#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw4 n ASP 2 N 0.00 -7.41 -1.15 7.83 2.03 -1.26 -4.28 116.55 112.32 2kw4 n ASP 2 Ca 0.00 0.52 0.00 0.00 0.52 0.00 0.00 54.79 55.83 2kw4 n ASP 2 Cb 0.00 -3.79 0.00 0.00 -0.72 0.00 0.00 41.12 36.61 2kw4 n ASP 2 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2kw4 n ASP 3 N -3.82 0.48 -1.16 1.67 5.75 -1.26 -0.13 116.55 118.08 2kw4 n ASP 3 Ca 0.01 -0.93 -0.04 0.00 -0.01 0.00 0.00 54.79 53.82 2kw4 n ASP 3 Cb 0.57 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.64 2kw4 n ASP 3 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2kw4 n ARG 4 N 0.00 0.20 -1.27 0.11 1.85 -1.26 -4.76 116.66 111.53 2kw4 n ARG 4 Ca 0.00 -0.76 -0.36 0.00 -1.00 0.00 0.00 57.85 55.72 2kw4 n ARG 4 Cb 0.00 0.46 0.06 0.00 -1.05 0.00 0.00 32.46 31.94 2kw4 n ARG 4 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2kw4 n THR 5 N -0.23 1.67 0.00 8.89 -2.24 -1.26 -4.93 114.28 116.19 2kw4 n THR 5 Ca -0.19 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2kw4 n THR 5 Cb 0.62 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 2kw4 n THR 5 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2kw4 n GLU 6 N -0.47 0.00 0.00 -0.78 4.07 -1.26 -4.96 120.64 117.24 2kw4 n GLU 6 Ca 0.10 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 57.64 2kw4 n GLU 6 Cb 0.50 -1.23 0.00 0.00 -0.06 0.00 0.00 31.44 30.65 2kw4 n GLU 6 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2kw4 n TYR 7 N -1.49 -1.10 -3.22 4.31 4.01 -1.26 -5.06 117.16 113.35 2kw4 n TYR 7 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 2kw4 n TYR 7 Cb 0.00 0.25 -0.04 0.00 -0.31 0.00 0.00 39.34 39.24 2kw4 n TYR 7 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2kw4 s ASP 8 N 0.22 6.54 0.11 7.72 2.15 -1.26 -3.52 116.67 128.64 2kw4 s ASP 8 Ca 0.00 0.93 -0.10 0.00 0.43 0.00 0.00 52.55 53.81 2kw4 s ASP 8 Cb 0.00 -2.23 -0.06 0.00 -0.30 0.00 0.00 42.92 40.33 2kw4 s ASP 8 CO 0.00 -0.22 0.43 -0.69 -0.17 0.00 0.00 175.17 174.53 2kw4 s VAL 9 N -2.08 5.06 -1.16 1.11 1.01 -1.26 -4.59 120.40 118.49 2kw4 s VAL 9 Ca 0.48 0.44 -0.22 0.00 0.00 0.00 0.00 61.98 62.67 2kw4 s VAL 9 Cb -0.11 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 2kw4 s VAL 9 CO 0.27 0.20 1.93 0.00 0.00 0.00 0.00 175.10 177.50 2kw4 n TYR 10 N 0.64 2.72 -4.39 5.22 9.36 -1.26 -4.85 117.16 124.61 2kw4 n TYR 10 Ca -0.06 -1.53 -0.22 0.00 3.32 0.00 0.00 57.90 59.41 2kw4 n TYR 10 Cb 0.52 -2.55 -0.08 0.00 -0.63 0.00 0.00 39.34 36.60 2kw4 n TYR 10 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2kw4 s THR 11 N 10.40 0.27 -0.10 2.97 -4.23 -1.26 -3.30 115.64 120.38 2kw4 s THR 11 Ca 0.67 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.11 2kw4 s THR 11 Cb 0.01 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.45 2kw4 s THR 11 CO 0.13 0.00 0.15 0.47 -0.54 0.00 0.00 174.62 174.83 2kw4 n ASP 12 N -1.38 -2.78 0.00 3.99 8.00 -1.07 -4.86 116.55 118.45 2kw4 n ASP 12 Ca 0.01 1.21 0.00 0.00 0.71 0.00 0.00 54.79 56.72 2kw4 n ASP 12 Cb 0.64 -4.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.30 2kw4 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kw4 n GLY 13 N 1.41 0.69 1.18 0.44 0.00 -1.26 -4.66 105.19 102.98 2kw4 n GLY 13 Ca -0.25 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2kw4 n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kw4 n SER 14 N 0.00 -6.42 -3.65 1.61 2.88 -1.26 -4.59 113.62 102.19 2kw4 n SER 14 Ca 0.00 1.24 -0.02 0.00 -1.33 0.00 0.00 58.87 58.76 2kw4 n SER 14 Cb 0.00 -3.46 -0.03 0.00 -0.75 0.00 0.00 64.21 59.97 2kw4 n SER 14 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2kw4 s TYR 15 N -4.40 -0.01 -0.14 0.66 -0.85 -1.26 -4.49 117.35 106.87 2kw4 s TYR 15 Ca 0.00 0.01 -0.04 0.00 -0.52 0.00 0.00 57.07 56.52 2kw4 s TYR 15 Cb 0.00 0.50 0.06 0.00 0.38 0.00 0.00 41.96 42.90 2kw4 s TYR 15 CO 0.00 -0.01 0.12 0.54 -1.52 0.00 0.00 175.55 174.68 2kw4 s VAL 16 N -1.62 -0.17 0.00 -3.49 0.11 -1.26 -4.98 120.40 108.99 2kw4 s VAL 16 Ca 0.11 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 2kw4 s VAL 16 Cb -0.01 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 2kw4 s VAL 16 CO -0.05 -0.11 0.00 -3.20 -3.33 0.00 0.00 175.10 168.41 2kw4 n ASN 17 N 5.30 0.00 -0.61 3.54 2.85 -1.26 -2.30 115.26 122.78 2kw4 n ASN 17 Ca -0.06 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.39 2kw4 n ASN 17 Cb 0.49 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.49 2kw4 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kw4 n GLY 18 N 0.00 0.18 2.23 8.20 0.00 -1.26 -5.15 105.19 109.38 2kw4 n GLY 18 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2kw4 n GLY 18 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kw4 n GLN 19 N 0.00 0.87 -4.58 1.61 7.27 -0.97 -4.89 117.38 116.69 2kw4 n GLN 19 Ca -0.10 -1.87 -0.23 0.00 0.07 0.00 0.00 57.00 54.87 2kw4 n GLN 19 Cb 0.42 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.91 2kw4 n GLN 19 CO 0.00 0.00 0.00 1.52 0.07 0.00 0.00 177.06 178.65 2kw4 s TYR 20 N -1.27 1.28 0.19 3.69 1.13 -1.26 -4.32 117.35 116.79 2kw4 s TYR 20 Ca 0.28 -0.34 -0.02 0.00 -1.41 0.00 0.00 57.07 55.58 2kw4 s TYR 20 Cb -0.02 -0.88 -0.04 0.00 -1.10 0.00 0.00 41.96 39.92 2kw4 s TYR 20 CO 0.18 -0.13 0.15 0.00 -2.51 0.00 0.00 175.55 173.24 2kw4 s ALA 21 N 0.13 0.99 -0.03 9.51 0.00 -1.26 -2.32 121.76 128.77 2kw4 s ALA 21 Ca -0.03 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.35 2kw4 s ALA 21 Cb -0.10 1.29 0.02 0.00 0.00 0.00 0.00 23.12 24.33 2kw4 s ALA 21 CO 0.01 -0.60 -0.03 1.67 0.00 0.00 0.00 175.76 176.81 2kw4 s TRP 22 N -4.13 0.54 0.23 0.00 1.48 -0.83 -4.05 118.94 112.19 2kw4 s TRP 22 Ca 0.35 -0.11 0.03 0.00 -1.06 0.00 0.00 56.10 55.31 2kw4 s TRP 22 Cb 0.06 -0.53 -0.05 0.00 -1.16 0.00 0.00 33.47 31.79 2kw4 s TRP 22 CO 0.10 -0.15 0.01 0.00 -4.06 0.00 0.00 176.95 172.85 2kw4 s ALA 23 N 0.88 1.77 0.10 2.67 0.00 -1.26 -3.06 121.76 122.87 2kw4 s ALA 23 Ca -0.10 -1.77 -0.25 0.00 0.00 0.00 0.00 51.96 49.83 2kw4 s ALA 23 Cb -0.13 0.57 0.08 0.00 0.00 0.00 0.00 23.12 23.64 2kw4 s ALA 23 CO -0.01 -0.29 0.68 1.52 0.00 0.00 0.00 175.76 177.67 2kw4 s TYR 24 N -3.48 -0.50 -0.26 0.00 -0.85 -1.21 -4.23 117.35 106.83 2kw4 s TYR 24 Ca 0.29 0.35 -0.08 0.00 -0.52 0.00 0.00 57.07 57.11 2kw4 s TYR 24 Cb 0.06 0.55 -0.03 0.00 0.38 0.00 0.00 41.96 42.91 2kw4 s TYR 24 CO 0.09 -0.76 0.10 0.00 -1.52 0.00 0.00 175.55 173.47 2kw4 s ALA 25 N -3.42 3.26 -0.11 9.51 0.00 -1.25 -4.82 121.76 124.92 2kw4 s ALA 25 Ca 0.01 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 2kw4 s ALA 25 Cb -0.01 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 2kw4 s ALA 25 CO -0.11 -0.51 0.01 -0.06 0.00 0.00 0.00 175.76 175.09 2kw4 s PHE 26 N 1.65 3.17 -0.13 0.00 0.40 -1.26 -4.81 117.98 117.01 2kw4 s PHE 26 Ca 0.07 0.11 -0.07 0.00 -0.60 0.00 0.00 56.93 56.43 2kw4 s PHE 26 Cb -0.15 -1.87 0.05 0.00 0.51 0.00 0.00 43.02 41.56 2kw4 s PHE 26 CO 0.06 0.35 0.31 0.08 0.70 0.00 0.00 175.22 176.72 2kw4 s VAL 27 N -0.50 -0.03 -0.05 -0.44 1.01 -1.26 -3.47 120.40 115.66 2kw4 s VAL 27 Ca 0.09 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.22 2kw4 s VAL 27 Cb -0.12 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 2kw4 s VAL 27 CO 0.02 0.04 -0.19 -0.54 0.00 0.00 0.00 175.10 174.44 2kw4 s LYS 28 N 1.14 1.98 -0.49 2.72 -0.14 0.92 -4.66 119.74 121.21 2kw4 s LYS 28 Ca -0.08 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 53.86 2kw4 s LYS 28 Cb -0.08 -1.70 0.00 0.00 -1.68 0.00 0.00 37.83 34.37 2kw4 s LYS 28 CO -0.09 0.26 0.00 -3.47 -0.76 0.00 0.00 175.35 171.29 2kw4 n ASP 29 N 3.15 -4.94 0.00 2.83 -0.08 0.82 -1.84 116.55 116.49 2kw4 n ASP 29 Ca -0.18 0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 2kw4 n ASP 29 Cb 0.53 -2.85 0.00 0.00 2.34 0.00 0.00 41.12 41.14 2kw4 n ASP 29 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kw4 n GLY 30 N -0.58 0.79 3.28 0.27 0.00 -1.26 -4.86 105.19 102.83 2kw4 n GLY 30 Ca -0.05 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 2kw4 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kw4 s LYS 31 N -1.68 1.00 0.11 1.61 -2.85 -0.77 -4.96 119.74 112.21 2kw4 s LYS 31 Ca 0.00 -0.92 -0.34 0.00 -1.00 0.00 0.00 55.97 53.71 2kw4 s LYS 31 Cb 0.00 0.40 -0.14 0.00 -2.06 0.00 0.00 37.83 36.03 2kw4 s LYS 31 CO 0.00 -0.36 1.62 0.28 0.10 0.00 0.00 175.35 177.00 2kw4 n VAL 32 N -0.15 0.11 -0.05 1.79 0.31 -1.26 -0.05 118.33 119.02 2kw4 n VAL 32 Ca -0.14 -0.02 -0.07 0.00 -0.01 0.00 0.00 64.34 64.11 2kw4 n VAL 32 Cb 0.63 -1.57 -0.02 0.00 -0.91 0.00 0.00 33.84 31.97 2kw4 n VAL 32 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2kw4 n HIS 33 N 3.98 0.00 -3.67 3.52 -0.00 -1.23 -4.73 115.22 113.09 2kw4 n HIS 33 Ca 0.18 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.25 2kw4 n HIS 33 Cb 0.28 -0.36 -0.09 0.00 -0.12 0.00 0.00 29.99 29.71 2kw4 n HIS 33 CO 0.00 0.00 0.00 1.52 0.46 0.00 0.00 176.34 178.32 2kw4 s TYR 34 N -2.60 -0.74 -0.06 1.57 -0.85 -1.26 -5.04 117.35 108.37 2kw4 s TYR 34 Ca -0.20 1.64 0.03 0.00 -0.52 0.00 0.00 57.07 58.02 2kw4 s TYR 34 Cb 0.03 0.35 0.00 0.00 0.38 0.00 0.00 41.96 42.72 2kw4 s TYR 34 CO 0.29 -0.38 -0.15 -1.83 -1.52 0.00 0.00 175.55 171.96 2kw4 s GLU 35 N 0.98 1.82 -0.30 -3.49 -1.05 -1.26 -4.32 118.70 111.08 2kw4 s GLU 35 Ca -0.05 -0.54 -0.18 0.00 -0.15 0.00 0.00 54.97 54.05 2kw4 s GLU 35 Cb -0.05 -1.53 0.17 0.00 -0.44 0.00 0.00 34.13 32.28 2kw4 s GLU 35 CO -0.09 0.15 1.23 0.34 0.95 0.00 0.00 175.26 177.84 2kw4 s ASP 36 N 0.32 -0.05 0.97 0.83 2.15 -1.26 -5.16 116.67 114.46 2kw4 s ASP 36 Ca -0.09 0.02 -0.13 0.00 0.43 0.00 0.00 52.55 52.78 2kw4 s ASP 36 Cb -0.14 1.04 0.19 0.00 -0.30 0.00 0.00 42.92 43.71 2kw4 s ASP 36 CO 0.03 -0.01 1.14 0.00 -0.17 0.00 0.00 175.17 176.17 2kw4 n ALA 37 N 5.40 -1.18 -3.46 3.66 0.00 -1.26 -4.92 120.51 118.74 2kw4 n ALA 37 Ca -0.05 -1.55 -0.16 0.00 0.00 0.00 0.00 53.44 51.67 2kw4 n ALA 37 Cb 0.56 -0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 2kw4 n ALA 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kw4 s ASP 38 N -5.22 -0.55 0.19 0.00 1.01 -1.17 -5.07 116.67 105.86 2kw4 s ASP 38 Ca 0.66 0.68 0.09 0.00 0.71 0.00 0.00 52.55 54.69 2kw4 s ASP 38 Cb -0.02 0.63 -0.04 