#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kq2 s ASP 2 N 0.00 7.13 -0.11 7.83 2.15 -1.26 -4.76 116.67 127.65 2kq2 s ASP 2 Ca 0.00 -3.22 0.15 0.00 0.43 0.00 0.00 52.55 49.91 2kq2 s ASP 2 Cb 0.00 -2.26 0.24 0.00 -0.30 0.00 0.00 42.92 40.60 2kq2 s ASP 2 CO 0.00 -0.48 1.12 -0.90 -0.17 0.00 0.00 175.17 174.75 2kq2 n ASP 3 N 3.76 1.82 -2.17 -0.34 5.68 -1.26 -4.82 116.55 119.21 2kq2 n ASP 3 Ca 0.25 -2.90 -0.17 0.00 -0.50 0.00 0.00 54.79 51.47 2kq2 n ASP 3 Cb 0.42 -0.39 -0.14 0.00 -1.14 0.00 0.00 41.12 39.88 2kq2 n ASP 3 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2kq2 n ARG 4 N -1.10 2.17 -3.51 0.11 1.74 -1.26 -4.70 116.66 110.12 2kq2 n ARG 4 Ca 0.13 -1.38 -0.29 0.00 -0.77 0.00 0.00 57.85 55.53 2kq2 n ARG 4 Cb 0.66 -2.06 -0.14 0.00 -1.02 0.00 0.00 32.46 29.90 2kq2 n ARG 4 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2kq2 s THR 5 N 0.23 0.05 -0.05 0.55 -1.32 -1.26 -5.03 115.64 108.81 2kq2 s THR 5 Ca 0.65 -1.22 -0.00 0.00 -1.21 0.00 0.00 61.69 59.91 2kq2 s THR 5 Cb 0.33 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 2kq2 s THR 5 CO -0.06 -0.85 0.00 -0.62 -2.21 0.00 0.00 174.62 170.89 2kq2 n GLU 6 N 4.67 -0.90 -1.87 7.08 1.02 -1.26 -4.90 120.64 124.49 2kq2 n GLU 6 Ca 0.03 1.15 -0.33 0.00 -0.02 0.00 0.00 57.16 57.99 2kq2 n GLU 6 Cb 0.40 -1.68 0.03 0.00 -0.02 0.00 0.00 31.44 30.16 2kq2 n GLU 6 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2kq2 s TYR 7 N -1.01 2.86 -0.19 -0.32 1.51 -1.25 -4.76 117.35 114.19 2kq2 s TYR 7 Ca -0.00 1.52 -0.04 0.00 -1.01 0.00 0.00 57.07 57.53 2kq2 s TYR 7 Cb 0.00 -3.05 -0.02 0.00 -0.11 0.00 0.00 41.96 38.78 2kq2 s TYR 7 CO 0.13 -1.34 -0.02 -0.51 -1.11 0.00 0.00 175.55 172.69 2kq2 s ASP 8 N -2.85 4.66 -0.10 2.29 1.01 -1.22 -2.52 116.67 117.94 2kq2 s ASP 8 Ca 0.64 -0.24 0.00 0.00 0.71 0.00 0.00 52.55 53.67 2kq2 s ASP 8 Cb -0.17 -1.79 0.02 0.00 1.01 0.00 0.00 42.92 41.99 2kq2 s ASP 8 CO 0.41 0.07 -0.09 -0.69 0.21 0.00 0.00 175.17 175.08 2kq2 s VAL 9 N 0.94 1.06 -0.13 -1.27 1.01 -1.26 -2.07 120.40 118.69 2kq2 s VAL 9 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 2kq2 s VAL 9 Cb -0.14 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 2kq2 s VAL 9 CO 0.01 0.36 0.10 -0.31 0.00 0.00 0.00 175.10 175.27 2kq2 s TYR 10 N 1.41 3.44 -0.18 5.22 2.02 -0.32 -4.67 117.35 124.27 2kq2 s TYR 10 Ca -0.01 0.38 -0.29 0.00 -0.37 0.00 0.00 57.07 56.79 2kq2 s TYR 10 Cb -0.13 -1.94 0.12 0.00 -0.40 0.00 0.00 41.96 39.61 2kq2 s TYR 10 CO -0.05 0.57 0.99 -0.08 -1.57 0.00 0.00 175.55 175.41 2kq2 s THR 11 N -0.70 0.00 0.02 -0.71 -1.32 -1.26 -0.30 115.64 111.36 2kq2 s THR 11 Ca 0.13 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.64 2kq2 s THR 11 Cb -0.12 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.86 2kq2 s THR 11 CO 0.03 0.00 -0.10 -0.62 -2.21 0.00 0.00 174.62 171.71 2kq2 s ASP 12 N -0.89 1.18 -1.37 8.08 2.15 -1.26 -4.80 116.67 119.76 2kq2 s ASP 12 Ca -0.01 -0.34 -0.14 0.00 0.43 0.00 0.00 52.55 52.49 2kq2 s ASP 12 Cb -0.01 -0.08 0.08 0.00 -0.30 0.00 0.00 42.92 42.62 2kq2 s ASP 12 CO 0.01 0.01 1.98 0.61 -0.17 0.00 0.00 175.17 177.61 2kq2 n GLY 13 N 2.25 3.98 3.57 2.66 0.00 -1.26 -4.70 105.19 111.68 2kq2 n GLY 13 Ca -0.17 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2kq2 n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kq2 s SER 14 N 2.94 6.15 -0.03 1.61 0.01 -1.26 -4.96 113.70 118.15 2kq2 s SER 14 Ca 0.47 -0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.64 2kq2 s SER 14 Cb 0.09 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.78 2kq2 s SER 14 CO -0.02 -1.75 0.16 -0.72 0.41 0.00 0.00 173.24 171.32 2kq2 s TYR 15 N 5.90 -0.09 -0.28 2.43 -0.85 -1.26 -2.39 117.35 120.81 2kq2 s TYR 15 Ca 0.45 0.20 -0.24 0.00 -0.52 0.00 0.00 57.07 56.95 2kq2 s TYR 15 Cb -0.09 0.02 0.13 0.00 0.38 0.00 0.00 41.96 42.40 2kq2 s TYR 15 CO 0.21 -0.19 1.08 0.54 -1.52 0.00 0.00 175.55 175.67 2kq2 s VAL 16 N -0.61 0.00 -1.56 -3.49 0.11 0.65 -4.99 120.40 110.52 2kq2 s VAL 16 Ca -0.07 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 2kq2 s VAL 16 Cb -0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2kq2 s VAL 16 CO 0.01 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.58 2kq2 n ASN 17 N 2.28 -5.13 0.00 3.54 4.05 -1.26 -0.71 115.26 118.03 2kq2 n ASN 17 Ca -0.13 0.06 0.00 0.00 0.45 0.00 0.00 54.58 54.96 2kq2 n ASN 17 Cb 0.56 -4.20 0.00 0.00 1.23 0.00 0.00 39.78 37.37 2kq2 n ASN 17 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2kq2 n GLY 18 N -0.98 2.29 3.81 8.20 0.00 -1.26 -5.03 105.19 112.22 2kq2 n GLY 18 Ca -0.20 0.00 -0.38 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 -0.56 4.21 -0.10 1.61 -1.52 0.11 -5.08 119.66 118.33 2kq2 s GLN 19 Ca 0.00 0.74 -0.10 0.00 -1.95 0.00 0.00 55.36 54.06 2kq2 s GLN 19 Cb 0.00 -3.22 0.03 0.00 -0.22 0.00 0.00 33.01 29.60 2kq2 s GLN 19 CO 0.00 0.63 0.27 1.52 -0.25 0.00 0.00 175.29 177.46 2kq2 s TYR 20 N -1.13 -0.29 0.13 0.91 -0.85 -1.26 -0.25 117.35 114.59 2kq2 s TYR 20 Ca 0.30 0.71 0.06 0.00 -0.52 