00 5.02 0.08 -1.26 0.13 117.98 125.47 2kq2 s PHE 112 Ca -0.02 0.35 0.01 0.00 0.12 0.00 0.00 56.93 57.39 2kq2 s PHE 112 Cb -0.04 -1.98 -0.00 0.00 -0.57 0.00 0.00 43.02 40.43 2kq2 s PHE 112 CO 0.02 0.51 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.63 2kq2 s GLU 113 N -0.51 0.21 -0.09 0.44 2.12 0.14 -4.90 118.70 116.12 2kq2 s GLU 113 Ca 0.11 -0.12 -0.25 0.00 0.36 0.00 0.00 54.97 55.07 2kq2 s GLU 113 Cb -0.12 -0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.05 2kq2 s GLU 113 CO 0.02 0.05 0.79 -1.59 -0.54 0.00 0.00 175.26 173.99 2kq2 s LYS 114 N -0.13 4.41 -0.18 4.30 -2.85 -1.26 -4.06 119.74 119.97 2kq2 s LYS 114 Ca 0.00 1.01 -0.01 0.00 -1.00 0.00 0.00 55.97 55.97 2kq2 s LYS 114 Cb -0.01 -3.49 0.05 0.00 -2.06 0.00 0.00 37.83 32.32 2kq2 s LYS 114 CO -0.00 -0.08 -0.01 0.54 0.10 0.00 0.00 175.35 175.91 2kq2 s VAL 115 N 1.25 0.84 -0.33 1.79 0.11 -1.26 -5.06 120.40 117.74 2kq2 s VAL 115 Ca 0.40 -0.63 0.04 0.00 -2.93 0.00 0.00 61.98 58.86 2kq2 s VAL 115 Cb -0.18 -1.19 0.17 0.00 -1.53 0.00 0.00 36.38 33.65 2kq2 s VAL 115 CO 0.18 -0.06 0.45 -0.75 -3.33 0.00 0.00 175.10 171.60 2kq2 s LYS 116 N 1.73 0.56 0.11 1.54 2.36 -1.26 -5.10 119.74 119.68 2kq2 s LYS 116 Ca -0.01 -0.17 -0.19 0.00 -2.55 0.00 0.00 55.97 53.05 2kq2 s LYS 116 Cb -0.16 -0.30 0.05 0.00 -1.05 0.00 0.00 37.83 36.36 2kq2 s LYS 116 CO -0.07 -1.11 0.46 0.00 1.55 0.00 0.00 175.35 176.18 2kq2 s ALA 117 N 2.14 -1.15 -0.36 3.13 0.00 -1.26 -5.02 121.76 119.25 2kq2 s ALA 117 Ca 0.13 0.20 0.23 0.00 0.00 0.00 0.00 51.96 52.51 2kq2 s ALA 117 Cb -0.11 0.66 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 2kq2 s ALA 117 CO -0.19 -0.64 0.98 -2.39 0.00 0.00 0.00 175.76 173.53 2kq2 n HIS 118 N -0.11 0.56 -0.01 0.00 1.44 -1.26 -4.26 115.22 111.59 2kq2 n HIS 118 Ca -0.17 0.16 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 2kq2 n HIS 118 Cb 0.63 -0.70 0.02 0.00 0.12 0.00 0.00 29.99 30.06 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 -2.33 4.51 -4.76 4.39 7.64 -1.26 -4.92 113.62 116.88 2kq2 n SER 119 Ca 0.00 -2.41 -0.38 0.00 1.01 0.00 0.00 58.87 57.09 2kq2 n SER 119 Cb 0.51 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2kq2 n SER 119 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2kq2 s GLY 120 N 1.17 2.86 1.23 0.23 0.00 -1.26 -5.01 107.32 106.55 2kq2 s GLY 120 Ca 0.08 1.14 -0.19 0.00 0.00 0.00 0.00 44.72 45.74 2kq2 s GLY 120 CO 0.01 1.66 1.07 -1.31 0.00 0.00 0.00 173.10 174.52 2kq2 s ASN 121 N -1.02 0.61 0.23 1.64 -0.87 -1.26 -4.72 114.94 109.55 2kq2 s ASN 121 Ca 0.62 0.76 -0.09 0.00 -1.57 0.00 0.00 52.86 52.58 2kq2 s ASN 121 Cb -0.35 -1.08 0.36 0.00 -0.02 0.00 0.00 41.25 40.16 2kq2 s ASN 121 CO 0.43 -4.33 1.67 -0.33 -2.57 0.00 0.00 177.10 171.97 2kq2 h GLU 122 N -2.72 0.16 0.00 -0.60 5.08 -2.00 -0.27 114.58 114.23 2kq2 h GLU 122 Ca -0.46 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 2kq2 h GLU 122 Cb 1.31 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2kq2 h GLU 122 CO 0.35 0.10 -0.16 0.74 -1.00 0.00 0.00 179.01 179.05 2kq2 h PHE 123 N 0.16 0.00 -0.21 4.33 0.04 -1.98 0.19 116.94 119.47 2kq2 h PHE 123 Ca 0.36 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 61.01 2kq2 h PHE 123 Cb 0.59 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.74 2kq2 h PHE 