#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 0.26 -2.66 6.12 9.92 -1.26 -5.12 116.55 123.80 2kq2 n ASP 2 Ca 0.00 0.24 -0.04 0.00 -0.53 0.00 0.00 54.79 54.46 2kq2 n ASP 2 Cb 0.00 0.06 -0.03 0.00 -0.64 0.00 0.00 41.12 40.52 2kq2 n ASP 2 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2kq2 n ASP 3 N -3.25 -3.42 0.00 -2.24 2.03 -1.26 -5.00 116.55 103.40 2kq2 n ASP 3 Ca 0.00 1.38 0.00 0.00 0.52 0.00 0.00 54.79 56.69 2kq2 n ASP 3 Cb 0.07 -5.25 0.00 0.00 -0.72 0.00 0.00 41.12 35.22 2kq2 n ASP 3 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kq2 n ARG 4 N 1.34 1.45 -3.64 -0.67 1.74 -1.26 -5.00 116.66 110.61 2kq2 n ARG 4 Ca -0.26 -0.98 -0.15 0.00 -0.77 0.00 0.00 57.85 55.69 2kq2 n ARG 4 Cb 0.40 -0.80 -0.14 0.00 -1.02 0.00 0.00 32.46 30.90 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 -0.51 -0.34 -0.20 0.55 -1.32 -1.26 -5.02 115.64 107.53 2kq2 s THR 5 Ca 0.00 0.27 -0.11 0.00 -1.21 0.00 0.00 61.69 60.64 2kq2 s THR 5 Cb 0.00 -0.41 0.04 0.00 -1.51 0.00 0.00 72.50 70.62 2kq2 s THR 5 CO 0.00 0.09 0.21 -0.62 -2.21 0.00 0.00 174.62 172.10 2kq2 n GLU 6 N 5.34 -4.41 -3.23 7.08 1.02 -1.26 -5.02 120.64 120.16 2kq2 n GLU 6 Ca -0.05 3.35 -0.27 0.00 -0.02 0.00 0.00 57.16 60.17 2kq2 n GLU 6 Cb 0.50 -5.06 -0.02 0.00 -0.02 0.00 0.00 31.44 26.83 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 -0.81 3.50 -0.32 -0.32 1.51 -1.26 -4.90 117.35 114.76 2kq2 s TYR 7 Ca -0.24 0.57 -0.18 0.00 -1.01 0.00 0.00 57.07 56.20 2kq2 s TYR 7 Cb 0.02 -2.06 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 2kq2 s TYR 7 CO 0.79 0.08 0.54 -0.51 -1.11 0.00 0.00 175.55 175.33 2kq2 s ASP 8 N -3.64 6.38 -0.22 2.29 1.11 -1.22 -1.94 116.67 119.43 2kq2 s ASP 8 Ca 0.43 0.20 0.01 0.00 0.18 0.00 0.00 52.55 53.37 2kq2 s ASP 8 Cb -0.10 -2.28 0.05 0.00 1.07 0.00 0.00 42.92 41.66 2kq2 s ASP 8 CO 0.35 -0.44 -0.07 -0.69 1.18 0.00 0.00 175.17 175.51 2kq2 s VAL 9 N 2.43 1.49 0.09 -1.27 1.01 -1.24 -2.36 120.40 120.55 2kq2 s VAL 9 Ca 0.21 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 2kq2 s VAL 9 Cb -0.15 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 2kq2 s VAL 9 CO 0.12 0.00 0.30 -0.31 0.00 0.00 0.00 175.10 175.21 2kq2 s TYR 10 N 1.43 3.51 -0.15 5.22 2.02 -0.77 -3.69 117.35 124.92 2kq2 s TYR 10 Ca -0.04 0.46 -0.13 0.00 -0.37 0.00 0.00 57.07 57.00 2kq2 s TYR 10 Cb -0.18 -1.93 0.04 0.00 -0.40 0.00 0.00 41.96 39.50 2kq2 s TYR 10 CO -0.07 0.52 0.40 0.99 -1.57 0.00 0.00 175.55 175.82 2kq2 s THR 11 N -1.54 -0.01 -0.48 -0.71 2.01 -1.26 -1.96 115.64 111.69 2kq2 s THR 11 Ca 0.36 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.43 2kq2 s THR 11 Cb -0.13 -0.57 0.21 0.00 0.01 0.00 0.00 72.50 72.03 2kq2 s THR 11 CO 0.24 0.01 0.84 -0.67 -0.69 0.00 0.00 174.62 174.35 2kq2 n ASP 12 N 3.18 -2.96 0.00 3.53 2.03 -1.26 -4.40 116.55 116.67 2kq2 n ASP 12 Ca -0.15 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.47 2kq2 n ASP 12 Cb 0.57 1.59 0.00 0.00 -0.72 0.00 0.00 41.12 42.56 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 2.53 2.62 2.03 0.27 0.00 -0.74 -4.49 105.19 107.41 2kq2 n GLY 13 Ca 0.14 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2kq2 n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kq2 n SER 14 N 0.00 -0.47 -4.75 1.61 7.64 -1.26 -4.84 113.62 111.55 2kq2 n SER 14 Ca 0.00 0.10 -0.23 0.00 1.01 0.00 0.00 58.87 59.76 2kq2 n SER 14 Cb 0.00 0.84 -0.06 0.00 -1.01 0.00 0.00 64.21 63.99 2kq2 n SER 14 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2kq2 s TYR 15 N -2.00 2.76 -0.17 1.43 -0.85 -1.26 -1.83 117.35 115.44 2kq2 s TYR 15 Ca 0.00 -0.33 -0.04 0.00 -0.52 0.00 0.00 57.07 56.17 2kq2 s TYR 15 Cb 0.00 -1.60 0.07 0.00 0.38 0.00 0.00 41.96 40.81 2kq2 s TYR 15 CO 0.00 0.36 0.15 0.54 -1.52 0.00 0.00 175.55 175.08 2kq2 s VAL 16 N -2.38 -0.21 -1.48 -3.49 0.11 0.16 -4.86 120.40 108.25 2kq2 s VAL 16 Ca 0.37 -0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 59.30 2kq2 s VAL 16 Cb -0.04 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.27 2kq2 s VAL 16 CO 0.23 -0.17 0.71 0.59 -3.33 0.00 0.00 175.10 173.13 2kq2 n ASN 17 N 5.30 -5.71 0.00 3.54 3.02 -1.26 -2.69 115.26 117.46 2kq2 n ASN 17 Ca -0.06 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 2kq2 n ASN 17 Cb 0.49 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.06 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 -1.57 3.06 3.69 7.41 0.00 -1.26 -5.04 105.19 111.49 2kq2 n GLY 18 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2kq2 n GLY 18 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kq2 s GLN 19 N -0.35 4.41 -0.06 1.61 -2.07 -1.10 -5.02 119.66 117.08 2kq2 s GLN 19 Ca 0.00 1.19 0.04 0.00 -1.82 0.00 0.00 55.36 54.77 2kq2 s GLN 19 Cb 0.00 -3.52 -0.02 0.00 -1.09 0.00 0.00 33.01 28.38 2kq2 s GLN 19 CO 0.00 -0.21 -0.18 -0.47 -1.32 0.00 0.00 175.29 173.11 2kq2 s TYR 20 N 1.69 2.61 0.08 9.60 5.04 -1.26 -0.66 117.35 134.44 2kq2 s TYR 20 Ca 0.44 -0.40 0.05 0.00 -2.44 0.00 0.00 57.07 54.72 2kq2 s TYR 20 Cb -0.18 -1.64 -0.03 