0.00 0.00 57.07 57.63 2kq2 s TYR 20 Cb -0.19 0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.21 2kq2 s TYR 20 CO 0.19 -0.15 -0.15 0.00 -1.52 0.00 0.00 175.55 173.92 2kq2 s ALA 21 N 0.10 1.59 -0.12 9.51 0.00 -1.01 -1.48 121.76 130.34 2kq2 s ALA 21 Ca -0.00 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.64 2kq2 s ALA 21 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 2kq2 s ALA 21 CO 0.00 0.14 -0.14 1.67 0.00 0.00 0.00 175.76 177.43 2kq2 s TRP 22 N -2.06 2.79 -0.08 0.00 1.48 -0.09 -4.45 118.94 116.52 2kq2 s TRP 22 Ca 0.10 -0.65 -0.06 0.00 -1.06 0.00 0.00 56.10 54.43 2kq2 s TRP 22 Cb -0.05 -1.82 0.03 0.00 -1.16 0.00 0.00 33.47 30.46 2kq2 s TRP 22 CO 0.04 -0.21 0.21 0.00 -4.06 0.00 0.00 176.95 172.93 2kq2 s ALA 23 N 0.30 -0.49 -0.04 2.67 0.00 -1.26 -1.61 121.76 121.33 2kq2 s ALA 23 Ca -0.11 0.70 -0.03 0.00 0.00 0.00 0.00 51.96 52.52 2kq2 s ALA 23 Cb -0.16 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2kq2 s ALA 23 CO 0.06 -0.13 0.10 0.71 0.00 0.00 0.00 175.76 176.49 2kq2 s TYR 24 N 0.54 -0.10 -0.30 0.00 2.02 -1.14 -4.28 117.35 114.09 2kq2 s TYR 24 Ca -0.04 0.27 0.03 0.00 -0.37 0.00 0.00 57.07 56.97 2kq2 s TYR 24 Cb -0.05 0.01 0.08 0.00 -0.40 0.00 0.00 41.96 41.60 2kq2 s TYR 24 CO -0.03 -0.06 -0.02 0.00 -1.57 0.00 0.00 175.55 173.87 2kq2 s ALA 25 N 0.22 2.75 -0.66 3.71 0.00 0.58 -3.37 121.76 124.99 2kq2 s ALA 25 Ca -0.01 -2.16 -0.21 0.00 0.00 0.00 0.00 51.96 49.58 2kq2 s ALA 25 Cb -0.02 -1.80 0.09 0.00 0.00 0.00 0.00 23.12 21.38 2kq2 s ALA 25 CO -0.01 -1.45 0.88 -0.06 0.00 0.00 0.00 175.76 175.12 2kq2 s PHE 26 N 1.01 2.85 -0.21 0.00 0.08 -0.34 -1.17 117.98 120.19 2kq2 s PHE 26 Ca 0.01 -0.80 -0.06 0.00 0.12 0.00 0.00 56.93 56.20 2kq2 s PHE 26 Cb -0.20 -4.19 -0.03 0.00 -0.57 0.00 0.00 43.02 38.04 2kq2 s PHE 26 CO -0.06 -1.50 0.03 0.54 -0.10 0.00 0.00 175.22 174.13 2kq2 s VAL 27 N 3.38 4.25 -0.04 -0.44 0.11 -0.88 -0.42 120.40 126.36 2kq2 s VAL 27 Ca 0.19 -0.21 0.02 0.00 -2.93 0.00 0.00 61.98 59.05 2kq2 s VAL 27 Cb -0.18 -2.94 0.02 0.00 -1.53 0.00 0.00 36.38 31.74 2kq2 s VAL 27 CO 0.07 0.41 -0.06 -0.75 -3.33 0.00 0.00 175.10 171.43 2kq2 s LYS 28 N 1.03 0.98 -0.04 1.54 2.20 0.13 -3.44 119.74 122.14 2kq2 s LYS 28 Ca 0.03 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2kq2 s LYS 28 Cb -0.14 -0.92 0.00 0.00 -1.51 0.00 0.00 37.83 35.26 2kq2 s LYS 28 CO 0.02 -0.02 0.00 -0.25 -0.36 0.00 0.00 175.35 174.74 2kq2 n ASP 29 N 3.84 -4.76 0.00 1.43 8.00 -1.26 -0.78 116.55 123.02 2kq2 n ASP 29 Ca -0.24 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.27 2kq2 n ASP 29 Cb 0.52 -2.30 0.00 0.00 -0.02 0.00 0.00 41.12 39.32 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 -0.66 0.65 3.34 0.44 0.00 -1.26 -5.06 105.19 102.64 2kq2 n GLY 30 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.82 3.37 -0.53 1.61 -0.14 0.04 -5.08 119.74 118.20 2kq2 s LYS 31 Ca 0.00 -0.67 -0.25 0.00 -1.36 0.00 0.00 55.97 53.69 2kq2 s LYS 31 Cb 0.00 -2.73 0.04 0.00 -1.68 0.00 0.00 37.83 33.46 2kq2 s LYS 31 CO 0.00 0.09 0.95 0.54 -0.76 0.00 0.00 175.35 176.17 2kq2 s VAL 32 N 0.68 4.39 -0.01 3.17 0.11 -1.26 0.21 120.40 127.68 2kq2 s VAL 32 Ca -0.06 0.44 -0.20 0.00 -2.93 0.00 0.00 61.98 59.24 2kq2 s VAL 32 Cb -0.15 -4.52 -0.29 0.00 -1.53 0.00 0.00 36.38 29.89 2kq2 s VAL 32 CO 0.02 -1.05 1.00 -0.74 -3.33 0.00 0.00 175.10 171.00 2kq2 h HIS 33 N 9.26 0.67 -4.41 1.54 2.76 -1.10 -3.45 115.15 120.43 2kq2 h HIS 33 Ca -0.25 -0.43 -0.64 0.00 -2.20 0.00 0.00 60.37 56.85 2kq2 h HIS 33 Cb 1.07 -0.05 -0.30 0.00 1.55 0.00 0.00 27.41 29.68 2kq2 h HIS 33 CO 0.91 1.30 -0.87 0.71 -1.30 0.00 0.00 177.93 178.68 2kq2 s TYR 34 N -2.80 2.04 -0.30 5.26 1.51 -1.23 -5.01 117.35 116.82 2kq2 s TYR 34 Ca -0.13 -0.42 -0.11 0.00 -1.01 0.00 0.00 57.07 55.40 2kq2 s TYR 34 Cb 0.03 -1.32 0.13 0.00 -0.11 0.00 0.00 41.96 40.69 2kq2 s TYR 34 CO 0.85 -0.06 0.71 -2.00 -1.11 0.00 0.00 175.55 173.94 2kq2 s GLU 35 N -0.45 0.54 -0.02 -0.62 2.12 -1.26 -1.20 118.70 117.81 2kq2 s GLU 35 Ca 0.07 1.33 -0.28 0.00 0.36 0.00 0.00 54.97 56.44 2kq2 s GLU 35 Cb -0.09 0.78 0.10 0.00 0.26 0.00 0.00 34.13 35.18 2kq2 s GLU 35 CO -0.00 -0.18 0.85 0.34 -0.54 0.00 0.00 175.26 175.73 2kq2 s ASP 36 N 2.77 -0.42 -0.21 -1.70 2.15 -1.22 -5.04 116.67 113.01 2kq2 s ASP 36 Ca -0.06 0.15 -0.04 0.00 0.43 0.00 0.00 52.55 53.03 2kq2 s ASP 36 Cb -0.11 0.41 0.09 0.00 -0.30 0.00 0.00 42.92 43.01 2kq2 s ASP 36 CO -0.19 -0.61 0.18 0.00 -0.17 0.00 0.00 175.17 174.38 2kq2 s ALA 37 N -2.64 -0.02 0.09 3.66 0.00 -1.26 -2.87 121.76 118.71 2kq2 s ALA 37 Ca 0.02 -0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.01 2kq2 s ALA 37 Cb -0.01 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 2kq2 s ALA 37 CO -0.06 -1.27 -0.18 0.34 0.00 0.00 0.00 175.76 174.60 2kq2 s ASP 38 N 2.26 3.88 -0.05 0.00 -1.08 -0.63 -4.80 116.67 116.24 2kq2 s ASP 38 Ca 0.06 -0.50 -0.15 0.00 -0.52 0.00 0.00 52.55 51.44 2kq2 s ASP 38 Cb -0.16 -0.59 -0.05 0.00 -1.46 0.00 0.00 42.92 40.66 2kq2 s ASP 38 CO -0.15 0.21 0.41 