123 CO -0.34 0.16 -0.34 -0.97 -0.60 0.00 0.00 178.31 176.22 2kq2 h ASN 124 N 0.00 0.66 0.72 2.17 -0.00 -1.36 -1.70 115.58 116.07 2kq2 h ASN 124 Ca -0.00 -0.53 -0.13 0.00 -0.00 0.00 0.00 56.30 55.64 2kq2 h ASN 124 Cb 0.36 -0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 38.47 2kq2 h ASN 124 CO 0.02 1.06 -0.62 -0.78 -0.00 0.00 0.00 177.43 177.11 2kq2 h ASP 125 N 0.28 0.00 -0.10 1.15 3.58 -1.14 -0.65 116.42 119.54 2kq2 h ASP 125 Ca 0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 2kq2 h ASP 125 Cb 0.93 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.98 2kq2 h ASP 125 CO 0.08 0.62 0.05 0.22 -2.88 0.00 0.00 179.24 177.33 2kq2 h TYR 126 N 0.00 0.15 0.00 0.28 3.20 -0.54 0.48 116.97 120.55 2kq2 h TYR 126 Ca -0.01 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 2kq2 h TYR 126 Cb 1.15 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 2kq2 h TYR 126 CO 0.00 0.22 -0.56 -0.24 -1.64 0.00 0.00 178.16 175.94 2kq2 h VAL 127 N 0.04 1.16 -0.35 1.81 3.04 -1.26 -2.91 116.25 117.77 2kq2 h VAL 127 Ca 0.04 -2.09 -0.00 0.00 -1.01 0.00 0.00 66.70 63.63 2kq2 h VAL 127 Cb 0.13 2.21 -0.02 0.00 -2.01 0.00 0.00 31.29 31.60 2kq2 h VAL 127 CO -0.00 0.55 0.22 -0.78 -1.01 0.00 0.00 177.57 176.54 2kq2 h ASP 128 N 0.00 0.42 -0.75 3.17 1.82 -0.84 -0.66 116.42 119.58 2kq2 h ASP 128 Ca -0.01 -0.04 0.01 0.00 -0.39 0.00 0.00 57.03 56.60 2kq2 h ASP 128 Cb 1.16 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 41.03 2kq2 h ASP 128 CO 0.07 0.34 0.49 -0.03 -1.61 0.00 0.00 179.24 178.51 2kq2 h MET 129 N 0.46 0.96 -0.23 0.28 4.05 -0.78 0.18 114.93 119.86 2kq2 h MET 129 Ca 0.13 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 2kq2 h MET 129 Cb -0.01 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.57 2kq2 h MET 129 CO -0.02 0.64 0.12 0.87 0.23 0.00 0.00 176.91 178.75 2kq2 h LYS 130 N 0.99 0.33 -0.42 0.39 6.56 -1.25 -1.79 116.57 121.38 2kq2 h LYS 130 Ca 0.28 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.80 2kq2 h LYS 130 Cb -0.08 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.49 2kq2 h LYS 130 CO -0.06 0.31 0.15 0.00 -2.06 0.00 0.00 179.45 177.78 2kq2 h ALA 131 N 1.00 0.54 -0.98 3.86 0.00 -0.23 -2.75 119.26 120.72 2kq2 h ALA 131 Ca 0.08 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2kq2 h ALA 131 Cb 0.08 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2kq2 h ALA 131 CO -0.01 0.16 0.64 0.87 0.00 0.00 0.00 179.25 180.91 2kq2 h LYS 132 N 0.53 1.23 -0.07 0.00 1.57 -0.62 -1.79 116.57 117.41 2kq2 h LYS 132 Ca 0.14 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2kq2 h LYS 132 Cb 0.22 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2kq2 h LYS 132 CO -0.01 0.81 -0.00 0.77 -0.57 0.00 0.00 179.45 180.45 2kq2 h SER 133 N 1.26 0.09 1.57 0.86 0.02 -1.03 0.29 113.55 116.61 2kq2 h SER 133 Ca 0.38 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2kq2 h SER 133 Cb -0.05 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2kq2 h SER 133 CO -0.11 0.12 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 2kq2 h ALA 134 N 1.90 1.00 0.00 3.77 0.00 -1.16 -3.15 119.26 121.61 2kq2 h ALA 134 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kq2 h ALA 134 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kq2 h ALA 134 CO 0.00 0.00 -1.24 