0.00 1.01 0.00 0.00 42.92 44.50 2kw4 s ASP 38 CO 0.46 -0.50 -0.06 -0.69 0.21 0.00 0.00 175.17 174.59 2kw4 s VAL 39 N -0.92 3.34 0.00 -1.27 1.01 -1.26 -1.96 120.40 119.34 2kw4 s VAL 39 Ca -0.09 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.24 2kw4 s VAL 39 Cb -0.02 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2kw4 s VAL 39 CO 0.07 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2kw4 n GLY 40 N -0.14 4.04 0.93 4.51 0.00 -0.98 -4.99 105.19 108.55 2kw4 n GLY 40 Ca -0.10 -2.05 -0.00 0.00 0.00 0.00 0.00 46.02 43.87 2kw4 n GLY 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kw4 n LYS 41 N -0.07 0.03 -3.16 1.61 -0.00 -1.26 -4.84 118.16 110.48 2kw4 n LYS 41 Ca 0.00 -0.07 -0.29 0.00 -0.00 0.00 0.00 58.31 57.94 2kw4 n LYS 41 Cb 0.00 0.32 -0.03 0.00 -0.00 0.00 0.00 35.03 35.32 2kw4 n LYS 41 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2kw4 s ASN 42 N -0.07 6.48 0.00 -5.58 -0.87 -1.26 -4.97 114.94 108.67 2kw4 s ASN 42 Ca 0.00 0.87 -0.24 0.00 -1.57 0.00 0.00 52.86 51.93 2kw4 s ASN 42 Cb 0.01 -2.21 -0.18 0.00 -0.02 0.00 0.00 41.25 38.85 2kw4 s ASN 42 CO -0.00 -0.27 1.30 1.55 -2.57 0.00 0.00 177.10 177.11 2kw4 h PRO 43 N 1.55 0.14 0.00 -0.60 0.13 -2.02 0.25 132.00 131.45 2kw4 h PRO 43 Ca -0.47 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 2kw4 h PRO 43 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kw4 h PRO 43 CO 0.65 0.59 -0.07 0.00 -0.23 0.00 0.00 178.00 178.94 2kw4 h ALA 44 N 0.55 1.05 0.00 -0.56 0.00 -1.99 -2.05 119.26 116.26 2kw4 h ALA 44 Ca 0.01 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 2kw4 h ALA 44 Cb 0.56 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2kw4 h ALA 44 CO 0.01 0.08 -1.68 0.00 0.00 0.00 0.00 179.25 177.67 2kw4 n ALA 45 N -2.15 2.01 -0.64 0.00 0.00 -1.18 -4.04 120.51 114.51 2kw4 n ALA 45 Ca -0.00 -0.68 0.08 0.00 0.00 0.00 0.00 53.44 52.84 2kw4 n ALA 45 Cb 0.29 -0.79 0.36 0.00 0.00 0.00 0.00 19.45 19.32 2kw4 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kw4 n ALA 46 N -2.43 3.46 0.04 0.00 0.00 0.85 -3.90 120.51 118.53 2kw4 n ALA 46 Ca -0.13 -1.66 0.01 0.00 0.00 0.00 0.00 53.44 51.66 2kw4 n ALA 46 Cb 0.85 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 2kw4 n ALA 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kw4 n THR 47 N 0.82 0.00 -0.85 0.00 5.66 -0.80 -4.64 114.28 114.47 2kw4 n THR 47 Ca 0.25 -0.32 -0.21 0.00 -3.05 0.00 0.00 64.05 60.73 2kw4 n THR 47 Cb 1.01 0.81 0.12 0.00 -1.55 0.00 0.00 70.33 70.72 2kw4 n THR 47 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2kw4 n MET 48 N -1.21 2.07 -2.17 1.09 2.81 -1.26 -4.82 117.12 113.63 2kw4 n MET 48 Ca 0.00 -2.40 -0.17 0.00 -1.81 0.00 0.00 57.70 53.32 2kw4 n MET 48 Cb 0.02 -1.94 -0.02 0.00 -0.71 0.00 0.00 33.22 30.57 2kw4 n MET 48 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2kw4 n ARG 49 N -0.66 -1.35 -1.28 0.03 1.74 -1.26 -1.44 116.66 112.44 2kw4 n ARG 49 Ca 0.47 0.89 -0.10 0.00 -0.77 0.00 0.00 57.85 58.34 2kw4 n ARG 49 Cb 1.18 -5.30 -0.04 0.00 -1.02 0.00 0.00 32.46 27.27 2kw4 n ARG 49 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2kw4 n ASN 50 N -1.20 -5.19 -0.04 0.55 3.02 -1.25 -4.86 115.26 106.29 2kw4 n ASN 50 Ca -0.20 0.24 -0.16 0.00 -0.03 0.00 0.00 54.58 54.43 2kw4 n ASN 50 Cb 0.64 -3.53 -0.08 0.00 -0.61 0.00 0.00 39.78 36.21 2kw4 n ASN 50 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2kw4 h VAL 51 N 0.00 1.34 -1.00 2.41 2.07 -1.49 -3.20 116.25 116.38 2kw4 h VAL 51 Ca -0.20 -1.77 0.19 0.00 0.82 0.00 0.00 66.70 65.74 2kw4 h VAL 51 Cb 0.97 2.06 -0.10 0.00 -1.52 0.00 0.00 31.29 32.70 2kw4 h VAL 51 CO 0.29 0.54 0.61 0.00 0.02 0.00 0.00 177.57 179.03 2kw4 h ALA 52 N 0.52 1.75 -0.66 1.67 0.00 -1.81 0.97 119.26 121.70 2kw4 h ALA 52 Ca -0.02 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.08 2kw4 h ALA 52 Cb 1.12 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2kw4 h ALA 52 CO 0.10 -0.11 0.45 0.78 0.00 0.00 0.00 179.25 180.47 2kw4 h GLY 53 N 0.72 0.58 0.92 0.00 0.00 -1.81 -0.58 103.07 102.91 2kw4 h GLY 53 Ca 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 2kw4 h GLY 53 CO -0.35 0.07 -0.22 0.83 0.00 0.00 0.00 176.54 176.87 2kw4 h GLU 54 N 0.37 -0.54 -0.07 4.80 5.08 -0.93 -2.71 114.58 120.59 2kw4 h GLU 54 Ca 0.32 0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.63 2kw4 h GLU 54 Cb 0.72 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2kw4 h GLU 54 CO -0.09 -0.36 -0.36 0.82 -1.00 0.00 0.00 179.01 178.02 2kw4 h ILE 55 N -0.56 1.28 -0.92 3.13 2.04 -1.48 -2.80 117.51 118.19 2kw4 h ILE 55 Ca -0.04 -1.33 0.24 0.00 1.00 0.00 0.00 64.86 64.72 2kw4 h ILE 55 Cb 0.46 1.63 -0.13 0.00 -0.74 0.00 0.00 36.82 38.04 2kw4 h ILE 55 CO 0.05 0.39 0.42 0.00 0.00 0.00 0.00 178.15 179.01 2kw4 h ALA 56 N 1.52 1.52 -0.53 1.87 0.00 -0.79 0.46 119.26 123.31 2kw4 h ALA 56 Ca 0.01 0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2kw4 h ALA 56 Cb 0.70 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 2kw4 h ALA 56 CO 0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 179.25 178.92 2kw4 h ALA 57 