0.68 0.52 0.00 0.00 175.17 176.84 2kq2 s VAL 39 N -1.06 5.11 0.00 1.11 -7.23 -1.26 -0.92 120.40 116.15 2kq2 s VAL 39 Ca 0.17 0.82 0.00 0.00 -1.81 0.00 0.00 61.98 61.16 2kq2 s VAL 39 Cb -0.11 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2kq2 s VAL 39 CO 0.08 0.49 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 2kq2 n GLY 40 N 2.41 -1.35 3.41 2.32 0.00 -0.55 -4.96 105.19 106.46 2kq2 n GLY 40 Ca -0.12 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.41 3.26 0.02 1.61 1.02 -1.26 -4.90 119.74 118.08 2kq2 s LYS 41 Ca 0.00 -1.42 0.03 0.00 0.02 0.00 0.00 55.97 54.60 2kq2 s LYS 41 Cb 0.00 -4.44 -0.02 0.00 -0.52 0.00 0.00 37.83 32.85 2kq2 s LYS 41 CO 0.00 -1.65 -0.08 -0.80 -0.92 0.00 0.00 175.35 171.89 2kq2 s ASN 42 N 3.52 0.98 0.09 2.83 0.01 -1.26 -5.02 114.94 116.08 2kq2 s ASN 42 Ca 0.20 -0.34 0.14 0.00 -0.71 0.00 0.00 52.86 52.15 2kq2 s ASN 42 Cb -0.16 -0.05 0.61 0.00 0.41 0.00 0.00 41.25 42.06 2kq2 s ASN 42 CO 0.02 -0.03 1.43 -0.81 -1.51 0.00 0.00 177.10 176.19 2kq2 n PRO 43 N 2.19 0.06 0.32 -0.60 -0.04 -1.26 -2.55 135.00 133.11 2kq2 n PRO 43 Ca -0.17 0.39 0.19 0.00 -0.04 0.00 0.00 63.50 63.86 2kq2 n PRO 43 Cb 0.56 -1.63 1.07 0.00 -0.04 0.00 0.00 33.50 33.46 2kq2 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kq2 h ALA 44 N 2.28 1.26 0.00 0.55 0.00 -1.99 -0.27 119.26 121.08 2kq2 h ALA 44 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kq2 h ALA 44 Cb 0.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kq2 h ALA 44 CO 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 179.25 179.16 2kq2 h ALA 45 N 2.00 1.68 0.00 0.00 0.00 -1.91 0.12 119.26 121.15 2kq2 h ALA 45 Ca -0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 2kq2 h ALA 45 Cb 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2kq2 h ALA 45 CO 0.00 0.11 -0.91 0.00 0.00 0.00 0.00 179.25 178.45 2kq2 h ALA 46 N 1.91 0.49 0.16 0.00 0.00 -1.29 0.85 119.26 121.39 2kq2 h ALA 46 Ca -0.00 -0.83 -0.21 0.00 0.00 0.00 0.00 54.91 53.87 2kq2 h ALA 46 Cb 0.18 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.85 2kq2 h ALA 46 CO 0.01 1.14 -0.92 1.15 0.00 0.00 0.00 179.25 180.63 2kq2 h THR 47 N 0.00 1.48 0.00 0.00 2.02 -1.36 -3.03 112.91 112.03 2kq2 h THR 47 Ca -0.01 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.60 2kq2 h THR 47 Cb 1.61 3.18 0.00 0.00 -1.74 0.00 0.00 68.15 71.21 2kq2 h THR 47 CO 0.12 0.73 -0.00 -0.03 0.37 0.00 0.00 175.52 176.71 2kq2 h MET 48 N -0.29 0.00 0.00 6.66 -1.53 -0.88 -3.40 114.93 115.49 2kq2 h MET 48 Ca -0.16 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.10 2kq2 h MET 48 Cb 1.73 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.78 2kq2 h MET 48 CO 0.17 0.00 -0.67 0.54 0.14 0.00 0.00 176.91 177.09 2kq2 n ARG 49 N -2.69 0.29 -0.64 0.39 5.12 -0.53 -4.92 116.66 113.69 2kq2 n ARG 49 Ca -0.00 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 2kq2 n ARG 49 Cb 0.00 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 29.63 2kq2 n ARG 49 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2kq2 n ASN 50 N -2.09 0.00 -0.27 0.55 2.85 0.18 -4.84 115.26 111.64 2kq2 n ASN 50 Ca 0.03 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.50 2kq2 n ASN 50 Cb 0.44 -1.18 0.12 0.00 1.24 0.00 0.00 39.78 40.40 2kq2 n ASN 50 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2kq2 h VAL 51 N 0.00 0.99 0.00 3.44 2.07 -1.80 -1.00 116.25 119.95 2kq2 h VAL 51 Ca 0.00 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2kq2 h VAL 51 Cb 0.00 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 2kq2 h VAL 51 CO 0.00 0.15 -0.03 0.00 0.02 0.00 0.00 177.57 177.71 2kq2 h ALA 52 N 1.38 1.15 0.03 1.67 0.00 -1.87 -1.68 119.26 119.92 2kq2 h ALA 52 Ca 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kq2 h ALA 52 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kq2 h ALA 52 CO -0.18 0.04 -0.01 0.78 0.00 0.00 0.00 179.25 179.87 2kq2 h GLY 53 N 0.57 -0.04 1.66 0.00 0.00 -1.48 -3.12 103.07 100.67 2kq2 h GLY 53 Ca -0.00 0.01 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 2kq2 h GLY 53 CO 0.00 -0.01 -0.57 1.05 0.00 0.00 0.00 176.54 177.01 2kq2 h GLU 54 N -0.75 0.35 0.00 4.80 4.11 -1.37 -2.97 114.58 118.75 2kq2 h GLU 54 Ca -0.00 -0.23 -0.11 0.00 0.07 0.00 0.00 59.36 59.09 2kq2 h GLU 54 Cb 0.68 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2kq2 h GLU 54 CO 0.01 0.82 -0.52 -0.84 0.07 0.00 0.00 179.01 178.55 2kq2 h ILE 55 N 0.27 1.32 -0.33 -1.06 3.07 -1.46 -3.10 117.51 116.21 2kq2 h ILE 55 Ca 0.00 -1.83 0.09 0.00 1.55 0.00 0.00 64.86 64.68 2kq2 h ILE 55 Cb 1.07 2.00 -0.01 0.00 -0.27 0.00 0.00 36.82 39.61 2kq2 h ILE 55 CO 0.09 0.51 0.44 0.00 -1.05 0.00 0.00 178.15 178.15 2kq2 h ALA 56 N 1.48 1.96 -0.36 0.16 0.00 -1.45 0.92 119.26 121.96 2kq2 h ALA 56 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2kq2 h ALA 56 Cb 0.96 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2kq2 h ALA 56 CO 0.07 -0.61 0.24 0.00 0.00 0.00 0.00 179.25 178.95 2kq2 h ALA 57 N 1.42 2.03 0.00 0.00 0.00 -1.70 -1.15 119.26 119.86 2kq2 h ALA 57 Ca 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2kq2 h ALA 57 Cb 1.