0.00 0.35 0.00 0.00 41.96 40.46 2kq2 s TYR 20 CO 0.18 0.00 -0.13 0.00 -1.34 0.00 0.00 175.55 174.26 2kq2 s ALA 21 N -0.41 1.19 -0.21 3.97 0.00 -0.76 -4.51 121.76 121.02 2kq2 s ALA 21 Ca 0.04 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 50.84 2kq2 s ALA 21 Cb -0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 2kq2 s ALA 21 CO 0.02 0.12 0.14 1.67 0.00 0.00 0.00 175.76 177.70 2kq2 s TRP 22 N -1.60 3.38 -0.20 0.00 1.48 -0.77 -4.40 118.94 116.83 2kq2 s TRP 22 Ca 0.01 0.29 -0.15 0.00 -1.06 0.00 0.00 56.10 55.18 2kq2 s TRP 22 Cb -0.08 -2.19 0.06 0.00 -1.16 0.00 0.00 33.47 30.10 2kq2 s TRP 22 CO 0.02 0.22 0.52 0.00 -4.06 0.00 0.00 176.95 173.65 2kq2 s ALA 23 N 0.55 -1.33 -0.09 2.67 0.00 -1.26 -2.77 121.76 119.53 2kq2 s ALA 23 Ca 0.08 1.66 -0.07 0.00 0.00 0.00 0.00 51.96 53.63 2kq2 s ALA 23 Cb -0.12 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.05 2kq2 s ALA 23 CO -0.00 -0.28 0.23 0.71 0.00 0.00 0.00 175.76 176.42 2kq2 s TYR 24 N 0.83 -0.26 -0.60 0.00 2.02 -1.26 -4.95 117.35 113.12 2kq2 s TYR 24 Ca -0.04 0.64 -0.21 0.00 -0.37 0.00 0.00 57.07 57.09 2kq2 s TYR 24 Cb -0.05 0.08 0.08 0.00 -0.40 0.00 0.00 41.96 41.66 2kq2 s TYR 24 CO -0.07 -0.14 0.82 0.00 -1.57 0.00 0.00 175.55 174.59 2kq2 s ALA 25 N 0.34 3.27 -0.60 3.71 0.00 -0.83 -4.99 121.76 122.66 2kq2 s ALA 25 Ca -0.02 -1.92 -0.20 0.00 0.00 0.00 0.00 51.96 49.82 2kq2 s ALA 25 Cb -0.03 -3.65 0.10 0.00 0.00 0.00 0.00 23.12 19.53 2kq2 s ALA 25 CO -0.01 -2.48 0.76 -0.06 0.00 0.00 0.00 175.76 173.97 2kq2 s PHE 26 N 3.34 2.93 -0.08 0.00 0.08 -1.26 -1.84 117.98 121.14 2kq2 s PHE 26 Ca 0.18 -0.86 0.02 0.00 0.12 0.00 0.00 56.93 56.38 2kq2 s PHE 26 Cb -0.20 -4.06 0.01 0.00 -0.57 0.00 0.00 43.02 38.21 2kq2 s PHE 26 CO 0.10 -1.36 -0.13 0.54 -0.10 0.00 0.00 175.22 174.26 2kq2 s VAL 27 N 2.97 1.23 -0.18 -0.44 0.11 -0.99 -4.42 120.40 118.68 2kq2 s VAL 27 Ca 0.14 -0.51 -0.05 0.00 -2.93 0.00 0.00 61.98 58.62 2kq2 s VAL 27 Cb -0.23 -1.13 -0.03 0.00 -1.53 0.00 0.00 36.38 33.46 2kq2 s VAL 27 CO 0.07 0.38 0.01 -0.75 -3.33 0.00 0.00 175.10 171.48 2kq2 s LYS 28 N 0.83 3.76 -0.20 1.54 2.20 -1.14 -3.41 119.74 123.32 2kq2 s LYS 28 Ca -0.11 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.04 2kq2 s LYS 28 Cb -0.15 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 2kq2 s LYS 28 CO 0.02 0.18 0.00 -3.47 -0.36 0.00 0.00 175.35 171.72 2kq2 n ASP 29 N 3.75 -4.92 0.00 1.43 2.03 -1.26 -1.85 116.55 115.73 2kq2 n ASP 29 Ca -0.17 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.19 2kq2 n ASP 29 Cb 0.52 -2.59 0.00 0.00 -0.72 0.00 0.00 41.12 38.33 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 -0.50 0.81 3.15 0.27 0.00 -1.26 -5.07 105.19 102.58 2kq2 n GLY 30 Ca -0.02 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.67 1.46 -0.20 1.61 0.00 -0.77 -5.06 119.74 116.10 2kq2 s LYS 31 Ca 0.00 -0.60 -0.19 0.00 0.00 0.00 0.00 55.97 55.18 2kq2 s LYS 31 Cb 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 37.83 36.43 2kq2 s LYS 31 CO 0.00 0.33 0.56 0.08 0.00 0.00 0.00 175.35 176.31 2kq2 s VAL 32 N -0.27 5.08 0.06 1.79 1.01 -1.26 -2.87 120.40 123.94 2kq2 s VAL 32 Ca 0.04 1.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.90 2kq2 s VAL 32 Cb -0.08 -3.88 -0.23 0.00 0.00 0.00 0.00 36.38 32.20 2kq2 s VAL 32 CO 0.00 0.16 1.18 1.12 0.00 0.00 0.00 175.10 177.55 2kq2 h HIS 33 N 7.47 0.98 -3.45 5.22 2.07 -1.95 -3.47 115.15 122.03 2kq2 h HIS 33 Ca -0.33 -0.53 -0.16 0.00 -2.85 0.00 0.00 60.37 56.50 2kq2 h HIS 33 Cb 1.15 -0.11 -0.22 0.00 2.57 0.00 0.00 27.41 30.80 2kq2 h HIS 33 CO 0.70 1.37 -0.49 0.71 -3.07 0.00 0.00 177.93 177.15 2kq2 s TYR 34 N -3.31 -0.03 -0.23 6.12 1.51 -1.26 -5.15 117.35 115.01 2kq2 s TYR 34 Ca -0.10 0.04 -0.05 0.00 -1.01 0.00 0.00 57.07 55.94 2kq2 s TYR 34 Cb 0.06 -0.01 -0.02 0.00 -0.11 0.00 0.00 41.96 41.88 2kq2 s TYR 34 CO 0.91 -0.23 0.01 -1.83 -1.11 0.00 0.00 175.55 173.29 2kq2 s GLU 35 N -0.97 3.53 0.02 -0.62 -1.05 -1.26 -4.97 118.70 113.38 2kq2 s GLU 35 Ca -0.11 -0.55 -0.29 0.00 -0.15 0.00 0.00 54.97 53.88 2kq2 s GLU 35 Cb -0.06 -3.14 0.11 0.00 -0.44 0.00 0.00 34.13 30.59 2kq2 s GLU 35 CO 0.01 -0.15 1.23 0.34 0.95 0.00 0.00 175.26 177.64 2kq2 s ASP 36 N 1.44 -0.05 0.00 0.83 -1.08 -1.26 -5.14 116.67 111.41 2kq2 s ASP 36 Ca 0.05 -0.23 0.00 0.00 -0.52 0.00 0.00 52.55 51.86 2kq2 s ASP 36 Cb -0.15 0.22 0.00 0.00 -1.46 0.00 0.00 42.92 41.53 2kq2 s ASP 36 CO 0.00 -0.42 0.00 0.00 0.52 0.00 0.00 175.17 175.28 2kq2 n ALA 37 N -0.61 0.00 -2.43 3.66 0.00 -1.26 -4.76 120.51 115.10 2kq2 n ALA 37 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 2kq2 n ALA 37 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 2kq2 n ALA 37 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kq2 s ASP 38 N 0.00 4.61 0.37 0.00 2.15 -1.11 -4.23 116.67 118.45 2kq2 s ASP 38 Ca 0.00 -0.91 0.05 0.00 0.43 0.00 0.00 52.55 52.12 2kq2 s ASP 38 Cb 0.00 -0.59 0.05 0.00 -0.30 0.00 0.00 42.92 42.09 2kq2 s ASP 38 CO 0.00 -0.46 0.45 1.33 -0.17 0.00 0.00 175.17 176.32 