N 1.74 0.49 -0.96 0.00 0.00 -1.48 -0.27 119.26 118.78 2kw4 h ALA 57 Ca 0.59 0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.82 2kw4 h ALA 57 Cb 1.16 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 2kw4 h ALA 57 CO -0.55 -0.39 0.57 0.00 0.00 0.00 0.00 179.25 178.88 2kw4 h ALA 58 N 1.48 1.53 0.20 0.00 0.00 -1.08 0.28 119.26 121.67 2kw4 h ALA 58 Ca 0.27 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2kw4 h ALA 58 Cb 0.41 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kw4 h ALA 58 CO -0.45 0.02 -0.12 -0.07 0.00 0.00 0.00 179.25 178.63 2kw4 h LEU 59 N 0.79 -0.30 -1.76 0.00 3.38 -0.99 -1.74 115.31 114.70 2kw4 h LEU 59 Ca 0.53 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.62 2kw4 h LEU 59 Cb 0.72 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2kw4 h LEU 59 CO -0.35 -0.19 0.37 1.88 0.09 0.00 0.00 178.44 180.24 2kw4 h TYR 60 N -0.30 0.29 -0.93 1.13 0.05 -1.27 -0.64 116.97 115.29 2kw4 h TYR 60 Ca -0.03 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.78 2kw4 h TYR 60 Cb 0.24 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 37.84 2kw4 h TYR 60 CO 0.07 0.13 0.61 0.00 -1.05 0.00 0.00 178.16 177.93 2kw4 h ALA 61 N 1.73 1.35 0.00 3.88 0.00 -0.21 -2.05 119.26 123.97 2kw4 h ALA 61 Ca 0.25 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2kw4 h ALA 61 Cb 0.63 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kw4 h ALA 61 CO -0.05 0.59 -0.58 0.28 0.00 0.00 0.00 179.25 179.48 2kw4 h VAL 62 N 1.24 1.44 -0.62 0.00 2.07 -0.21 -1.75 116.25 118.42 2kw4 h VAL 62 Ca 0.35 -2.09 0.12 0.00 0.82 0.00 0.00 66.70 65.90 2kw4 h VAL 62 Cb -0.11 2.63 -0.09 0.00 -1.52 0.00 0.00 31.29 32.21 2kw4 h VAL 62 CO -0.08 0.60 0.14 0.11 0.02 0.00 0.00 177.57 178.36 2kw4 h LYS 63 N -0.14 0.26 0.00 1.57 1.57 -1.15 -0.55 116.57 118.13 2kw4 h LYS 63 Ca -0.07 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 2kw4 h LYS 63 Cb 1.30 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 2kw4 h LYS 63 CO 0.11 0.17 -0.84 0.87 -0.57 0.00 0.00 179.45 179.19 2kw4 h LYS 64 N 0.27 0.01 -0.82 3.15 1.57 -1.46 -3.20 116.57 116.08 2kw4 h LYS 64 Ca 0.33 -0.01 0.22 0.00 -1.87 0.00 0.00 60.65 59.32 2kw4 h LYS 64 Cb 0.50 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 2kw4 h LYS 64 CO -0.42 0.85 0.58 0.00 -0.57 0.00 0.00 179.45 179.89 2kw4 h ALA 65 N 1.15 2.60 0.00 3.86 0.00 -0.15 0.42 119.26 127.13 2kw4 h ALA 65 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2kw4 h ALA 65 Cb 1.49 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2kw4 h ALA 65 CO 0.11 -0.84 -0.68 1.03 0.00 0.00 0.00 179.25 178.87 2kw4 h SER 66 N 0.11 0.00 -0.05 0.00 0.87 -1.49 -2.13 113.55 110.86 2kw4 h SER 66 Ca 0.40 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.89 2kw4 h SER 66 Cb 1.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2kw4 h SER 66 CO -0.05 0.68 -0.24 1.56 -0.53 0.00 0.00 176.83 178.25 2kw4 h GLN 67 N 0.00 0.25 0.00 2.24 4.20 -0.34 -3.09 115.11 118.38 2kw4 h GLN 67 Ca -0.01 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.50 2kw4 h GLN 67 Cb 1.33 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.16 2kw4 h GLN 67 CO 0.09 0.85 0.00 1.28 -0.67 0.00 0.00 178.83 180.38 2kw4 n LEU 68 N -4.51 0.00 -0.19 1.46 4.32 -0.67 -4.86 117.00 112.56 2kw4 n LEU 68 Ca -0.08 0.26 -0.02 0.00 -0.02 0.00 0.00 56.01 56.14 2kw4 n LEU 68 Cb 0.46 -0.26 -0.01 0.00 -1.62 0.00 0.00 43.42 41.99 2kw4 n LEU 68 CO 0.40 -0.06 -0.02 0.61 -1.22 0.00 0.00 177.39 177.10 2kw4 n GLY 69 N 0.71 0.40 4.01 -0.72 0.00 -1.00 -4.89 105.19 103.70 2kw4 n GLY 69 Ca 0.12 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 2kw4 n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kw4 s VAL 70 N -1.55 2.57 0.03 1.61 -7.23 -0.84 -4.88 120.40 110.11 2kw4 s VAL 70 Ca 0.00 -0.88 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 2kw4 s VAL 70 Cb 0.00 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 2kw4 s VAL 70 CO 0.00 0.00 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.20 2kw4 s LYS 71 N -4.63 0.37 0.53 4.82 3.01 -1.26 -4.47 119.74 118.12 2kw4 s LYS 71 Ca 0.59 -0.59 0.09 0.00 -1.01 0.00 0.00 55.97 55.05 2kw4 s LYS 71 Cb -0.08 -0.08 0.09 0.00 -1.01 0.00 0.00 37.83 36.74 2kw4 s LYS 71 CO 0.37 0.00 0.74 0.44 0.51 0.00 0.00 175.35 177.41 2kw4 n ILE 72 N 1.76 0.00 -1.65 2.17 -5.35 -1.26 -4.97 119.36 110.06 2kw4 n ILE 72 Ca -0.22 -1.78 -0.49 0.00 -0.27 0.00 0.00 62.75 60.00 2kw4 n ILE 72 Cb 0.55 -0.55 -0.05 0.00 -1.74 0.00 0.00 39.64 37.85 2kw4 n ILE 72 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2kw4 n ARG 73 N -2.16 1.79 -2.44 6.28 0.00 -1.23 -4.82 116.66 114.08 2kw4 n ARG 73 Ca 0.15 0.65 -0.04 0.00 -0.00 0.00 0.00 57.85 58.60 2kw4 n ARG 73 Cb 0.55 -2.38 -0.01 0.00 0.00 0.00 0.00 32.46 30.62 2kw4 n ARG 73 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2kw4 n ILE 74 N 3.41 0.00 0.00 5.15 -5.35 -1.26 -4.33 119.36 116.98 2kw4 n ILE 74 Ca 0.19 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 2kw4 n ILE 74 Cb 0.25 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 2kw4 n ILE 74 