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2kq2 h ALA 57 CO -0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 179.25 178.93 2kq2 h ALA 58 N 1.81 1.02 -0.74 0.00 0.00 -1.05 -2.98 119.26 117.31 2kq2 h ALA 58 Ca 0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2kq2 h ALA 58 Cb 0.32 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2kq2 h ALA 58 CO -0.03 0.28 0.31 1.25 0.00 0.00 0.00 179.25 181.06 2kq2 h LEU 59 N 0.00 1.00 -0.68 0.00 6.46 -1.33 -1.85 115.31 118.92 2kq2 h LEU 59 Ca -0.00 -0.16 -0.09 0.00 -0.12 0.00 0.00 57.88 57.51 2kq2 h LEU 59 Cb 0.75 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 2kq2 h LEU 59 CO 0.03 0.89 -0.42 1.88 -0.62 0.00 0.00 178.44 180.20 2kq2 h TYR 60 N 1.05 0.00 -0.56 1.25 -1.99 -1.60 0.74 116.97 115.87 2kq2 h TYR 60 Ca 0.25 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.92 2kq2 h TYR 60 Cb 0.19 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 2kq2 h TYR 60 CO 0.01 0.42 0.10 0.00 -0.00 0.00 0.00 178.16 178.70 2kq2 h ALA 61 N 1.58 0.74 -0.19 3.88 0.00 -1.38 -0.77 119.26 123.12 2kq2 h ALA 61 Ca -0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 2kq2 h ALA 61 Cb 1.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2kq2 h ALA 61 CO 0.05 0.47 -0.44 0.28 0.00 0.00 0.00 179.25 179.62 2kq2 h VAL 62 N 0.81 1.31 -0.56 0.00 2.07 -1.01 -2.46 116.25 116.40 2kq2 h VAL 62 Ca 0.17 -1.62 0.01 0.00 0.82 0.00 0.00 66.70 66.09 2kq2 h VAL 62 Cb 0.40 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 2kq2 h VAL 62 CO 0.01 0.50 0.36 0.50 0.02 0.00 0.00 177.57 178.96 2kq2 h LYS 63 N 0.37 0.71 0.00 1.57 3.11 -0.50 -2.21 116.57 119.62 2kq2 h LYS 63 Ca 0.03 -0.04 -0.09 0.00 -2.81 0.00 0.00 60.65 57.73 2kq2 h LYS 63 Cb 0.92 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.97 2kq2 h LYS 63 CO 0.08 0.47 -0.44 -0.22 -2.81 0.00 0.00 179.45 176.53 2kq2 h LYS 64 N 0.73 0.00 -0.71 1.90 3.64 -1.03 -3.19 116.57 117.92 2kq2 h LYS 64 Ca 0.21 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.69 2kq2 h LYS 64 Cb -0.05 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 2kq2 h LYS 64 CO -0.06 0.44 0.47 0.00 -2.27 0.00 0.00 179.45 178.02 2kq2 h ALA 65 N 1.56 1.87 -0.82 5.00 0.00 -0.91 -0.96 119.26 124.99 2kq2 h ALA 65 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kq2 h ALA 65 Cb 0.87 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2kq2 h ALA 65 CO 0.06 -0.01 0.53 0.66 0.00 0.00 0.00 179.25 180.48 2kq2 h SER 66 N 0.60 0.95 -0.20 0.00 4.64 -1.58 0.19 113.55 118.14 2kq2 h SER 66 Ca 0.32 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.52 2kq2 h SER 66 Cb 0.47 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2kq2 h SER 66 CO -0.11 0.70 -0.16 -0.61 -0.87 0.00 0.00 176.83 175.78 2kq2 h GLN 67 N 1.11 0.61 0.00 4.77 4.15 -1.36 -2.54 115.11 121.85 2kq2 h GLN 67 Ca 0.30 -0.20 -0.13 0.00 0.77 0.00 0.00 58.65 59.38 2kq2 h GLN 67 Cb -0.11 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 2kq2 h GLN 67 CO -0.06 0.74 -0.90 -0.07 -1.93 0.00 0.00 178.83 176.61 2kq2 h LEU 68 N 0.55 0.00 0.00 -2.39 4.07 -1.32 -3.48 115.31 112.74 2kq2 h LEU 68 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 2kq2 h LEU 68 Cb 0.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2kq2 h LEU 68 CO 0.04 0.55 0.00 0.61 -1.08 0.00 0.00 178.44 178.56 2kq2 n GLY 69 N 1.30 0.71 3.96 0.83 0.00 0.57 -5.08 105.19 107.48 2kq2 n GLY 69 Ca -0.03 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.00 5.27 0.37 1.61 -7.23 -0.57 -5.00 120.40 112.85 2kq2 s VAL 70 Ca 0.00 -0.83 -0.07 0.00 -1.81 0.00 0.00 61.98 59.26 2kq2 s VAL 70 Cb 0.00 -3.81 0.03 0.00 0.56 0.00 0.00 36.38 33.16 2kq2 s VAL 70 CO 0.00 -0.25 0.61 2.29 -0.31 0.00 0.00 175.10 177.44 2kq2 n LYS 71 N -1.09 0.88 -3.36 4.82 2.85 -1.26 -4.28 118.16 116.72 2kq2 n LYS 71 Ca -0.08 -2.55 -0.19 0.00 -1.05 0.00 0.00 58.31 54.44 2kq2 n LYS 71 Cb 0.56 2.72 -0.02 0.00 -0.65 0.00 0.00 35.03 37.64 2kq2 n LYS 71 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2kq2 n ILE 72 N -0.56 0.00 -3.83 0.58 -5.35 -0.86 -3.94 119.36 105.40 2kq2 n ILE 72 Ca -0.03 -1.50 -0.25 0.00 -0.27 0.00 0.00 62.75 60.70 2kq2 n ILE 72 Cb 0.59 0.04 -0.17 0.00 -1.74 0.00 0.00 39.64 38.36 2kq2 n ILE 72 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2kq2 s ARG 73 N -3.35 1.03 -0.35 6.28 3.52 -1.05 -4.91 118.95 120.11 2kq2 s ARG 73 Ca 0.11 -0.08 -0.13 0.00 -0.13 0.00 0.00 55.73 55.50 2kq2 s ARG 73 Cb -0.01 -1.30 -0.00 0.00 -1.56 0.00 0.00 34.95 32.08 2kq2 s ARG 73 CO 0.07 -0.30 0.23 -1.50 -0.81 0.00 0.00 175.30 172.99 2kq2 s ILE 74 N 1.85 5.09 0.00 4.11 1.10 -1.26 -4.04 121.20 128.04 2kq2 s ILE 74 Ca 0.05 -0.41 0.00 0.00 -0.51 0.00 0.00 60.65 59.78 2kq2 s ILE 74 Cb -0.13 -3.68 0.00 0.00 0.15 0.00 0.00 42.46 38.81 2kq2 s ILE 74 CO -0.07 -0.08 0.00 0.18 -2.11 0.00 0.00 174.94 172.87 2kq2 n LEU 75 N 5.08 0.00 0.00 8.50 7.99 -1.26 -3.99 117.00 133.32 2kq2 