2kq2 n VAL 39 N -1.24 0.00 -2.63 1.11 0.24 -1.26 -1.84 118.33 112.70 2kq2 n VAL 39 Ca -0.01 -1.31 -0.08 0.00 -2.04 0.00 0.00 64.34 60.90 2kq2 n VAL 39 Cb 0.63 -0.54 0.04 0.00 -1.47 0.00 0.00 33.84 32.49 2kq2 n VAL 39 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kq2 n GLY 40 N 0.46 0.05 3.55 7.63 0.00 -1.26 -4.89 105.19 110.74 2kq2 n GLY 40 Ca 0.07 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 2kq2 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kq2 s LYS 41 N -4.52 2.36 -0.01 1.61 2.36 -1.26 -4.17 119.74 116.10 2kq2 s LYS 41 Ca 0.02 0.42 -0.09 0.00 -2.55 0.00 0.00 55.97 53.78 2kq2 s LYS 41 Cb -0.00 -4.70 0.01 0.00 -1.05 0.00 0.00 37.83 32.08 2kq2 s LYS 41 CO 0.34 -3.30 0.18 -0.80 1.55 0.00 0.00 175.35 173.32 2kq2 s ASN 42 N 9.19 -0.06 0.22 1.43 0.01 -1.26 -4.98 114.94 119.49 2kq2 s ASN 42 Ca 0.77 -0.04 -0.11 0.00 -0.71 0.00 0.00 52.86 52.77 2kq2 s ASN 42 Cb -0.11 0.26 0.31 0.00 0.41 0.00 0.00 41.25 42.12 2kq2 s ASN 42 CO 0.12 -0.33 1.63 -0.65 -1.51 0.00 0.00 177.10 176.36 2kq2 h PRO 43 N 4.47 0.05 0.14 -0.60 0.11 -1.99 0.39 132.00 134.56 2kq2 h PRO 43 Ca -0.30 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.54 2kq2 h PRO 43 Cb 1.19 -0.01 0.03 0.00 0.11 0.00 0.00 31.00 32.32 2kq2 h PRO 43 CO 0.40 0.03 -1.13 0.00 -0.21 0.00 0.00 178.00 177.09 2kq2 h ALA 44 N 1.65 -0.06 -0.50 -0.75 0.00 -1.97 -3.17 119.26 114.47 2kq2 h ALA 44 Ca 0.34 -0.75 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2kq2 h ALA 44 Cb 0.56 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2kq2 h ALA 44 CO -0.65 0.58 -0.03 0.00 0.00 0.00 0.00 179.25 179.15 2kq2 h ALA 45 N 0.21 0.68 -0.24 0.00 0.00 -1.67 -1.39 119.26 116.85 2kq2 h ALA 45 Ca -0.18 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 2kq2 h ALA 45 Cb 1.85 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2kq2 h ALA 45 CO 0.22 0.51 -0.31 0.00 0.00 0.00 0.00 179.25 179.67 2kq2 h ALA 46 N 0.92 1.02 0.00 0.00 0.00 -0.38 -2.20 119.26 118.62 2kq2 h ALA 46 Ca 0.14 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2kq2 h ALA 46 Cb 0.56 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2kq2 h ALA 46 CO 0.03 0.59 -0.37 1.15 0.00 0.00 0.00 179.25 180.66 2kq2 h THR 47 N 0.43 0.91 -0.39 0.00 2.02 -1.47 -2.79 112.91 111.62 2kq2 h THR 47 Ca 0.05 -1.45 -0.19 0.00 0.77 0.00 0.00 66.41 65.59 2kq2 h THR 47 Cb 0.75 1.88 -0.11 0.00 -1.74 0.00 0.00 68.15 68.93 2kq2 h THR 47 CO 0.06 0.36 0.24 0.23 0.37 0.00 0.00 175.52 176.78 2kq2 n MET 48 N -3.59 1.61 -4.38 6.66 2.81 -0.54 -4.79 117.12 114.90 2kq2 n MET 48 Ca -0.01 -1.22 -0.34 0.00 -1.81 0.00 0.00 57.70 54.33 2kq2 n MET 48 Cb 0.49 -1.51 -0.12 0.00 -0.71 0.00 0.00 33.22 31.37 2kq2 n MET 48 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2kq2 s ARG 49 N -1.37 3.64 0.41 0.03 1.81 -1.05 -4.99 118.95 117.42 2kq2 s ARG 49 Ca 0.23 -0.50 0.20 0.00 -1.72 0.00 0.00 55.73 53.94 2kq2 s ARG 49 Cb 0.19 -2.92 0.84 0.00 -0.45 0.00 0.00 34.95 32.61 2kq2 s ARG 49 CO 0.05 0.28 1.82 -0.97 -0.68 0.00 0.00 175.30 175.80 2kq2 h ASN 50 N 6.56 0.00 0.67 0.23 -0.73 -1.89 -2.19 115.58 118.24 2kq2 h ASN 50 Ca -0.33 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 57.72 2kq2 h ASN 50 Cb 1.19 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.76 2kq2 h ASN 50 CO 0.63 0.32 -0.59 0.58 -0.37 0.00 0.00 177.43 178.00 2kq2 h VAL 51 N 0.00 1.36 0.00 2.57 2.07 -1.94 -3.25 116.25 117.06 2kq2 h VAL 51 Ca -0.00 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.46 2kq2 h VAL 51 Cb 0.75 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2kq2 h VAL 51 CO 0.04 0.58 0.00 0.00 0.02 0.00 0.00 177.57 178.21 2kq2 h ALA 52 N 1.41 1.00 -0.44 1.67 0.00 -1.66 -3.08 119.26 118.16 2kq2 h ALA 52 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2kq2 h ALA 52 Cb 1.08 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 2kq2 h ALA 52 CO 0.08 0.00 -0.04 0.78 0.00 0.00 0.00 179.25 180.06 2kq2 h GLY 53 N 0.87 0.40 1.84 0.00 0.00 -1.69 0.18 103.07 104.68 2kq2 h GLY 53 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.29 2kq2 h GLY 53 CO 0.00 -0.14 -0.57 1.05 0.00 0.00 0.00 176.54 176.88 2kq2 h GLU 54 N 0.06 0.16 -0.48 4.80 4.11 -1.83 -2.67 114.58 118.74 2kq2 h GLU 54 Ca 0.22 -0.11 -0.02 0.00 0.07 0.00 0.00 59.36 59.53 2kq2 h GLU 54 Cb 0.33 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2kq2 h GLU 54 CO -0.41 0.69 0.24 0.82 0.07 0.00 0.00 179.01 180.42 2kq2 h ILE 55 N 0.12 1.18 -0.65 -1.06 1.08 -1.25 0.19 117.51 117.12 2kq2 h ILE 55 Ca -0.00 -0.51 -0.08 0.00 -0.39 0.00 0.00 64.86 63.88 2kq2 h ILE 55 Cb 1.05 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 35.42 2kq2 h ILE 55 CO 0.08 0.20 0.10 0.00 -0.69 0.00 0.00 178.15 177.84 2kq2 h ALA 56 N 1.08 0.93 -0.70 1.87 0.00 -0.68 -1.67 119.26 120.09 2kq2 h ALA 56 Ca 0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2kq2 h ALA 56 Cb 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2kq2 h ALA 56 CO -0.02 0.66 0.24 0.00 0.00 0.00 0.00 179.25 180.13 2kq2 h ALA 57 N 