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2kw4 n LEU 75 N 0.00 0.00 -3.08 7.28 7.99 -1.26 -3.39 117.00 124.54 2kw4 n LEU 75 Ca -0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 56.01 55.82 2kw4 n LEU 75 Cb 0.11 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.41 2kw4 n LEU 75 CO 0.06 0.00 -0.13 0.00 -1.51 0.00 0.00 177.39 175.81 2kw4 n HIS 76 N 0.00 -0.76 -0.05 -1.77 1.44 -1.26 -4.64 115.22 108.19 2kw4 n HIS 76 Ca 0.00 -3.31 -0.08 0.00 -2.01 0.00 0.00 57.72 52.32 2kw4 n HIS 76 Cb 0.00 0.08 -0.02 0.00 0.12 0.00 0.00 29.99 30.18 2kw4 n HIS 76 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 2kw4 h ASP 77 N 3.39 -0.75 -6.47 4.39 1.82 -1.84 -3.45 116.42 113.50 2kw4 h ASP 77 Ca 0.04 0.14 -0.50 0.00 -0.39 0.00 0.00 57.03 56.31 2kw4 h ASP 77 Cb 0.97 0.36 -0.09 0.00 0.68 0.00 0.00 39.33 41.24 2kw4 h ASP 77 CO 0.42 -0.27 -0.81 0.00 -1.61 0.00 0.00 179.24 176.97 2kw4 n TYR 78 N -5.37 -1.99 -2.08 0.28 4.19 -1.26 -4.87 117.16 106.06 2kw4 n TYR 78 Ca -0.01 0.84 -0.13 0.00 3.31 0.00 0.00 57.90 61.91 2kw4 n TYR 78 Cb 0.29 -3.61 0.06 0.00 0.49 0.00 0.00 39.34 36.57 2kw4 n TYR 78 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2kw4 n ALA 79 N -4.51 4.25 0.00 2.98 0.00 -1.26 -4.84 120.51 117.14 2kw4 n ALA 79 Ca -0.02 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.95 2kw4 n ALA 79 Cb 0.55 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2kw4 n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kw4 n GLY 80 N -0.71 2.08 0.32 0.00 0.00 -1.23 -4.37 105.19 101.28 2kw4 n GLY 80 Ca 0.32 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.84 2kw4 n GLY 80 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kw4 h ILE 81 N 0.00 0.72 0.00 -0.61 5.03 -1.94 0.26 117.51 120.97 2kw4 h ILE 81 Ca 0.00 -0.23 -0.05 0.00 -0.12 0.00 0.00 64.86 64.46 2kw4 h ILE 81 Cb 0.00 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 33.78 2kw4 h ILE 81 CO 0.00 0.12 -0.24 0.00 -0.68 0.00 0.00 178.15 177.36 2kw4 h ALA 82 N 1.58 0.94 0.05 1.87 0.00 -1.92 -2.62 119.26 119.17 2kw4 h ALA 82 Ca 0.49 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.22 2kw4 h ALA 82 Cb 0.71 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2kw4 h ALA 82 CO -0.37 0.29 -0.31 0.35 0.00 0.00 0.00 179.25 179.21 2kw4 h PHE 83 N 0.00 -0.86 0.00 0.00 3.04 -0.80 -2.24 116.94 116.08 2kw4 h PHE 83 Ca -0.00 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.84 2kw4 h PHE 83 Cb 0.89 0.37 -0.02 0.00 2.56 0.00 0.00 35.95 39.76 2kw4 h PHE 83 CO 0.00 -0.41 -0.69 0.11 -2.02 0.00 0.00 178.31 175.29 2kw4 h TRP 84 N -0.50 0.00 0.00 0.41 0.09 -1.61 -3.22 115.95 111.12 2kw4 h TRP 84 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.03 2kw4 h TRP 84 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.80 2kw4 h TRP 84 CO -0.31 0.60 0.00 0.00 0.09 0.00 0.00 178.44 178.82 2kw4 h ALA 85 N 1.40 1.00 0.00 0.11 0.00 -1.06 -0.81 119.26 119.91 2kw4 h ALA 85 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kw4 h ALA 85 Cb 1.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 2kw4 h ALA 85 CO 0.07 0.00 -0.01 1.79 0.00 0.00 0.00 179.25 181.11 2kw4 h THR 86 N 0.00 0.04 0.00 0.00 1.35 -1.43 -3.35 112.91 109.52 2kw4 h THR 86 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2kw4 h THR 86 Cb 0.01 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 2kw4 h THR 86 CO 0.00 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 2kw4 n GLY 87 N -0.54 0.72 0.14 5.82 0.00 -0.32 -5.06 105.19 105.94 2kw4 n GLY 87 Ca -0.01 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 2kw4 n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kw4 n GLU 88 N 0.00 0.60 -4.29 1.61 -0.58 -1.15 -5.03 120.64 111.79 2kw4 n GLU 88 Ca 0.00 0.25 -0.17 0.00 -0.42 0.00 0.00 57.16 56.82 2kw4 n GLU 88 Cb 0.00 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.27 2kw4 n GLU 88 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2kw4 s TRP 89 N -2.51 1.52 0.70 -0.32 -0.00 -1.08 -5.04 118.94 112.21 2kw4 s TRP 89 Ca -0.38 -0.61 -0.15 0.00 -0.00 0.00 0.00 56.10 54.96 2kw4 s TRP 89 Cb 0.14 -0.75 0.02 0.00 -0.00 0.00 0.00 33.47 32.89 2kw4 s TRP 89 CO 0.50 0.23 1.15 0.15 -0.00 0.00 0.00 176.95 178.99 2kw4 s LYS 90 N -3.38 2.47 0.45 5.86 3.01 -1.26 -4.08 119.74 122.81 2kw4 s LYS 90 Ca 0.17 1.56 0.31 0.00 -1.01 0.00 0.00 55.97 57.00 2kw4 s LYS 90 Cb -0.01 -1.89 1.61 0.00 -1.01 0.00 0.00 37.83 36.52 2kw4 s LYS 90 CO 0.04 -1.54 1.94 0.00 0.51 0.00 0.00 175.35 176.30 2kw4 h ALA 91 N -0.15 1.00 -0.95 5.17 0.00 -1.86 -2.58 119.26 119.89 2kw4 h ALA 91 Ca -0.47 0.00 0.26 0.00 0.00 0.00 0.00 54.91 54.70 2kw4 h ALA 91 Cb 1.27 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 2kw4 h ALA 91 CO 0.52 0.00 0.67 -0.22 0.00 0.00 0.00 179.25 180.22 2kw4 h LYS 92 N 0.00 0.08 -6.24 0.00 3.64 -1.93 -3.39 116.57 108.72 2kw4 h LYS 92 Ca 0.00 -0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 2kw4 h LYS 92 Cb 0.08 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2kw4 h LYS 92 CO 0.00 0.05 1.23 1.21 -2.27 0.00 0.00 179.45 179.68 2kw4 s ASN 93 N -5.54 