n LEU 75 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 2kq2 n LEU 75 Cb 0.49 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.80 2kq2 n LEU 75 CO 0.37 0.00 0.00 1.41 -1.51 0.00 0.00 177.39 177.66 2kq2 n HIS 76 N 0.00 0.00 -4.21 -1.77 8.25 -1.26 -5.12 115.22 111.11 2kq2 n HIS 76 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2kq2 n HIS 76 Cb 0.00 0.14 -0.10 0.00 1.12 0.00 0.00 29.99 31.15 2kq2 n HIS 76 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2kq2 s ASP 77 N -0.67 1.44 0.00 0.41 1.47 -1.26 -5.03 116.67 113.04 2kq2 s ASP 77 Ca 0.00 -1.03 0.05 0.00 1.18 0.00 0.00 52.55 52.75 2kq2 s ASP 77 Cb 0.00 0.05 0.08 0.00 -0.34 0.00 0.00 42.92 42.70 2kq2 s ASP 77 CO 0.00 -0.42 0.91 0.00 0.68 0.00 0.00 175.17 176.35 2kq2 n TYR 78 N -0.13 0.00 0.61 2.11 0.18 -1.26 -4.96 117.16 113.70 2kq2 n TYR 78 Ca -0.11 -0.34 0.12 0.00 1.88 0.00 0.00 57.90 59.46 2kq2 n TYR 78 Cb 0.61 0.28 0.45 0.00 -0.38 0.00 0.00 39.34 40.31 2kq2 n TYR 78 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2kq2 n ALA 79 N 0.09 2.07 -0.18 -3.48 0.00 -1.26 -3.65 120.51 114.10 2kq2 n ALA 79 Ca -0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.30 2kq2 n ALA 79 Cb 0.73 -1.43 0.09 0.00 0.00 0.00 0.00 19.45 18.84 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 3.80 0.72 2.00 0.00 0.00 -2.01 0.07 103.07 107.64 2kq2 h GLY 80 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2kq2 h GLY 80 CO 0.00 -0.08 -0.01 0.16 0.00 0.00 0.00 176.54 176.61 2kq2 h ILE 81 N 0.28 0.02 0.00 2.60 3.07 -2.02 -3.10 117.51 118.36 2kq2 h ILE 81 Ca 0.29 -0.77 -0.08 0.00 1.55 0.00 0.00 64.86 65.85 2kq2 h ILE 81 Cb 0.40 1.75 -0.01 0.00 -0.27 0.00 0.00 36.82 38.69 2kq2 h ILE 81 CO -0.35 0.01 -0.41 0.00 -1.05 0.00 0.00 178.15 176.34 2kq2 h ALA 82 N 1.99 0.76 0.00 0.16 0.00 -1.20 -3.21 119.26 117.76 2kq2 h ALA 82 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kq2 h ALA 82 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kq2 h ALA 82 CO 0.00 0.46 0.00 0.35 0.00 0.00 0.00 179.25 180.06 2kq2 h PHE 83 N 0.00 0.00 -0.55 0.00 3.57 -1.20 -1.68 116.94 117.09 2kq2 h PHE 83 Ca -0.01 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2kq2 h PHE 83 Cb 1.28 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 2kq2 h PHE 83 CO 0.00 0.00 0.08 -1.49 -2.23 0.00 0.00 178.31 174.67 2kq2 h TRP 84 N 0.00 0.92 0.00 0.41 4.06 -1.73 -1.36 115.95 118.25 2kq2 h TRP 84 Ca 0.00 -0.11 -0.16 0.00 2.06 0.00 0.00 58.89 60.68 2kq2 h TRP 84 Cb 0.31 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.18 2kq2 h TRP 84 CO 0.00 0.80 -0.78 0.00 -3.56 0.00 0.00 178.44 174.90 2kq2 h ALA 85 N 1.25 0.65 0.14 1.49 0.00 -1.51 -3.26 119.26 118.01 2kq2 h ALA 85 Ca 0.17 -0.71 -0.28 0.00 0.00 0.00 0.00 54.91 54.09 2kq2 h ALA 85 Cb 0.38 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kq2 h ALA 85 CO 0.01 0.97 -1.31 1.79 0.00 0.00 0.00 179.25 180.71 2kq2 h THR 86 N 0.00 1.42 0.00 0.00 1.35 -1.51 -3.46 112.91 110.71 2kq2 h THR 86 Ca -0.01 -2.99 0.00 0.00 -0.55 0.00 0.00 66.41 62.86 2kq2 h THR 86 Cb 1.43 2.92 0.00 0.00 -1.73 0.00 0.00 68.15 70.78 2kq2 h THR 86 CO 0.10 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 176.86 2kq2 n GLY 87 N 1.57 0.00 0.12 5.82 0.00 -0.92 -5.05 105.19 106.73 2kq2 n GLY 87 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 2kq2 n GLY 87 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kq2 h GLU 88 N 0.00 0.28 -5.68 1.61 4.81 -1.38 -3.44 114.58 110.78 2kq2 h GLU 88 Ca 0.00 -0.49 -0.59 0.00 -0.13 0.00 0.00 59.36 58.16 2kq2 h GLU 88 Cb 0.00 0.18 -0.09 0.00 0.63 0.00 0.00 28.75 29.47 2kq2 h GLU 88 CO 0.00 1.23 -0.01 -0.46 -0.73 0.00 0.00 179.01 179.04 2kq2 s TRP 89 N -2.43 3.43 -0.02 0.92 -0.11 -1.26 -5.03 118.94 114.44 2kq2 s TRP 89 Ca -0.15 0.89 -0.30 0.00 1.22 0.00 0.00 56.10 57.76 2kq2 s TRP 89 Cb 0.01 -2.68 -0.04 0.00 -1.50 0.00 0.00 33.47 29.26 2kq2 s TRP 89 CO 0.82 -0.03 1.29 0.15 -4.62 0.00 0.00 176.95 174.56 2kq2 s LYS 90 N 1.34 4.33 0.18 5.86 1.02 -1.26 -4.98 119.74 126.22 2kq2 s LYS 90 Ca 0.27 1.81 -0.30 0.00 0.02 0.00 0.00 55.97 57.77 2kq2 s LYS 90 Cb -0.16 -3.55 -0.08 0.00 -0.52 0.00 0.00 37.83 33.53 2kq2 s LYS 90 CO 0.11 -0.49 1.19 0.00 -0.92 0.00 0.00 175.35 175.24 2kq2 s ALA 91 N 2.22 3.43 0.05 5.17 0.00 -1.26 -4.96 121.76 126.41 2kq2 s ALA 91 Ca 0.59 0.94 -0.22 0.00 0.00 0.00 0.00 51.96 53.28 2kq2 s ALA 91 Cb -0.28 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.32 2kq2 s ALA 91 CO 0.24 -0.37 1.33 0.87 0.00 0.00 0.00 175.76 177.84 2kq2 h LYS 92 N 5.27 -0.62 0.00 0.00 1.57 -1.95 -3.48 116.57 117.37 2kq2 h LYS 92 Ca -0.44 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2kq2 h LYS 92 Cb 1.21 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.66 2kq2 h LYS 92 CO 0.75 -0.41 0.00 0.09 -0.57 0.00 0.00 179.45 179.30 2kq2 n ASN 93 N -4.21 0.00 -0.05 0.86 3.02 -1.26 -5.01 115.26 108.60 2kq2 n ASN 93 Ca -0.08 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.42 2kq2 n ASN 93 Cb 0.29 