1.08 1.10 -0.35 0.00 0.00 -1.06 -2.00 119.26 118.02 2kq2 h ALA 57 Ca 0.20 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2kq2 h ALA 57 Cb 0.45 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kq2 h ALA 57 CO 0.01 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 2kq2 h ALA 58 N 1.23 1.33 -0.54 0.00 0.00 -0.30 -1.63 119.26 119.34 2kq2 h ALA 58 Ca 0.23 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2kq2 h ALA 58 Cb 0.26 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2kq2 h ALA 58 CO -0.01 0.46 0.35 1.25 0.00 0.00 0.00 179.25 181.29 2kq2 h LEU 59 N 0.52 0.58 -0.69 0.00 6.46 -0.58 0.09 115.31 121.70 2kq2 h LEU 59 Ca 0.11 -0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.78 2kq2 h LEU 59 Cb 0.36 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 2kq2 h LEU 59 CO 0.01 0.41 0.07 1.88 -0.62 0.00 0.00 178.44 180.19 2kq2 h TYR 60 N 0.69 1.15 -0.28 1.25 0.05 -1.06 -1.20 116.97 117.58 2kq2 h TYR 60 Ca 0.21 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 2kq2 h TYR 60 Cb -0.03 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.38 2kq2 h TYR 60 CO -0.05 0.99 0.15 0.00 -1.05 0.00 0.00 178.16 178.20 2kq2 h ALA 61 N 1.06 0.36 -0.46 3.88 0.00 -0.74 0.10 119.26 123.45 2kq2 h ALA 61 Ca 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2kq2 h ALA 61 Cb 0.48 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2kq2 h ALA 61 CO 0.02 -0.11 0.02 0.28 0.00 0.00 0.00 179.25 179.45 2kq2 h VAL 62 N 0.33 1.23 -0.56 0.00 2.07 -0.85 0.11 116.25 118.58 2kq2 h VAL 62 Ca 0.10 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 2kq2 h VAL 62 Cb 0.07 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2kq2 h VAL 62 CO -0.02 0.33 0.04 0.50 0.02 0.00 0.00 177.57 178.44 2kq2 h LYS 63 N 0.71 0.93 -0.26 1.57 3.64 -0.79 -2.31 116.57 120.06 2kq2 h LYS 63 Ca 0.14 -0.26 -0.17 0.00 -1.27 0.00 0.00 60.65 59.10 2kq2 h LYS 63 Cb 0.41 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2kq2 h LYS 63 CO 0.01 0.90 -0.51 0.87 -2.27 0.00 0.00 179.45 178.46 2kq2 h LYS 64 N 0.87 0.73 -0.45 1.90 1.79 -0.53 -3.06 116.57 117.81 2kq2 h LYS 64 Ca 0.17 -0.44 0.09 0.00 -2.18 0.00 0.00 60.65 58.29 2kq2 h LYS 64 Cb 0.46 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 2kq2 h LYS 64 CO 0.02 1.06 0.31 0.00 -1.08 0.00 0.00 179.45 179.76 2kq2 h ALA 65 N 0.85 2.12 -0.46 3.86 0.00 -0.36 0.33 119.26 125.61 2kq2 h ALA 65 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kq2 h ALA 65 Cb 1.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2kq2 h ALA 65 CO 0.11 -0.23 0.30 1.03 0.00 0.00 0.00 179.25 180.46 2kq2 h SER 66 N 0.23 0.53 0.14 0.00 0.87 -1.32 -0.11 113.55 113.90 2kq2 h SER 66 Ca 0.21 -0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 60.49 2kq2 h SER 66 Cb 0.52 -0.13 0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2kq2 h SER 66 CO -0.04 0.38 -1.10 1.56 -0.53 0.00 0.00 176.83 177.10 2kq2 h GLN 67 N 0.62 0.60 0.00 2.24 4.20 -1.05 -3.14 115.11 118.58 2kq2 h GLN 67 Ca 0.17 -0.71 0.00 0.00 0.06 0.00 0.00 58.65 58.17 2kq2 h GLN 67 Cb -0.07 0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2kq2 h GLN 67 CO -0.04 1.30 0.00 1.28 -0.67 0.00 0.00 178.83 180.70 2kq2 n LEU 68 N -3.80 0.57 0.00 1.46 4.32 -0.88 -4.88 117.00 113.80 2kq2 n LEU 68 Ca -0.11 0.61 0.00 0.00 -0.02 0.00 0.00 56.01 56.50 2kq2 n LEU 68 Cb 0.91 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 2kq2 n LEU 68 CO 0.56 -0.40 0.00 0.61 -1.22 0.00 0.00 177.39 176.93 2kq2 n GLY 69 N 0.37 0.52 3.54 -0.72 0.00 -0.17 -5.06 105.19 103.67 2kq2 n GLY 69 Ca 0.03 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 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 1.19 0.12 1.61 -7.23 -0.49 -5.03 120.40 108.56 2kq2 s VAL 70 Ca 0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2kq2 s VAL 70 Cb 0.00 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.31 2kq2 s VAL 70 CO 0.00 0.00 0.20 2.29 -0.31 0.00 0.00 175.10 177.28 2kq2 n LYS 71 N -0.87 0.29 -4.07 4.82 0.00 -1.26 -4.03 118.16 113.04 2kq2 n LYS 71 Ca -0.06 -0.84 -0.22 0.00 -0.00 0.00 0.00 58.31 57.19 2kq2 n LYS 71 Cb 0.66 0.89 -0.05 0.00 -0.00 0.00 0.00 35.03 36.53 2kq2 n LYS 71 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2kq2 s ILE 72 N -2.62 3.74 -0.31 0.58 -5.25 -1.19 -3.98 121.20 112.17 2kq2 s ILE 72 Ca 0.08 -1.55 -0.29 0.00 -0.99 0.00 0.00 60.65 57.90 2kq2 s ILE 72 Cb -0.01 -3.16 0.01 0.00 2.95 0.00 0.00 42.46 42.26 2kq2 s ILE 72 CO 0.06 -0.28 1.19 -0.60 -1.79 0.00 0.00 174.94 173.52 2kq2 s ARG 73 N -3.85 3.99 0.03 0.37 6.06 -0.82 -4.78 118.95 119.95 2kq2 s ARG 73 Ca 0.36 1.15 -0.30 0.00 -2.50 0.00 0.00 55.73 54.44 2kq2 s ARG 73 Cb -0.06 -3.81 -0.04 0.00 0.06 0.00 0.00 34.95 31.09 2kq2 s ARG 73 CO 0.24 -1.02 1.10 0.96 -2.50 0.00 0.00 175.30 174.08 2kq2 s ILE 74 N 4.02 4.40 0.00 4.11 -5.25 -1.26 -3.71 121.20 123.52 2kq2 s ILE 74 Ca 0.51 1.72 0.00 0.00 -0.99 0.00 0.00 60.65 61.89 2kq2 s ILE 74 Cb -0.14 -4.11 0.00 0.00 2.95 0.00 0.00 42.46 41.16 2kq2 s ILE 74 CO 