1.28 0.00 0.00 0.00 179.25 179.29 2kq2 n LEU 135 N -2.74 0.55 0.00 0.00 4.77 -0.01 -4.95 117.00 114.63 2kq2 n LEU 135 Ca 0.04 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2kq2 n LEU 135 Cb 0.44 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2kq2 n LEU 135 CO 0.30 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2kq2 n GLY 136 N 1.29 0.69 3.71 -0.72 0.00 -0.62 -5.04 105.19 104.49 2kq2 n GLY 136 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.30 4.91 -0.93 -0.61 1.01 -0.88 -3.53 121.20 118.86 2kq2 s ILE 137 Ca 0.00 1.84 -0.02 0.00 0.00 0.00 0.00 60.65 62.47 2kq2 s ILE 137 Cb 0.00 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 2kq2 s ILE 137 CO 0.00 0.15 0.79 -1.14 0.00 0.00 0.00 174.94 174.74 2kq2 n ARG 138 N 4.14 -4.11 -3.72 2.79 0.63 -1.26 -3.64 116.66 111.48 2kq2 n ARG 138 Ca 0.04 0.69 -0.37 0.00 -0.92 0.00 0.00 57.85 57.30 2kq2 n ARG 138 Cb 0.51 -5.15 -0.06 0.00 0.45 0.00 0.00 32.46 28.21 2kq2 n ARG 138 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2kq2 s ASP 139 N -3.82 6.56 0.44 6.15 2.15 -1.23 -4.66 116.67 122.25 2kq2 s ASP 139 Ca 0.13 0.66 0.10 0.00 0.43 0.00 0.00 52.55 53.87 2kq2 s ASP 139 Cb -0.02 -2.14 0.97 0.00 -0.30 0.00 0.00 42.92 41.44 2kq2 s ASP 139 CO 0.59 0.35 2.08 0.25 -0.17 0.00 0.00 175.17 178.28 2kq2 h LEU 140 N 4.70 0.34 -3.15 -1.34 6.46 -1.95 -1.47 115.31 118.90 2kq2 h LEU 140 Ca -0.53 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.22 2kq2 h LEU 140 Cb 1.22 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 2kq2 h LEU 140 CO 0.61 0.25 0.00 -0.62 -0.62 0.00 0.00 178.44 178.05 2kq2 n GLU 141 N -4.49 3.64 -3.15 1.25 1.02 -1.26 -4.88 120.64 112.77 2kq2 n GLU 141 Ca 0.01 -2.83 -0.41 0.00 -0.02 0.00 0.00 57.16 53.92 2kq2 n GLU 141 Cb 0.07 -1.85 -0.07 0.00 -0.02 0.00 0.00 31.44 29.57 2kq2 n GLU 141 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kq2 s HIS 142 N -1.90 3.25 0.69 -0.32 2.46 -0.56 -5.05 115.29 113.87 2kq2 s HIS 142 Ca 0.48 0.67 -0.12 0.00 0.47 0.00 0.00 55.06 56.57 2kq2 s HIS 142 Cb 0.32 -2.85 0.01 0.00 -0.13 0.00 0.00 32.58 29.93 2kq2 s HIS 142 CO 0.22 -0.36 1.07 -1.01 -2.47 0.00 0.00 174.74 172.19 2kq2 s HIS 143 N 2.47 2.93 -0.26 3.88 3.76 -1.26 -4.85 115.29 121.97 2kq2 s HIS 143 Ca 0.24 1.48 -0.11 0.00 -0.15 0.00 0.00 55.06 56.52 2kq2 s HIS 143 Cb -0.15 -2.96 -0.05 0.00 1.11 0.00 0.00 32.58 30.52 2kq2 s HIS 143 CO 0.10 -1.37 0.17 -1.01 -0.85 0.00 0.00 174.74 171.78 2kq2 s HIS 144 N -2.84 3.28 0.13 1.40 3.76 -1.26 -4.98 115.29 114.77 2kq2 s HIS 144 Ca 0.60 0.18 -0.10 0.00 -0.15 0.00 0.00 55.06 55.59 2kq2 s HIS 144 Cb -0.16 -2.31 -0.06 0.00 1.11 0.00 0.00 32.58 31.16 2kq2 s HIS 144 CO 0.51 -0.03 1.40 1.25 -0.85 0.00 0.00 174.74 177.02 2kq2 h HIS 145 N 7.85 1.01 -3.58 1.40 2.76 -2.07 -3.40 115.15 119.11 2kq2 h HIS 145 Ca -0.37 -0.38 -0.63 0.00 -2.20 0.00 0.00 60.37 56.79 2kq2 h HIS 145 Cb 1.18 -0.18 -0.14 0.00 1.55 0.00 0.00 27.41 29.82 2kq2 h HIS 145 CO 0.70 1.20 0.02 -1.58 -1.30 0.00 0.00 177.93 176.97 2kq2 s HIS 146 N -3.99 3.21 -2.00 5.26 5.65 -1.26 -5.37 115.29 116.79 2kq2 s HIS 146 Ca -0.10 0.44 0.18 0.00 0.25 0.00 0.00 55.06 55.84 2kq2 s HIS 146 Cb 0.10 -2.88 1.10 0.00 -1.18 0.00 0.00 32.58 29.72 2kq2 s HIS 146 CO 0.88 -0.44 1.50 1.58 -0.65 0.00 0.00 174.74 177.61