6.12 1.04 4.20 3.04 -0.97 -4.99 114.94 117.84 2kw4 s ASN 93 Ca -0.06 1.70 -0.04 0.00 0.04 0.00 0.00 52.86 54.50 2kw4 s ASN 93 Cb 0.22 -2.53 0.06 0.00 -1.54 0.00 0.00 41.25 37.46 2kw4 s ASN 93 CO 0.78 -1.46 0.24 -0.62 -3.04 0.00 0.00 177.10 173.01 2kw4 n GLU 94 N 8.01 -1.09 0.00 0.43 1.02 -1.26 -3.49 120.64 124.26 2kw4 n GLU 94 Ca 0.22 -0.38 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2kw4 n GLU 94 Cb 0.45 -0.32 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 2kw4 n GLU 94 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2kw4 n PHE 95 N -2.81 0.00 -0.14 -0.32 3.72 -1.26 -4.02 117.46 112.63 2kw4 n PHE 95 Ca 0.03 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.34 2kw4 n PHE 95 Cb 0.12 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.66 2kw4 n PHE 95 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 2kw4 h THR 96 N 0.00 1.21 -0.90 4.37 2.02 -1.88 -2.83 112.91 114.89 2kw4 h THR 96 Ca 0.00 -0.65 0.19 0.00 0.77 0.00 0.00 66.41 66.72 2kw4 h THR 96 Cb 0.00 0.84 -0.11 0.00 -1.74 0.00 0.00 68.15 67.14 2kw4 h THR 96 CO 0.00 0.24 0.45 -0.61 0.37 0.00 0.00 175.52 175.96 2kw4 h GLN 97 N 0.54 0.53 -1.11 6.66 4.15 -1.59 0.13 115.11 124.41 2kw4 h GLN 97 Ca 0.14 -0.03 0.31 0.00 0.77 0.00 0.00 58.65 59.84 2kw4 h GLN 97 Cb 0.21 -0.12 -0.10 0.00 0.21 0.00 0.00 27.48 27.69 2kw4 h GLN 97 CO -0.01 0.35 0.72 0.00 -1.93 0.00 0.00 178.83 177.96 2kw4 h ALA 98 N 1.64 2.40 0.00 3.38 0.00 -1.81 -0.26 119.26 124.62 2kw4 h ALA 98 Ca 0.53 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.54 2kw4 h ALA 98 Cb 0.89 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2kw4 h ALA 98 CO -0.44 -0.86 -0.25 -0.92 0.00 0.00 0.00 179.25 176.78 2kw4 h TYR 99 N 0.30 -0.68 -0.39 0.00 3.20 -0.86 0.22 116.97 118.76 2kw4 h TYR 99 Ca 0.65 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.65 2kw4 h TYR 99 Cb 1.80 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 40.36 2kw4 h TYR 99 CO -0.00 -0.34 0.30 0.00 -1.64 0.00 0.00 178.16 176.48 2kw4 h ALA 100 N 0.44 2.30 -0.00 1.82 0.00 -1.16 -1.59 119.26 121.07 2kw4 h ALA 100 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kw4 h ALA 100 Cb 0.47 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kw4 h ALA 100 CO -0.22 -0.51 -0.00 0.87 0.00 0.00 0.00 179.25 179.39 2kw4 h LYS 101 N 0.00 0.00 0.00 0.00 1.79 -0.94 -3.16 116.57 114.26 2kw4 h LYS 101 Ca 0.19 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2kw4 h LYS 101 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 2kw4 h LYS 101 CO -0.00 0.72 0.00 -0.07 -1.08 0.00 0.00 179.45 179.02 2kw4 h LEU 102 N -0.71 0.00 0.23 2.94 3.38 -0.26 -3.10 115.31 117.79 2kw4 h LEU 102 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kw4 h LEU 102 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2kw4 h LEU 102 CO 0.00 0.00 -0.19 -0.03 0.09 0.00 0.00 178.44 178.31 2kw4 h MET 103 N 0.00 -0.39 -0.66 1.13 4.05 -1.28 -2.50 114.93 115.28 2kw4 h MET 103 Ca 0.00 0.03 0.15 0.00 -0.28 0.00 0.00 59.70 59.60 2kw4 h MET 103 Cb 0.07 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 30.93 2kw4 h MET 103 CO 0.00 -0.26 0.45 -0.97 0.23 0.00 0.00 176.91 176.36 2kw4 h ASN 104 N -0.41 0.22 -0.55 1.39 -1.24 -1.68 0.46 115.58 113.77 2kw4 h ASN 104 Ca -0.03 0.01 0.11 0.00 0.71 0.00 0.00 56.30 57.10 2kw4 h ASN 104 Cb 0.34 -0.03 -0.10 0.00 0.73 0.00 0.00 38.32 39.27 2kw4 h ASN 104 CO 0.00 0.11 -0.05 -0.61 -1.29 0.00 0.00 177.43 175.59 2kw4 h GLN 105 N 0.23 0.07 -0.13 6.67 -0.00 -1.47 -2.79 115.11 117.69 2kw4 h GLN 105 Ca 0.32 -0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.85 2kw4 h GLN 105 Cb 0.93 -0.02 -0.14 0.00 0.00 0.00 0.00 27.48 28.25 2kw4 h GLN 105 CO -0.06 0.05 -0.66 2.48 0.00 0.00 0.00 178.83 180.63 2kw4 n TYR 106 N -5.30 0.45 -2.43 3.99 0.18 -0.65 -5.06 117.16 108.34 2kw4 n TYR 106 Ca 0.06 -1.46 -0.41 0.00 1.88 0.00 0.00 57.90 57.97 2kw4 n TYR 106 Cb 0.30 -0.25 -0.03 0.00 -0.38 0.00 0.00 39.34 38.98 2kw4 n TYR 106 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 2kw4 s ARG 107 N -2.78 4.49 0.00 -3.48 3.00 0.15 -4.36 118.95 115.98 2kw4 s ARG 107 Ca 0.39 1.79 0.00 0.00 -1.00 0.00 0.00 55.73 56.91 2kw4 s ARG 107 Cb 0.38 -3.29 0.00 0.00 0.00 0.00 0.00 34.95 32.04 2kw4 s ARG 107 CO -0.07 -0.11 0.00 0.41 0.00 0.00 0.00 175.30 175.53 2kw4 n GLY 108 N 2.56 0.31 0.03 8.12 0.00 -1.26 -4.98 105.19 109.97 2kw4 n GLY 108 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 2kw4 n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kw4 n ILE 109 N 0.00 0.42 -4.62 -0.61 -0.00 -1.26 -5.07 119.36 108.21 2kw4 n ILE 109 Ca 0.00 -0.22 -0.29 0.00 -0.00 0.00 0.00 62.75 62.24 2kw4 n ILE 109 Cb 0.00 -0.81 -0.08 0.00 -0.00 0.00 0.00 39.64 38.75 2kw4 n ILE 109 CO 0.00 0.00 0.00 -0.72 -0.00 0.00 0.00 176.55 175.83 2kw4 s TYR 110 N -2.15 1.83 0.01 4.28 1.13 -1.26 -4.19 117.35 117.01 2kw4 s TYR 110 Ca -0.06 -1.13 -0.28 0.00 -1.41 0.00 0.00 57.07 54.19 2kw4 s TYR 110 Cb 0.02 -1.37 0.10 0.00 -1.10 0.00 0.00 41.96 39.61 2kw4 s TYR 110 CO 0.22 -0.06 0.91 0.45 -2.51 0.00 0.00 175.55 174.56 2kw4 s SER 111 N -3.73 -0.33 0.30 -0.18 0.15 -1.26 -4.93 113.70 103.72 2kw4 s SER 111 Ca 0.16 -0.06 -0.16 0.00 0.70 0.00 0.00 55.95 56.59 2kw4 s SER 111 Cb 0.02 0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.74 2kw4 s SER 111 CO 0.10 -0.65 0.65 -0.36 1.20 0.00 0.00 173.24 174.17 2kw4 s PHE 112 N -3.12 0.12 0.14 3.44 0.08 -1.26 -4.37 117.98 113.01 2kw4 s PHE 112 Ca 0.06 -0.58 -0.02 0.00 0.12 0.00 0.00 56.93 56.51 2kw4 s PHE 112 Cb -0.01 0.53 0.04 0.00 -0.57 0.00 0.00 43.02 43.00 2kw4 s PHE 112 CO -0.07 -1.23 0.08 -1.91 -0.10 0.00 0.00 175.22 171.99 2kw4 n GLU 113 N -0.46 -2.20 -1.39 0.44 2.13 -1.26 -4.74 120.64 113.16 2kw4 n GLU 113 Ca -0.04 -0.14 -0.40 0.00 0.66 0.00 0.00 57.16 57.24 2kw4 n GLU 113 Cb 0.60 -0.18 -0.02 0.00 0.27 0.00 0.00 31.44 32.11 2kw4 n GLU 113 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2kw4 n LYS 114 N -2.32 2.41 -1.67 5.31 4.81 -1.26 -4.93 118.16 120.51 2kw4 n LYS 114 Ca 0.01 -2.19 -0.46 0.00 -0.87 0.00 0.00 58.31 54.80 2kw4 n LYS 114 Cb 0.06 -3.03 -0.04 0.00 0.02 0.00 0.00 35.03 32.03 2kw4 n LYS 114 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2kw4 n VAL 115 N 5.17 0.61 0.00 3.15 0.24 -1.26 -4.65 118.33 121.59 2kw4 n VAL 115 Ca 0.53 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.72 2kw4 n VAL 115 Cb 0.35 -2.02 0.00 0.00 -1.47 0.00 0.00 33.84 30.70 2kw4 n VAL 115 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2kw4 n LYS 116 N 6.77 0.00 -3.65 7.34 5.02 -1.26 -4.64 118.16 127.74 2kw4 n LYS 116 Ca 0.21 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.48 2kw4 n LYS 116 Cb 0.33 -0.09 -0.07 0.00 -0.02 0.00 0.00 35.03 35.18 2kw4 n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kw4 s ALA 117 N -2.77 -2.27 0.02 7.82 0.00 -1.26 -3.49 121.76 119.81 2kw4 s ALA 117 Ca 0.00 1.67 -0.28 0.00 0.00 0.00 0.00 51.96 53.35 2kw4 s ALA 117 Cb 0.00 -1.83 0.07 0.00 0.00 0.00 0.00 23.12 21.36 2kw4 s ALA 117 CO 0.00 -0.09 0.64 -1.58 0.00 0.00 0.00 175.76 174.73 2kw4 s HIS 118 N 0.05 -0.61 0.00 0.00 2.46 -1.26 -2.62 115.29 113.31 2kw4 s HIS 118 Ca 0.07 0.83 0.00 0.00 0.47 0.00 0.00 55.06 56.44 2kw4 s HIS 118 Cb -0.05 0.45 0.00 0.00 -0.13 0.00 0.00 32.58 32.85 2kw4 s HIS 118 CO -0.16 -0.69 0.70 -1.13 -2.47 0.00 0.00 174.74 170.99 2kw4 n SER 119 N 0.47 0.00 0.00 9.88 3.41 -1.26 -4.83 113.62 121.29 2kw4 n SER 119 Ca -0.18 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 2kw4 n SER 119 Cb 0.60 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2kw4 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kw4 n GLY 120 N -0.55 1.67 0.00 5.00 0.00 -1.26 -5.04 105.19 105.01 2kw4 n GLY 120 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2kw4 n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kw4 n ASN 121 N 0.00 0.00 0.00 1.61 6.94 -1.26 -4.98 115.26 117.57 2kw4 n ASN 121 Ca 0.00 -0.10 0.02 0.00 -0.02 0.00 0.00 54.58 54.48 2kw4 n ASN 121 Cb 0.00 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 37.54 2kw4 n ASN 121 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 2kw4 n GLU 122 N 0.00 0.92 -0.31 -3.83 0.28 -1.26 -3.96 120.64 112.48 2kw4 n GLU 122 Ca 0.00 0.00 0.20 0.00 -0.16 0.00 0.00 57.16 57.20 2kw4 n GLU 122 Cb 0.00 -1.07 0.46 0.00 1.43 0.00 0.00 31.44 32.27 2kw4 n GLU 122 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2kw4 h PHE 123 N 0.00 0.73 0.04 -1.84 -0.00 -1.93 0.45 116.94 114.39 2kw4 h PHE 123 Ca 0.00 0.02 -0.28 0.00 -0.00 0.00 0.00 57.97 57.72 2kw4 h PHE 123 Cb 0.00 -0.22 0.02 0.00 -0.00 0.00 0.00 35.95 35.76 2kw4 h PHE 123 CO 0.00 0.12 -1.12 -2.95 -0.00 0.00 0.00 178.31 174.36 2kw4 h ASN 124 N 0.48 0.91 -0.29 -0.68 -1.07 -1.87 -3.17 115.58 109.89 2kw4 h ASN 124 Ca 0.56 -0.76 0.08 0.00 0.07 0.00 0.00 56.30 56.26 2kw4 h ASN 124 Cb 1.29 -0.28 -0.01 0.00 -2.07 0.00 0.00 38.32 37.24 2kw4 h ASN 124 CO -0.29 1.56 0.38 0.44 0.07 0.00 0.00 177.43 179.60 2kw4 h ASP 125 N 0.36 0.00 -0.56 6.14 5.19 -1.19 -0.53 116.42 125.83 2kw4 h ASP 125 Ca -0.15 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.27 2kw4 h ASP 125 Cb 1.78 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.26 2kw4 h ASP 125 CO 0.22 0.00 0.36 0.22 -3.12 0.00 0.00 179.24 176.92 2kw4 h TYR 126 N 0.00 0.69 -0.05 4.55 5.03 -1.43 -1.15 116.97 124.61 2kw4 h TYR 126 Ca 0.14 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.48 2kw4 h TYR 126 Cb 0.91 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.95 2kw4 h TYR 126 CO 0.00 0.42 0.22 -0.39 -1.32 0.00 0.00 178.16 177.09 2kw4 h VAL 127 N 0.74 0.10 -0.24 1.81 -1.51 -1.27 -1.36 116.25 114.51 2kw4 h VAL 127 Ca 0.21 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.67 2kw4 h VAL 127 Cb -0.06 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 29.88 2kw4 h VAL 127 CO -0.06 0.00 0.12 0.44 -1.23 0.00 0.00 177.57 176.85 2kw4 h ASP 128 N 0.00 0.31 -0.10 4.19 3.32 -1.31 0.32 116.42 123.15 2kw4 h ASP 128 Ca 0.02 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.84 2kw4 h ASP 128 Cb 0.46 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2kw4 h ASP 128 CO -0.00 0.34 -0.40 -0.03 -1.72 0.00 0.00 179.24 