0.20 0.13 0.00 -0.11 -1.79 0.00 0.00 174.94 173.37 2kq2 n LEU 75 N 3.94 0.00 -0.05 0.37 7.94 -1.24 -4.23 117.00 123.73 2kq2 n LEU 75 Ca 0.08 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.95 2kq2 n LEU 75 Cb 0.48 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.43 2kq2 n LEU 75 CO 0.54 -0.14 -0.18 -0.74 -1.11 0.00 0.00 177.39 175.76 2kq2 h HIS 76 N 0.00 0.00 0.00 1.96 6.17 -1.87 -3.42 115.15 117.99 2kq2 h HIS 76 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2kq2 h HIS 76 Cb 0.00 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.93 2kq2 h HIS 76 CO 0.00 0.00 0.00 -0.40 0.71 0.00 0.00 177.93 178.24 2kq2 n ASP 77 N -3.96 0.00 -3.60 3.26 5.75 -1.26 -5.13 116.55 111.61 2kq2 n ASP 77 Ca -0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.63 2kq2 n ASP 77 Cb 0.13 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.16 2kq2 n ASP 77 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2kq2 s TYR 78 N -0.66 -0.52 -0.09 2.11 5.04 -1.26 -5.04 117.35 116.92 2kq2 s TYR 78 Ca 0.00 1.11 0.14 0.00 -2.44 0.00 0.00 57.07 55.88 2kq2 s TYR 78 Cb 0.00 0.38 -0.24 0.00 0.35 0.00 0.00 41.96 42.46 2kq2 s TYR 78 CO 0.00 -0.35 0.47 0.00 -1.34 0.00 0.00 175.55 174.33 2kq2 n ALA 79 N 1.62 1.49 0.91 3.97 0.00 -1.26 -4.19 120.51 123.04 2kq2 n ALA 79 Ca -0.13 -0.94 0.09 0.00 0.00 0.00 0.00 53.44 52.45 2kq2 n ALA 79 Cb 0.57 -0.64 0.46 0.00 0.00 0.00 0.00 19.45 19.84 2kq2 n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kq2 n GLY 80 N 1.62 -0.75 0.30 0.00 0.00 -1.26 -2.95 105.19 102.15 2kq2 n GLY 80 Ca -0.22 -0.09 0.19 0.00 0.00 0.00 0.00 46.02 45.89 2kq2 n GLY 80 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2kq2 h ILE 81 N 0.00 0.05 0.00 -0.61 -0.00 -2.00 -2.89 117.51 112.07 2kq2 h ILE 81 Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 64.86 64.49 2kq2 h ILE 81 Cb 0.11 1.35 0.00 0.00 -0.00 0.00 0.00 36.82 38.27 2kq2 h ILE 81 CO 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 178.15 178.16 2kq2 n ALA 82 N -2.10 2.25 -0.25 0.16 0.00 -1.15 -3.95 120.51 115.47 2kq2 n ALA 82 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2kq2 n ALA 82 Cb 0.23 -1.00 0.31 0.00 0.00 0.00 0.00 19.45 18.99 2kq2 n ALA 82 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2kq2 h PHE 83 N 0.04 0.90 0.00 0.00 3.57 -1.80 -0.51 116.94 119.14 2kq2 h PHE 83 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2kq2 h PHE 83 Cb 0.08 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 2kq2 h PHE 83 CO 0.00 0.45 -0.07 0.11 -2.23 0.00 0.00 178.31 176.58 2kq2 h TRP 84 N 0.87 0.00 0.00 0.41 5.08 -1.84 -1.36 115.95 119.11 2kq2 h TRP 84 Ca 0.37 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 60.21 2kq2 h TRP 84 Cb 0.30 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.44 2kq2 h TRP 84 CO -0.00 0.07 -0.66 0.00 -1.28 0.00 0.00 178.44 176.56 2kq2 h ALA 85 N 1.93 0.63 -0.01 0.11 0.00 -1.25 -2.97 119.26 117.71 2kq2 h ALA 85 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2kq2 h ALA 85 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kq2 h ALA 85 CO 0.01 0.74 -0.24 0.25 0.00 0.00 0.00 179.25 180.01 2kq2 n THR 86 N -3.21 0.00 0.00 0.00 -2.24 -0.70 -3.80 114.28 104.33 2kq2 n THR 86 Ca 0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2kq2 n THR 86 Cb 0.77 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 1.33 2.32 0.18 3.38 0.00 -0.60 -4.93 105.19 106.87 2kq2 n GLY 87 Ca 0.13 -0.65 0.14 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.33 1.61 4.11 -1.64 -3.44 114.58 110.89 2kq2 h GLU 88 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 2kq2 h GLU 88 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 2kq2 h GLU 88 CO 0.00 0.00 -0.69 -0.46 0.07 0.00 0.00 179.01 177.93 2kq2 s TRP 89 N -3.41 0.60 -0.19 2.06 -0.11 -1.26 -5.04 118.94 111.58 2kq2 s TRP 89 Ca 0.04 -0.98 -0.29 0.00 1.22 0.00 0.00 56.10 56.09 2kq2 s TRP 89 Cb 0.09 -0.41 -0.05 0.00 -1.50 0.00 0.00 33.47 31.61 2kq2 s TRP 89 CO 0.48 -0.30 2.01 0.21 -4.62 0.00 0.00 176.95 174.72 2kq2 s LYS 90 N -3.68 3.46 -0.67 5.86 2.20 -1.26 -4.92 119.74 120.72 2kq2 s LYS 90 Ca 0.06 1.98 -0.20 0.00 -0.36 0.00 0.00 55.97 57.46 2kq2 s LYS 90 Cb 0.06 -4.25 0.10 0.00 -1.51 0.00 0.00 37.83 32.23 2kq2 s LYS 90 CO -0.08 -1.72 0.84 0.00 -0.36 0.00 0.00 175.35 174.03 2kq2 s ALA 91 N 6.86 3.35 -0.09 3.13 0.00 -1.26 -4.81 121.76 128.95 2kq2 s ALA 91 Ca 0.90 -2.24 0.15 0.00 0.00 0.00 0.00 51.96 50.77 2kq2 s ALA 91 Cb -0.32 -3.69 -0.19 0.00 0.00 0.00 0.00 23.12 18.92 2kq2 s ALA 91 CO 0.35 -2.55 0.71 1.63 0.00 0.00 0.00 175.76 175.90 2kq2 n LYS 92 N 6.64 0.63 -3.50 0.00 5.02 -1.26 -4.84 118.16 120.85 2kq2 n LYS 92 Ca -0.02 0.24 -0.36 0.00 -2.02 0.00 0.00 58.31 56.15 2kq2 n LYS 92 Cb 0.44 -1.78 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 2kq2 n LYS 92 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2kq2 s ASN 93 N -5.89 6.74 0.32 4.39 2.47 -1.26 -4.99 114.94 116.72 2kq2 s ASN 93 Ca -0.04 0.91 0.01 0.00 0.42 0.00 0.00 52.86 54.16 2kq2 s