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.37 2kq2 n ASN 93 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kq2 n GLU 94 N -0.45 2.20 0.07 3.52 -0.58 -1.26 -4.48 120.64 119.67 2kq2 n GLU 94 Ca 0.00 -0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 2kq2 n GLU 94 Cb 0.00 -1.28 -0.06 0.00 -0.57 0.00 0.00 31.44 29.53 2kq2 n GLU 94 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 2kq2 h PHE 95 N 0.00 -0.99 -0.39 -0.32 0.04 -1.98 0.20 116.94 113.50 2kq2 h PHE 95 Ca -0.30 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.38 2kq2 h PHE 95 Cb 1.68 0.43 -0.01 0.00 2.20 0.00 0.00 35.95 40.24 2kq2 h PHE 95 CO 0.00 -0.45 -0.26 1.15 -0.60 0.00 0.00 178.31 178.15 2kq2 h THR 96 N -0.53 1.27 -0.15 -1.55 2.02 -1.93 -2.96 112.91 109.09 2kq2 h THR 96 Ca 0.05 -1.40 -0.10 0.00 0.77 0.00 0.00 66.41 65.73 2kq2 h THR 96 Cb 0.60 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2kq2 h THR 96 CO -0.27 0.47 -0.35 1.56 0.37 0.00 0.00 175.52 177.30 2kq2 h GLN 97 N 0.71 0.30 -0.80 6.66 4.20 -1.68 -2.36 115.11 122.14 2kq2 h GLN 97 Ca 0.09 -0.13 0.06 0.00 0.06 0.00 0.00 58.65 58.73 2kq2 h GLN 97 Cb 0.80 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.52 2kq2 h GLN 97 CO 0.07 0.62 0.52 0.00 -0.67 0.00 0.00 178.83 179.37 2kq2 h ALA 98 N 1.38 1.61 -0.33 3.87 0.00 -0.43 -0.46 119.26 124.89 2kq2 h ALA 98 Ca 0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2kq2 h ALA 98 Cb 0.74 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2kq2 h ALA 98 CO 0.06 0.28 -0.25 -0.92 0.00 0.00 0.00 179.25 178.42 2kq2 h TYR 99 N 0.88 0.89 0.00 0.00 3.20 -1.44 -3.06 116.97 117.44 2kq2 h TYR 99 Ca 0.34 -0.25 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2kq2 h TYR 99 Cb 0.20 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2kq2 h TYR 99 CO -0.00 1.00 -0.04 0.00 -1.64 0.00 0.00 178.16 177.47 2kq2 h ALA 100 N 0.75 1.07 0.00 1.82 0.00 -0.79 -0.44 119.26 121.67 2kq2 h ALA 100 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kq2 h ALA 100 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2kq2 h ALA 100 CO 0.07 0.05 -0.14 1.63 0.00 0.00 0.00 179.25 180.86 2kq2 n LYS 101 N -3.25 0.06 -0.00 0.00 5.02 -0.30 -3.69 118.16 116.01 2kq2 n LYS 101 Ca -0.01 0.04 0.01 0.00 -2.02 0.00 0.00 58.31 56.33 2kq2 n LYS 101 Cb 0.23 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 33.66 2kq2 n LYS 101 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2kq2 n LEU 102 N -1.66 0.10 0.27 -0.35 7.94 -0.49 -4.68 117.00 118.12 2kq2 n LEU 102 Ca 0.06 -0.44 0.13 0.00 -1.11 0.00 0.00 56.01 54.65 2kq2 n LEU 102 Cb 0.36 0.00 0.75 0.00 0.53 0.00 0.00 43.42 45.06 2kq2 n LEU 102 CO 0.30 0.02 1.01 -0.03 -1.11 0.00 0.00 177.39 177.58 2kq2 h MET 103 N 0.00 0.00 -1.01 1.96 4.05 -1.21 -2.24 114.93 116.49 2kq2 h MET 103 Ca 0.00 0.00 0.23 0.00 -0.28 0.00 0.00 59.70 59.65 2kq2 h MET 103 Cb 0.06 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 30.75 2kq2 h MET 103 CO 0.00 0.10 0.62 -0.97 0.23 0.00 0.00 176.91 176.88 2kq2 h ASN 104 N 0.00 0.64 0.12 1.39 -1.24 -1.83 0.13 115.58 114.78 2kq2 h ASN 104 Ca -0.00 0.11 -0.11 0.00 0.71 0.00 0.00 56.30 57.00 2kq2 h ASN 104 Cb 0.25 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 2kq2 h ASN 104 CO 0.01 0.16 -0.39 -0.61 -1.29 0.00 0.00 177.43 175.31 2kq2 h GLN 105 N 0.58 0.36 -0.00 6.67 -0.00 -1.73 -2.78 115.11 118.22 2kq2 h GLN 105 Ca 0.60 -0.17 0.00 0.00 -0.00 0.00 0.00 58.65 59.08 2kq2 h GLN 105 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.67 2kq2 h GLN 105 CO -0.38 0.70 -0.02 0.98 0.00 0.00 0.00 178.83 180.10 2kq2 n TYR 106 N -4.04 0.00 -1.17 3.99 9.36 0.36 -4.91 117.16 120.75 2kq2 n TYR 106 Ca -0.01 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.86 2kq2 n TYR 106 Cb 0.48 -0.28 0.10 0.00 -0.63 0.00 0.00 39.34 39.02 2kq2 n TYR 106 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2kq2 n ARG 107 N -1.25 0.25 -1.70 2.98 5.12 -0.69 -4.84 116.66 116.53 2kq2 n ARG 107 Ca 0.14 0.15 -0.42 0.00 -1.93 0.00 0.00 57.85 55.79 2kq2 n ARG 107 Cb 0.25 -2.20 -0.00 0.00 -1.16 0.00 0.00 32.46 29.35 2kq2 n ARG 107 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kq2 n GLY 108 N 1.02 4.36 0.23 -0.13 0.00 -1.26 -4.67 105.19 104.74 2kq2 n GLY 108 Ca 0.12 -1.58 0.02 0.00 0.00 0.00 0.00 46.02 44.58 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 3.99 1.19 -1.37 -0.61 2.04 -1.93 -3.45 117.51 117.39 2kq2 h ILE 109 Ca 0.57 -0.88 -0.46 0.00 1.00 0.00 0.00 64.86 65.09 2kq2 h ILE 109 Cb 0.63 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2kq2 h ILE 109 CO 1.89 0.27 -0.29 -0.72 0.00 0.00 0.00 178.15 179.30 2kq2 s TYR 110 N -4.62 2.58 0.03 1.37 1.13 -1.26 -2.03 117.35 114.55 2kq2 s TYR 110 Ca -0.05 -0.49 -0.30 0.00 -1.41 0.00 0.00 57.07 54.82 2kq2 s TYR 110 Cb 0.15 -2.26 -0.04 0.00 -1.10 0.00 0.00 41.96 38.71 2kq2 s TYR 110 CO 0.73 -0.38 0.99 -1.54 -2.51 0.00 0.00 175.55 172.85 2kq2 s SER 111 N -4.29 7.37 0.44 -0.18 1.04 -1.26 -4.92 113.70 111.90 2kq2 s SER 111 Ca 0.52 1.71 0.07 0.00 0.48 0.00 0.00 55.95 