177.43 2kw4 h MET 129 N 0.26 0.45 0.35 3.56 4.05 -1.36 -2.90 114.93 119.34 2kw4 h MET 129 Ca 0.08 -0.35 -0.02 0.00 -0.28 0.00 0.00 59.70 59.14 2kw4 h MET 129 Cb 0.10 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2kw4 h MET 129 CO -0.01 0.98 -0.17 -0.22 0.23 0.00 0.00 176.91 177.71 2kw4 h LYS 130 N 0.02 -0.46 -0.82 0.39 3.11 -1.43 -2.59 116.57 114.79 2kw4 h LYS 130 Ca -0.02 0.03 0.18 0.00 -2.81 0.00 0.00 60.65 58.03 2kw4 h LYS 130 Cb 1.04 0.10 -0.06 0.00 -1.00 0.00 0.00 32.23 32.31 2kw4 h LYS 130 CO 0.08 -0.27 0.55 0.00 -2.81 0.00 0.00 179.45 177.00 2kw4 h ALA 131 N 0.10 2.22 -0.77 5.00 0.00 -0.46 0.86 119.26 126.22 2kw4 h ALA 131 Ca -0.05 0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.08 2kw4 h ALA 131 Cb 0.40 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2kw4 h ALA 131 CO 0.08 -0.47 0.54 -0.22 0.00 0.00 0.00 179.25 179.19 2kw4 h LYS 132 N 0.36 0.08 0.15 0.00 3.64 -1.24 0.10 116.57 119.67 2kw4 h LYS 132 Ca 0.41 -0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.50 2kw4 h LYS 132 Cb 1.06 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.88 2kw4 h LYS 132 CO -0.13 0.05 -1.28 0.77 -2.27 0.00 0.00 179.45 176.59 2kw4 h SER 133 N 0.08 0.66 -0.52 4.20 0.02 -0.88 -2.92 113.55 114.18 2kw4 h SER 133 Ca 0.37 -0.66 -0.05 0.00 -0.84 0.00 0.00 61.79 60.61 2kw4 h SER 133 Cb 1.35 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 2kw4 h SER 133 CO -0.03 1.50 0.14 0.00 -1.14 0.00 0.00 176.83 177.29 2kw4 h ALA 134 N 0.41 0.68 -0.00 3.77 0.00 -0.83 -3.15 119.26 120.15 2kw4 h ALA 134 Ca -0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2kw4 h ALA 134 Cb 1.98 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 2kw4 h ALA 134 CO 0.23 0.37 0.00 1.25 0.00 0.00 0.00 179.25 181.10 2kw4 h LEU 135 N 0.72 0.00 0.00 0.00 6.46 -1.27 -3.45 115.31 117.78 2kw4 h LEU 135 Ca 0.16 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2kw4 h LEU 135 Cb 0.32 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2kw4 h LEU 135 CO -0.00 0.23 0.00 0.61 -0.62 0.00 0.00 178.44 178.66 2kw4 n GLY 136 N -0.46 1.11 3.46 3.75 0.00 -1.11 -5.13 105.19 106.81 2kw4 n GLY 136 Ca -0.08 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 2kw4 n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kw4 s ILE 137 N 0.00 2.91 1.17 -0.61 -1.09 -1.18 -5.05 121.20 117.35 2kw4 s ILE 137 Ca 0.00 -0.89 -0.17 0.00 -2.23 0.00 0.00 60.65 57.36 2kw4 s ILE 137 Cb 0.00 -2.16 0.19 0.00 -1.58 0.00 0.00 42.46 38.91 2kw4 s ILE 137 CO 0.00 0.51 0.36 -2.11 -1.23 0.00 0.00 174.94 172.48 2kw4 n ARG 138 N 2.09 -2.25 -3.65 2.79 0.00 -1.26 -4.99 116.66 109.39 2kw4 n ARG 138 Ca -0.17 -0.64 -0.02 0.00 -0.00 0.00 0.00 57.85 57.02 2kw4 n ARG 138 Cb 0.52 -1.81 -0.04 0.00 -0.00 0.00 0.00 32.46 31.13 2kw4 n ARG 138 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2kw4 s ASP 139 N -2.09 -0.03 -0.47 2.89 -1.08 -1.26 -5.11 116.67 109.53 2kw4 s ASP 139 Ca 0.58 0.03 0.06 0.00 -0.52 0.00 0.00 52.55 52.71 2kw4 s ASP 139 Cb -0.15 0.02 0.22 0.00 -1.46 0.00 0.00 42.92 41.56 2kw4 s ASP 139 CO 0.62 -0.02 0.71 0.18 0.52 0.00 0.00 175.17 177.18 2kw4 n LEU 140 N 0.58 -2.07 0.00 -1.34 4.77 -1.26 -5.13 117.00 112.55 2kw4 n LEU 140 Ca -0.00 -3.65 0.01 0.00 -0.03 0.00 0.00 56.01 52.33 2kw4 n LEU 140 Cb 0.59 0.75 0.01 0.00 -2.33 0.00 0.00 43.42 42.43 2kw4 n LEU 140 CO 0.06 1.99 0.46 -1.84 -1.33 0.00 0.00 177.39 176.73 2kw4 n GLU 141 N 2.00 0.10 -3.13 3.23 0.28 -1.26 -5.14 120.64 116.71 2kw4 n GLU 141 Ca 0.16 -0.36 0.04 0.00 -0.16 0.00 0.00 57.16 56.84 2kw4 n GLU 141 Cb 0.58 0.58 -0.00 0.00 1.43 0.00 0.00 31.44 34.03 2kw4 n GLU 141 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2kw4 s HIS 142 N -2.81 -1.29 0.00 -1.84 3.76 -1.26 -5.17 115.29 106.69 2kw4 s HIS 142 Ca 0.13 0.63 -0.30 0.00 -0.15 0.00 0.00 55.06 55.38 2kw4 s HIS 142 Cb -0.00 0.22 0.11 0.00 1.11 0.00 0.00 32.58 34.02 2kw4 s HIS 142 CO 0.00 -0.77 1.25 -3.38 -0.85 0.00 0.00 174.74 170.99 2kw4 s HIS 143 N 2.67 -0.04 -0.10 1.40 -3.43 -1.26 -5.12 115.29 109.41 2kw4 s HIS 143 Ca 0.17 -0.08 -0.07 0.00 -0.80 0.00 0.00 55.06 54.27 2kw4 s HIS 143 Cb -0.06 0.56 0.03 0.00 -1.43 0.00 0.00 32.58 31.68 2kw4 s HIS 143 CO -0.22 -0.34 0.14 1.58 -2.00 0.00 0.00 174.74 173.90 2kw4 n HIS 144 N -0.52 -4.01 -3.44 0.38 -0.00 -1.26 -5.09 115.22 101.29 2kw4 n HIS 144 Ca -0.08 2.35 0.02 0.00 -0.00 0.00 0.00 57.72 60.02 2kw4 n HIS 144 Cb 0.62 -3.60 -0.05 0.00 -0.00 0.00 0.00 29.99 26.96 2kw4 n HIS 144 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kw4 s HIS 145 N -0.55 -0.30 0.14 1.57 2.46 -1.26 -5.10 115.29 112.26 2kw4 s HIS 145 Ca -0.16 0.55 0.00 0.00 0.47 0.00 0.00 55.06 55.92 2kw4 s HIS 145 Cb 0.01 0.18 0.00 0.00 -0.13 0.00 0.00 32.58 32.64 2kw4 s HIS 145 CO 0.43 -0.15 0.00 1.58 -2.47 0.00 0.00 174.74 174.14 2kw4 n HIS 146 N 4.10 -1.18 -0.53 3.88 -0.00 -1.26 -5.33 115.22 114.89 2kw4 n HIS 146 Ca -0.12 0.21 0.00 0.00 0.46 0.00 0.00 57.72 58.27 2kw4 n HIS 146 Cb 0.55 0.49 0.00 0.00 -0.12 0.00 0.00 29.99 30.91 2kw4 n HIS 146 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52