ASN 93 Cb 0.08 -2.23 0.52 0.00 -1.45 0.00 0.00 41.25 38.18 2kq2 s ASN 93 CO 0.82 0.20 1.91 -0.33 -3.72 0.00 0.00 177.10 175.98 2kq2 h GLU 94 N 3.94 0.80 -0.63 0.43 4.39 -2.01 -2.23 114.58 119.28 2kq2 h GLU 94 Ca -0.50 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.03 2kq2 h GLU 94 Cb 1.20 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 2kq2 h GLU 94 CO 0.65 0.64 0.15 0.74 -1.16 0.00 0.00 179.01 180.03 2kq2 h PHE 95 N 0.80 1.02 -0.77 4.33 0.04 -1.99 -2.47 116.94 117.90 2kq2 h PHE 95 Ca 0.19 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 2kq2 h PHE 95 Cb 0.13 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 37.95 2kq2 h PHE 95 CO 0.01 0.84 0.42 1.15 -0.60 0.00 0.00 178.31 180.13 2kq2 h THR 96 N 0.94 1.23 -0.80 -1.55 2.02 -1.81 0.21 112.91 113.16 2kq2 h THR 96 Ca 0.20 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.81 2kq2 h THR 96 Cb 0.34 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 2kq2 h THR 96 CO 0.00 0.26 0.52 1.56 0.37 0.00 0.00 175.52 178.23 2kq2 h GLN 97 N 1.07 1.01 -0.57 6.66 4.20 -1.34 -1.67 115.11 124.47 2kq2 h GLN 97 Ca 0.27 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.84 2kq2 h GLN 97 Cb 0.04 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 2kq2 h GLN 97 CO -0.04 0.67 0.04 0.00 -0.67 0.00 0.00 178.83 178.82 2kq2 h ALA 98 N 1.31 0.76 -0.79 3.87 0.00 -0.81 -1.97 119.26 121.64 2kq2 h ALA 98 Ca 0.31 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2kq2 h ALA 98 Cb -0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 2kq2 h ALA 98 CO -0.09 0.56 0.47 1.88 0.00 0.00 0.00 179.25 182.07 2kq2 h TYR 99 N 0.87 0.86 -0.35 0.00 0.05 -0.22 0.22 116.97 118.39 2kq2 h TYR 99 Ca 0.17 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.93 2kq2 h TYR 99 Cb 0.50 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 2kq2 h TYR 99 CO 0.04 0.42 0.04 0.00 -1.05 0.00 0.00 178.16 177.60 2kq2 h ALA 100 N 1.39 0.47 -0.34 3.88 0.00 -1.04 -2.88 119.26 120.75 2kq2 h ALA 100 Ca 0.35 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2kq2 h ALA 100 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2kq2 h ALA 100 CO -0.18 0.20 -0.32 0.87 0.00 0.00 0.00 179.25 179.81 2kq2 h LYS 101 N 0.43 0.74 -0.29 0.00 1.79 -0.96 -2.98 116.57 115.29 2kq2 h LYS 101 Ca 0.10 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2kq2 h LYS 101 Cb 0.39 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 2kq2 h LYS 101 CO 0.01 0.96 0.19 1.25 -1.08 0.00 0.00 179.45 180.78 2kq2 h LEU 102 N 0.62 0.33 -0.92 2.94 6.46 -0.49 -2.27 115.31 121.98 2kq2 h LEU 102 Ca 0.07 -0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.93 2kq2 h LEU 102 Cb 0.85 -0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 40.61 2kq2 h LEU 102 CO 0.07 0.24 0.55 0.24 -0.62 0.00 0.00 178.44 178.92 2kq2 h MET 103 N 0.39 0.86 -0.68 1.25 2.86 -1.34 -2.78 114.93 115.49 2kq2 h MET 103 Ca 0.11 -0.05 0.19 0.00 -2.06 0.00 0.00 59.70 57.89 2kq2 h MET 103 Cb -0.03 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.40 2kq2 h MET 103 CO -0.02 0.57 0.49 -0.97 1.06 0.00 0.00 176.91 178.03 2kq2 h ASN 104 N 0.89 0.03 -0.19 1.22 -1.24 -1.55 0.12 115.58 114.86 2kq2 h ASN 104 Ca 0.45 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.47 2kq2 h ASN 104 Cb 0.44 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.48 2kq2 h ASN 104 CO -0.26 0.01 0.11 -0.61 -1.29 0.00 0.00 177.43 175.39 2kq2 h GLN 105 N 0.03 0.22 0.00 6.67 -0.00 -1.68 -3.14 115.11 117.21 2kq2 h GLN 105 Ca 0.33 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.96 2kq2 h GLN 105 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.69 2kq2 h GLN 105 CO -0.01 0.15 -1.21 2.48 0.00 0.00 0.00 178.83 180.24 2kq2 n TYR 106 N -4.98 0.07 -2.17 3.99 0.18 -0.24 -4.88 117.16 109.13 2kq2 n TYR 106 Ca -0.03 0.02 -0.41 0.00 1.88 0.00 0.00 57.90 59.36 2kq2 n TYR 106 Cb 0.04 -0.25 -0.03 0.00 -0.38 0.00 0.00 39.34 38.73 2kq2 n TYR 106 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2kq2 s ARG 107 N -3.17 4.36 0.00 -3.48 1.81 0.25 -3.38 118.95 115.33 2kq2 s ARG 107 Ca 0.03 2.10 0.00 0.00 -1.72 0.00 0.00 55.73 56.15 2kq2 s ARG 107 Cb 0.15 -3.19 0.00 0.00 -0.45 0.00 0.00 34.95 31.47 2kq2 s ARG 107 CO 0.85 -0.31 0.00 0.41 -0.68 0.00 0.00 175.30 175.57 2kq2 n GLY 108 N 2.50 1.93 0.08 -3.53 0.00 -1.26 -4.87 105.19 100.04 2kq2 n GLY 108 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 1.56 -3.28 -0.61 2.04 -1.88 -3.41 117.51 111.93 2kq2 h ILE 109 Ca 0.00 -3.09 -0.46 0.00 1.00 0.00 0.00 64.86 62.32 2kq2 h ILE 109 Cb 0.00 2.70 -0.17 0.00 -0.74 0.00 0.00 36.82 38.61 2kq2 h ILE 109 CO 0.00 0.86 -0.76 -0.72 0.00 0.00 0.00 178.15 177.53 2kq2 s TYR 110 N -2.86 1.63 0.61 1.37 1.13 -1.26 -3.20 117.35 114.77 2kq2 s TYR 110 Ca 0.01 -0.54 -0.15 0.00 -1.41 0.00 0.00 57.07 54.98 2kq2 s TYR 110 Cb 0.10 -0.81 -0.03 0.00 -1.10 0.00 0.00 41.96 40.13 2kq2 s TYR 110 CO 0.80 0.27 1.06 0.45 -2.51 0.00 0.00 175.55 175.62 2kq2 s SER 111 N -2.80 5.68 0.10 -0.18 0.15 -1.26 -4.87 113.70 