58.74 2kq2 s SER 111 Cb -0.07 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.47 2kq2 s SER 111 CO 0.31 -0.24 0.34 -0.36 0.98 0.00 0.00 173.24 174.28 2kq2 s PHE 112 N 0.81 2.44 -0.29 5.02 0.08 -1.26 -5.08 117.98 119.71 2kq2 s PHE 112 Ca 0.51 -0.59 -0.15 0.00 0.12 0.00 0.00 56.93 56.82 2kq2 s PHE 112 Cb -0.22 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 2kq2 s PHE 112 CO 0.29 -0.14 0.38 -1.83 -0.10 0.00 0.00 175.22 173.81 2kq2 s GLU 113 N -4.12 3.88 -0.16 0.44 1.03 -1.26 -4.93 118.70 113.59 2kq2 s GLU 113 Ca 0.44 -0.09 -0.14 0.00 0.03 0.00 0.00 54.97 55.21 2kq2 s GLU 113 Cb -0.01 -3.70 0.04 0.00 -0.80 0.00 0.00 34.13 29.66 2kq2 s GLU 113 CO 0.25 -0.36 0.42 0.21 -1.33 0.00 0.00 175.26 174.45 2kq2 s LYS 114 N 2.08 0.48 -0.72 -4.83 2.47 -1.26 -4.93 119.74 113.02 2kq2 s LYS 114 Ca 0.14 0.60 -0.26 0.00 -1.56 0.00 0.00 55.97 54.89 2kq2 s LYS 114 Cb -0.16 0.22 0.00 0.00 -1.46 0.00 0.00 37.83 36.43 2kq2 s LYS 114 CO 0.11 -0.07 1.62 0.54 0.16 0.00 0.00 175.35 177.71 2kq2 s VAL 115 N 0.31 3.55 -0.22 4.02 0.11 -1.26 -4.95 120.40 121.96 2kq2 s VAL 115 Ca -0.01 0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.21 2kq2 s VAL 115 Cb -0.03 -4.41 0.04 0.00 -1.53 0.00 0.00 36.38 30.45 2kq2 s VAL 115 CO -0.00 -1.36 -0.14 -0.54 -3.33 0.00 0.00 175.10 169.73 2kq2 s LYS 116 N 6.38 2.44 0.34 1.54 -0.14 -1.26 -5.05 119.74 123.99 2kq2 s LYS 116 Ca 0.54 -1.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.08 2kq2 s LYS 116 Cb -0.09 -2.68 0.00 0.00 -1.68 0.00 0.00 37.83 33.38 2kq2 s LYS 116 CO 0.14 -0.42 0.00 0.00 -0.76 0.00 0.00 175.35 174.31 2kq2 n ALA 117 N 4.55 -1.96 -0.80 5.17 0.00 -1.26 -4.82 120.51 121.39 2kq2 n ALA 117 Ca -0.16 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2kq2 n ALA 117 Cb 0.46 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2kq2 n ALA 117 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2kq2 n HIS 118 N -2.72 0.00 0.05 0.00 -0.00 -1.26 -4.85 115.22 106.45 2kq2 n HIS 118 Ca 0.01 -0.05 -0.16 0.00 0.46 0.00 0.00 57.72 57.97 2kq2 n HIS 118 Cb 0.35 -0.01 -0.14 0.00 -0.12 0.00 0.00 29.99 30.07 2kq2 n HIS 118 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 2kq2 h SER 119 N 0.00 0.36 -3.86 0.26 0.02 -2.06 -3.51 113.55 104.77 2kq2 h SER 119 Ca 0.00 -0.52 0.10 0.00 -0.84 0.00 0.00 61.79 60.53 2kq2 h SER 119 Cb 0.66 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.03 2kq2 h SER 119 CO 0.00 1.43 -0.64 0.61 -1.14 0.00 0.00 176.83 177.10 2kq2 n GLY 120 N 1.67 -3.29 3.55 -3.77 0.00 -1.26 -4.98 105.19 97.11 2kq2 n GLY 120 Ca -0.17 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 2kq2 n GLY 120 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kq2 s ASN 121 N -5.10 4.30 0.39 1.61 0.02 -1.26 -5.03 114.94 109.88 2kq2 s ASN 121 Ca 0.00 -0.32 0.27 0.00 -1.02 0.00 0.00 52.86 51.78 2kq2 s ASN 121 Cb 0.00 -0.85 0.83 0.00 0.02 0.00 0.00 41.25 41.25 2kq2 s ASN 121 CO 0.00 0.23 1.77 -0.33 0.02 0.00 0.00 177.10 178.79 2kq2 h GLU 122 N 4.14 0.00 -0.38 -0.60 5.08 -1.97 0.46 114.58 121.31 2kq2 h GLU 122 Ca -0.48 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.77 2kq2 h GLU 122 Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2kq2 h GLU 122 CO 0.51 0.00 -0.18 0.74 -1.00 0.00 0.00 179.01 179.08 2kq2 h PHE 123 N 0.00 0.81 0.07 4.33 -1.00 -2.02 -2.87 116.94 116.27 2kq2 h PHE 123 Ca 0.00 -0.17 -0.25 0.00 2.81 0.00 0.00 57.97 60.36 2kq2 h PHE 123 Cb 0.71 -0.20 0.01 0.00 3.61 0.00 0.00 35.95 40.07 2kq2 h PHE 123 CO 0.00 0.86 -1.10 -0.97 -1.61 0.00 0.00 178.31 175.48 2kq2 h ASN 124 N 0.65 0.49 -0.92 2.17 -1.24 -1.68 -3.35 115.58 111.69 2kq2 h ASN 124 Ca 0.10 -0.46 0.17 0.00 0.71 0.00 0.00 56.30 56.82 2kq2 h ASN 124 Cb 0.67 -0.16 -0.08 0.00 0.73 0.00 0.00 38.32 39.49 2kq2 h ASN 124 CO 0.05 1.30 0.59 -0.78 -1.29 0.00 0.00 177.43 177.30 2kq2 h ASP 125 N 0.15 0.61 -0.14 1.15 3.58 0.10 0.47 116.42 122.35 2kq2 h ASP 125 Ca -0.11 0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.32 2kq2 h ASP 125 Cb 1.78 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.77 2kq2 h ASP 125 CO 0.19 0.27 -0.20 0.22 -2.88 0.00 0.00 179.24 176.84 2kq2 h TYR 126 N 0.63 0.47 0.00 0.28 5.03 -1.65 0.32 116.97 122.04 2kq2 h TYR 126 Ca 0.48 -0.16 -0.13 0.00 2.58 0.00 0.00 58.73 61.51 2kq2 h TYR 126 Cb 0.89 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.06 2kq2 h TYR 126 CO -0.00 0.81 -0.63 -0.24 -1.32 0.00 0.00 178.16 176.78 2kq2 h VAL 127 N -0.02 1.36 -0.05 1.81 3.04 -1.56 -1.72 116.25 119.11 2kq2 h VAL 127 Ca 0.01 -2.24 -0.00 0.00 -1.01 0.00 0.00 66.70 63.46 2kq2 h VAL 127 Cb 0.76 2.24 -0.00 0.00 -2.01 0.00 0.00 31.29 32.28 2kq2 h VAL 127 CO 0.05 0.62 0.01 -0.78 -1.01 0.00 0.00 177.57 176.46 2kq2 h ASP 128 N 0.00 0.08 -0.82 3.17 1.82 0.01 -2.53 116.42 118.16 2kq2 h ASP 128 Ca -0.01 -0.21 0.08 0.00 -0.39 0.00 0.00 57.03 56.50 2kq2 h ASP 128 Cb 1.19 -0.02 -0.07 0.00 0.68 0.00 0.00 39.33 41.11 2kq2 h ASP 128 CO 0.08 0.26 0.48 -0.03 -1.61 0.00 0.00 179.24 178.43 2kq2 h MET 129 N -0.12 0.81 