110.52 2kq2 s SER 111 Ca 0.15 1.79 0.02 0.00 0.70 0.00 0.00 55.95 58.62 2kq2 s SER 111 Cb -0.04 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2kq2 s SER 111 CO 0.05 -1.24 0.16 -0.36 1.20 0.00 0.00 173.24 173.06 2kq2 s PHE 112 N -2.56 3.32 -0.62 3.44 0.08 -1.26 -5.00 117.98 115.39 2kq2 s PHE 112 Ca 0.63 0.11 -0.18 0.00 0.12 0.00 0.00 56.93 57.61 2kq2 s PHE 112 Cb -0.16 -1.65 0.12 0.00 -0.57 0.00 0.00 43.02 40.77 2kq2 s PHE 112 CO 0.40 0.54 0.69 -1.83 -0.10 0.00 0.00 175.22 174.92 2kq2 s GLU 113 N -2.70 3.12 0.02 0.44 -1.05 -1.26 -4.81 118.70 112.46 2kq2 s GLU 113 Ca 0.32 -1.56 0.04 0.00 -0.15 0.00 0.00 54.97 53.62 2kq2 s GLU 113 Cb -0.12 -4.33 -0.02 0.00 -0.44 0.00 0.00 34.13 29.23 2kq2 s GLU 113 CO 0.25 -1.48 -0.12 0.21 0.95 0.00 0.00 175.26 175.07 2kq2 s LYS 114 N 2.18 0.84 -0.25 -4.83 2.47 -1.26 -5.02 119.74 113.86 2kq2 s LYS 114 Ca 0.11 -0.59 -0.15 0.00 -1.56 0.00 0.00 55.97 53.78 2kq2 s LYS 114 Cb -0.23 -0.80 -0.04 0.00 -1.46 0.00 0.00 37.83 35.30 2kq2 s LYS 114 CO 0.03 0.20 0.36 0.08 0.16 0.00 0.00 175.35 176.18 2kq2 s VAL 115 N -0.66 5.20 0.26 4.02 1.01 -1.26 -1.78 120.40 127.19 2kq2 s VAL 115 Ca 0.01 0.56 -0.07 0.00 0.00 0.00 0.00 61.98 62.48 2kq2 s VAL 115 Cb -0.06 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 2kq2 s VAL 115 CO 0.00 0.19 0.38 -0.54 0.00 0.00 0.00 175.10 175.14 2kq2 s LYS 116 N 1.83 1.55 -0.27 2.72 -0.14 -1.26 -4.79 119.74 119.37 2kq2 s LYS 116 Ca 0.15 -1.49 0.22 0.00 -1.36 0.00 0.00 55.97 53.50 2kq2 s LYS 116 Cb -0.15 0.41 0.50 0.00 -1.68 0.00 0.00 37.83 36.91 2kq2 s LYS 116 CO 0.09 -0.61 1.11 0.00 -0.76 0.00 0.00 175.35 175.18 2kq2 n ALA 117 N -0.40 2.64 -1.16 5.17 0.00 -1.26 -3.50 120.51 121.99 2kq2 n ALA 117 Ca 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.70 2kq2 n ALA 117 Cb 0.63 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.58 0.00 0.31 0.00 1.44 -1.26 -4.80 115.22 110.33 2kq2 n HIS 118 Ca 0.07 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.83 2kq2 n HIS 118 Cb 0.80 0.02 0.07 0.00 0.12 0.00 0.00 29.99 31.00 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 0.00 2.18 -4.54 4.39 7.64 -1.26 -4.89 113.62 117.13 2kq2 n SER 119 Ca 0.00 -1.60 -0.41 0.00 1.01 0.00 0.00 58.87 57.87 2kq2 n SER 119 Cb 0.37 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 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 -0.95 1.32 1.22 0.23 0.00 -1.26 -4.79 107.32 103.09 2kq2 s GLY 120 Ca 0.16 -2.27 -0.17 0.00 0.00 0.00 0.00 44.72 42.44 2kq2 s GLY 120 CO 0.14 2.60 1.03 -1.31 0.00 0.00 0.00 173.10 175.56 2kq2 s ASN 121 N 4.73 0.67 0.19 1.64 -0.87 -1.26 -4.19 114.94 115.84 2kq2 s ASN 121 Ca 0.43 1.06 -0.20 0.00 -1.57 0.00 0.00 52.86 52.59 2kq2 s ASN 121 Cb -0.01 -1.60 0.14 0.00 -0.02 0.00 0.00 41.25 39.76 2kq2 s ASN 121 CO -0.08 -4.33 1.59 -0.33 -2.57 0.00 0.00 177.10 171.37 2kq2 h GLU 122 N -2.72 -0.13 0.00 -0.60 4.39 -1.99 0.49 114.58 114.02 2kq2 h GLU 122 Ca -0.52 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.07 2kq2 h GLU 122 Cb 1.33 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.99 2kq2 h GLU 122 CO 0.43 -0.09 -0.56 0.74 -1.16 0.00 0.00 179.01 178.37 2kq2 h PHE 123 N -0.14 0.00 0.02 4.33 0.04 -1.97 -3.04 116.94 116.18 2kq2 h PHE 123 Ca 0.25 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.81 2kq2 h PHE 123 Cb 0.55 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.72 2kq2 h PHE 123 CO -0.65 0.56 -0.85 -0.97 -0.60 0.00 0.00 178.31 175.81 2kq2 h ASN 124 N 0.00 0.71 0.38 2.17 -1.24 -1.23 -3.18 115.58 113.19 2kq2 h ASN 124 Ca -0.01 -0.77 -0.06 0.00 0.71 0.00 0.00 56.30 56.18 2kq2 h ASN 124 Cb 1.25 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 40.08 2kq2 h ASN 124 CO 0.07 1.39 -0.27 -0.78 -1.29 0.00 0.00 177.43 176.55 2kq2 h ASP 125 N 0.10 0.00 0.01 1.15 3.58 -0.20 -2.12 116.42 118.94 2kq2 h ASP 125 Ca -0.11 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 2kq2 h ASP 125 Cb 1.54 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.58 2kq2 h ASP 125 CO 0.17 0.27 -0.12 0.22 -2.88 0.00 0.00 179.24 176.89 2kq2 h TYR 126 N 0.00 0.26 -0.39 0.28 3.20 -1.51 -0.84 116.97 117.97 2kq2 h TYR 126 Ca -0.00 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 2kq2 h TYR 126 Cb 0.53 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2kq2 h TYR 126 CO 0.00 0.38 0.04 0.28 -1.64 0.00 0.00 178.16 177.22 2kq2 h VAL 127 N 0.24 1.25 -0.06 1.81 2.07 -1.39 -2.42 116.25 117.75 2kq2 h VAL 127 Ca 0.05 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 2kq2 h VAL 127 Cb 0.37 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2kq2 h VAL 127 CO 0.02 0.31 -0.13 -0.78 0.02 0.00 0.00 177.57 177.01 2kq2 h ASP 128 N 0.49 0.08 -0.99 0.57 1.82 -1.39 -0.67 116.42 116.34 2kq2 h ASP 128 Ca 0.12 -0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.78 2kq2 h ASP 128 Cb 0.40 -0.02 -0.06 0.00 0.68 0.00 0.00 39.33 40.33 2kq2 h ASP 128 CO 0.01 0.22 0.65 -0.03 -1.61 0.00 0.00 179.24 178.48 2kq2 h MET 129 N 0.08 1.23 0.12 0.28 4.05 -0.67 0.10 