0.00 0.28 4.05 -0.22 -0.65 114.93 119.09 2kq2 h MET 129 Ca 0.02 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.42 2kq2 h MET 129 Cb 0.22 -0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 30.79 2kq2 h MET 129 CO -0.00 0.54 -0.23 0.87 0.23 0.00 0.00 176.91 178.32 2kq2 h LYS 130 N 0.84 -0.35 -0.24 0.39 1.79 -1.11 -0.25 116.57 117.65 2kq2 h LYS 130 Ca 0.38 0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.81 2kq2 h LYS 130 Cb 0.28 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 2kq2 h LYS 130 CO -0.21 -0.23 -0.10 0.00 -1.08 0.00 0.00 179.45 177.83 2kq2 h ALA 131 N 0.50 0.34 -0.15 3.86 0.00 -1.02 -2.58 119.26 120.21 2kq2 h ALA 131 Ca 0.06 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 2kq2 h ALA 131 Cb 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2kq2 h ALA 131 CO -0.20 0.17 -0.58 0.87 0.00 0.00 0.00 179.25 179.52 2kq2 h LYS 132 N 0.22 0.47 0.00 0.00 1.57 -1.04 -2.03 116.57 115.76 2kq2 h LYS 132 Ca 0.06 -0.31 -0.14 0.00 -1.87 0.00 0.00 60.65 58.39 2kq2 h LYS 132 Cb 0.58 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 2kq2 h LYS 132 CO 0.03 0.92 -0.65 0.66 -0.57 0.00 0.00 179.45 179.84 2kq2 h SER 133 N 0.36 0.00 1.40 0.86 4.64 -1.08 0.67 113.55 120.39 2kq2 h SER 133 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kq2 h SER 133 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2kq2 h SER 133 CO 0.10 0.65 0.00 0.00 -0.87 0.00 0.00 176.83 176.71 2kq2 h ALA 134 N 1.35 1.00 0.00 5.18 0.00 -1.16 -2.84 119.26 122.78 2kq2 h ALA 134 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kq2 h ALA 134 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2kq2 h ALA 134 CO 0.08 0.00 -1.23 1.28 0.00 0.00 0.00 179.25 179.39 2kq2 n LEU 135 N -3.03 0.57 0.00 0.00 4.77 -0.79 -4.98 117.00 113.53 2kq2 n LEU 135 Ca 0.02 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2kq2 n LEU 135 Cb 0.39 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2kq2 n LEU 135 CO 0.30 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2kq2 n GLY 136 N 1.27 1.46 3.66 -0.72 0.00 -0.58 -5.06 105.19 105.22 2kq2 n GLY 136 Ca -0.00 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 4.70 -0.11 -0.61 -1.09 0.12 -5.01 121.20 117.20 2kq2 s ILE 137 Ca 0.00 1.97 0.03 0.00 -2.23 0.00 0.00 60.65 60.42 2kq2 s ILE 137 Cb 0.00 -4.29 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 2kq2 s ILE 137 CO 0.00 -0.17 -0.23 -0.13 -1.23 0.00 0.00 174.94 173.18 2kq2 s ARG 138 N 3.16 2.96 -0.64 2.79 3.00 -1.26 -4.62 118.95 124.34 2kq2 s ARG 138 Ca 0.43 -0.84 -0.12 0.00 0.00 0.00 0.00 55.73 55.20 2kq2 s ARG 138 Cb -0.15 -2.30 0.02 0.00 0.00 0.00 0.00 34.95 32.51 2kq2 s ARG 138 CO 0.06 0.10 0.64 -0.25 0.00 0.00 0.00 175.30 175.85 2kq2 n ASP 139 N 3.75 -6.51 -0.01 0.23 9.92 -1.26 -4.97 116.55 117.69 2kq2 n ASP 139 Ca -0.19 -0.21 -0.00 0.00 -0.53 0.00 0.00 54.79 53.85 2kq2 n ASP 139 Cb 0.52 -3.52 -0.00 0.00 -0.64 0.00 0.00 41.12 37.48 2kq2 n ASP 139 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2kq2 h LEU 140 N 0.93 0.00 -1.91 0.64 7.12 -2.02 -3.40 115.31 116.66 2kq2 h LEU 140 Ca -0.30 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.71 2kq2 h LEU 140 Cb 1.20 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 2kq2 h LEU 140 CO 0.28 0.10 0.00 1.21 -0.13 0.00 0.00 178.44 179.91 2kq2 n GLU 141 N -2.57 1.70 -2.58 1.25 4.07 -1.26 -4.88 120.64 116.37 2kq2 n GLU 141 Ca -0.00 -1.71 -0.41 0.00 -0.06 0.00 0.00 57.16 54.98 2kq2 n GLU 141 Cb 0.01 -1.35 -0.03 0.00 -0.06 0.00 0.00 31.44 30.00 2kq2 n GLU 141 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2kq2 s HIS 142 N -1.36 2.34 -0.29 4.31 2.46 -1.26 -4.92 115.29 116.57 2kq2 s HIS 142 Ca 0.24 -0.15 -0.22 0.00 0.47 0.00 0.00 55.06 55.40 2kq2 s HIS 142 Cb 0.15 -4.60 0.14 0.00 -0.13 0.00 0.00 32.58 28.14 2kq2 s HIS 142 CO 0.22 -2.03 1.05 -1.58 -2.47 0.00 0.00 174.74 169.93 2kq2 s HIS 143 N 5.52 -0.47 -0.30 3.88 5.04 -1.26 -4.83 115.29 122.88 2kq2 s HIS 143 Ca 0.34 1.06 -0.29 0.00 -1.54 0.00 0.00 55.06 54.63 2kq2 s HIS 143 Cb -0.08 0.36 -0.01 0.00 0.04 0.00 0.00 32.58 32.89 2kq2 s HIS 143 CO 0.13 -0.23 1.46 -1.01 -2.34 0.00 0.00 174.74 172.75 2kq2 s HIS 144 N 0.62 2.37 -0.09 3.88 3.76 -1.26 -4.98 115.29 119.59 2kq2 s HIS 144 Ca -0.01 0.70 -0.06 0.00 -0.15 0.00 0.00 55.06 55.55 2kq2 s HIS 144 Cb -0.04 -4.02 0.04 0.00 1.11 0.00 0.00 32.58 29.66 2kq2 s HIS 144 CO -0.10 -2.26 0.22 -3.38 -0.85 0.00 0.00 174.74 168.36 2kq2 s HIS 145 N 5.02 -0.27 -0.13 1.40 -0.00 -1.26 -5.01 115.29 115.05 2kq2 s HIS 145 Ca 0.64 0.67 0.18 0.00 -0.00 0.00 0.00 55.06 56.55 2kq2 s HIS 145 Cb -0.19 0.04 -0.19 0.00 -0.00 0.00 0.00 32.58 32.24 2kq2 s HIS 145 CO 0.28 -0.18 0.62 0.72 -0.00 0.00 0.00 174.74 176.18 2kq2 n HIS 146 N 3.78 0.62 -0.12 0.38 8.25 -1.26 -5.28 115.22 121.58 2kq2 n HIS 146 Ca -0.21 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2kq2 n HIS 146 Cb 0.55 -0.96 0.00 0.00 1.12 0.00 0.00 29.99 30.70 2kq2 n HIS 146 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70