114.93 120.12 2kq2 h MET 129 Ca 0.02 -0.07 -0.28 0.00 -0.28 0.00 0.00 59.70 59.08 2kq2 h MET 129 Cb 0.28 -0.28 0.02 0.00 -0.80 0.00 0.00 31.60 30.82 2kq2 h MET 129 CO 0.02 0.81 -1.22 -0.22 0.23 0.00 0.00 176.91 176.52 2kq2 h LYS 130 N 1.26 0.42 0.16 0.39 3.11 -1.19 -3.30 116.57 117.41 2kq2 h LYS 130 Ca 0.39 -0.61 -0.01 0.00 -2.81 0.00 0.00 60.65 57.61 2kq2 h LYS 130 Cb -0.01 0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 2kq2 h LYS 130 CO -0.12 1.27 -0.07 0.00 -2.81 0.00 0.00 179.45 177.71 2kq2 h ALA 131 N 0.48 -0.21 -0.05 5.00 0.00 -0.35 -1.95 119.26 122.18 2kq2 h ALA 131 Ca -0.16 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2kq2 h ALA 131 Cb 1.92 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 2kq2 h ALA 131 CO 0.22 -0.49 -0.28 0.87 0.00 0.00 0.00 179.25 179.57 2kq2 h LYS 132 N -0.47 0.10 0.00 0.00 1.57 -1.00 -1.73 116.57 115.03 2kq2 h LYS 132 Ca -0.02 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 2kq2 h LYS 132 Cb 0.37 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2kq2 h LYS 132 CO 0.04 0.37 -0.51 0.77 -0.57 0.00 0.00 179.45 179.55 2kq2 h SER 133 N 0.09 0.00 0.73 0.86 0.02 -1.56 -1.09 113.55 112.60 2kq2 h SER 133 Ca 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2kq2 h SER 133 Cb 0.55 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 2kq2 h SER 133 CO 0.04 0.51 -0.03 0.00 -1.14 0.00 0.00 176.83 176.21 2kq2 h ALA 134 N 1.49 1.03 -0.00 3.77 0.00 -0.50 -0.65 119.26 124.38 2kq2 h ALA 134 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kq2 h ALA 134 Cb 0.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2kq2 h ALA 134 CO 0.07 0.04 -0.30 1.28 0.00 0.00 0.00 179.25 180.34 2kq2 n LEU 135 N -3.16 0.66 0.00 0.00 4.77 -0.76 -4.88 117.00 113.63 2kq2 n LEU 135 Ca -0.00 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2kq2 n LEU 135 Cb 0.26 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2kq2 n LEU 135 CO 0.26 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2kq2 n GLY 136 N 1.40 0.88 3.82 -0.72 0.00 -0.25 -5.08 105.19 105.23 2kq2 n GLY 136 Ca 0.10 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 5.15 0.28 -0.61 1.01 -0.49 -4.98 121.20 119.56 2kq2 s ILE 137 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.72 2kq2 s ILE 137 Cb 0.00 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.25 2kq2 s ILE 137 CO 0.00 0.61 0.00 -2.11 0.00 0.00 0.00 174.94 173.44 2kq2 n ARG 138 N 2.04 -2.32 -1.35 2.79 1.85 -1.26 -3.43 116.66 114.98 2kq2 n ARG 138 Ca -0.20 1.75 0.16 0.00 -1.00 0.00 0.00 57.85 58.56 2kq2 n ARG 138 Cb 0.55 -2.02 -0.06 0.00 -1.05 0.00 0.00 32.46 29.87 2kq2 n ARG 138 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2kq2 n ASP 139 N -1.27 -7.56 -0.04 2.89 2.03 -1.26 -4.80 116.55 106.54 2kq2 n ASP 139 Ca 0.00 0.98 -0.18 0.00 0.52 0.00 0.00 54.79 56.11 2kq2 n ASP 139 Cb 0.07 -4.39 -0.13 0.00 -0.72 0.00 0.00 41.12 35.95 2kq2 n ASP 139 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2kq2 h LEU 140 N -1.37 0.15 0.00 -2.67 3.38 -1.96 -3.46 115.31 109.37 2kq2 h LEU 140 Ca -0.09 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.03 2kq2 h LEU 140 Cb 1.32 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2kq2 h LEU 140 CO 0.05 1.30 0.00 -1.84 0.09 0.00 0.00 178.44 178.04 2kq2 n GLU 141 N -4.36 0.00 -4.05 1.13 0.28 -1.26 -5.08 120.64 107.30 2kq2 n GLU 141 Ca -0.19 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.53 2kq2 n GLU 141 Cb 0.67 -0.50 -0.17 0.00 1.43 0.00 0.00 31.44 32.87 2kq2 n GLU 141 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2kq2 s HIS 142 N -1.00 1.77 -0.95 -1.84 3.76 -1.26 -5.02 115.29 110.74 2kq2 s HIS 142 Ca 0.00 -0.91 -0.07 0.00 -0.15 0.00 0.00 55.06 53.94 2kq2 s HIS 142 Cb 0.00 -1.36 -0.06 0.00 1.11 0.00 0.00 32.58 32.27 2kq2 s HIS 142 CO 0.00 -0.55 2.15 -2.39 -0.85 0.00 0.00 174.74 173.10 2kq2 n HIS 143 N 4.72 1.45 -1.14 1.40 1.44 -1.26 -2.78 115.22 119.05 2kq2 n HIS 143 Ca -0.15 -2.02 0.00 0.00 -2.01 0.00 0.00 57.72 53.53 2kq2 n HIS 143 Cb 0.50 -1.72 0.00 0.00 0.12 0.00 0.00 29.99 28.89 2kq2 n HIS 143 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kq2 n HIS 144 N 4.30 0.00 -4.00 -1.40 -0.00 -1.26 -4.94 115.22 107.92 2kq2 n HIS 144 Ca 0.47 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.93 2kq2 n HIS 144 Cb 0.15 0.01 -0.04 0.00 -0.00 0.00 0.00 29.99 30.11 2kq2 n HIS 144 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kq2 s HIS 145 N 0.00 2.07 -0.38 1.57 4.02 -1.12 -5.11 115.29 116.34 2kq2 s HIS 145 Ca 0.00 -0.74 0.03 0.00 1.02 0.00 0.00 55.06 55.37 2kq2 s HIS 145 Cb 0.00 -1.93 0.16 0.00 -1.02 0.00 0.00 32.58 29.79 2kq2 s HIS 145 CO 0.00 -0.17 0.37 -1.58 1.02 0.00 0.00 174.74 174.38 2kq2 s HIS 146 N -2.70 -0.11 0.00 1.40 2.46 -1.26 -4.90 115.29 110.19 2kq2 s HIS 146 Ca 0.35 -1.05 0.00 0.00 0.47 0.00 0.00 55.06 54.83 2kq2 s HIS 146 Cb -0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 32.58 31.97 2kq2 s HIS 146 CO 0.21 -0.96 0.00 0.72 -2.47 0.00 0.00 174.74 172.24