#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw4 s ASP 2 N 0.00 -0.11 0.00 7.83 2.15 -1.26 -4.86 116.67 120.41 2kw4 s ASP 2 Ca 0.00 0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.09 2kw4 s ASP 2 Cb 0.00 0.10 0.00 0.00 -0.30 0.00 0.00 42.92 42.72 2kw4 s ASP 2 CO 0.00 -0.11 0.00 -0.90 -0.17 0.00 0.00 175.17 173.99 2kw4 n ASP 3 N 0.51 0.98 -1.28 -0.34 5.75 -1.26 -0.10 116.55 120.81 2kw4 n ASP 3 Ca -0.02 -0.87 0.04 0.00 -0.01 0.00 0.00 54.79 53.92 2kw4 n ASP 3 Cb 0.59 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.72 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 -1.62 0.11 1.85 -1.26 -4.78 116.66 111.16 2kw4 n ARG 4 Ca 0.00 -2.06 -0.38 0.00 -1.00 0.00 0.00 57.85 54.41 2kw4 n ARG 4 Cb 0.00 -0.25 0.05 0.00 -1.05 0.00 0.00 32.46 31.20 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 0.24 3.52 0.00 8.89 -2.24 -1.26 -4.97 114.28 118.46 2kw4 n THR 5 Ca 0.07 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2kw4 n THR 5 Cb 1.05 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 -0.86 0.00 0.00 -0.78 4.07 -1.26 -5.00 120.64 116.81 2kw4 n GLU 6 Ca 0.13 0.22 0.00 0.00 -0.06 0.00 0.00 57.16 57.45 2kw4 n GLU 6 Cb 0.46 -1.11 0.00 0.00 -0.06 0.00 0.00 31.44 30.73 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 -1.15 -0.20 -3.26 4.31 4.01 -1.26 -5.04 117.16 114.58 2kw4 n TYR 7 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 2kw4 n TYR 7 Cb 0.00 0.10 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 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 0.60 6.29 0.10 7.72 2.15 -1.26 -3.91 116.67 128.37 2kw4 s ASP 8 Ca 0.00 0.54 -0.12 0.00 0.43 0.00 0.00 52.55 53.40 2kw4 s ASP 8 Cb 0.00 -2.07 -0.06 0.00 -0.30 0.00 0.00 42.92 40.49 2kw4 s ASP 8 CO 0.00 -0.34 0.45 -0.69 -0.17 0.00 0.00 175.17 174.43 2kw4 s VAL 9 N -2.38 5.01 -1.16 1.11 1.01 -1.26 -4.58 120.40 118.15 2kw4 s VAL 9 Ca 0.41 0.61 -0.22 0.00 0.00 0.00 0.00 61.98 62.78 2kw4 s VAL 9 Cb -0.10 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 2kw4 s VAL 9 CO 0.37 0.29 1.92 0.00 0.00 0.00 0.00 175.10 177.69 2kw4 n TYR 10 N 0.94 2.81 -4.57 5.22 9.36 -1.26 -4.88 117.16 124.79 2kw4 n TYR 10 Ca -0.07 -1.62 -0.32 0.00 3.32 0.00 0.00 57.90 59.21 2kw4 n TYR 10 Cb 0.52 -2.54 -0.06 0.00 -0.63 0.00 0.00 39.34 36.63 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 9.87 1.27 -0.03 2.97 -4.23 -1.26 -3.71 115.64 120.53 2kw4 s THR 11 Ca 0.66 -1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 59.26 2kw4 s THR 11 Cb 0.01 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.71 2kw4 s THR 11 CO 0.13 0.00 0.05 0.47 -0.54 0.00 0.00 174.62 174.73 2kw4 n ASP 12 N -1.38 -6.25 0.00 3.99 8.00 -1.26 -4.84 116.55 114.82 2kw4 n ASP 12 Ca -0.15 1.40 0.00 0.00 0.71 0.00 0.00 54.79 56.75 2kw4 n ASP 12 Cb 0.66 -4.42 0.00 0.00 -0.02 0.00 0.00 41.12 37.34 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 1.45 -0.13 1.20 0.44 0.00 -1.26 -4.88 105.19 102.01 2kw4 n GLY 13 Ca -0.09 -1.57 0.05 0.00 0.00 0.00 0.00 46.02 44.41 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 2.71 -6.46 -3.60 1.61 2.88 -1.26 -4.23 113.62 105.27 2kw4 n SER 14 Ca 0.00 1.36 0.01 0.00 -1.33 0.00 0.00 58.87 58.90 2kw4 n SER 14 Cb 0.00 -3.82 -0.01 0.00 -0.75 0.00 0.00 64.21 59.63 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 -4.71 -0.00 -0.12 0.66 -0.85 -1.26 -3.88 117.35 107.18 2kw4 s TYR 15 Ca 0.00 0.00 -0.04 0.00 -0.52 0.00 0.00 57.07 56.51 2kw4 s TYR 15 Cb 0.00 0.50 0.05 0.00 0.38 0.00 0.00 41.96 42.89 2kw4 s TYR 15 CO 0.00 -0.01 0.11 0.54 -1.52 0.00 0.00 175.55 174.67 2kw4 s VAL 16 N -2.02 -0.16 0.00 -3.49 0.11 -1.26 -4.97 120.40 108.61 2kw4 s VAL 16 Ca 0.13 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 2kw4 s VAL 16 Cb 0.03 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 2kw4 s VAL 16 CO -0.04 -0.06 0.00 -3.20 -3.33 0.00 0.00 175.10 168.47 2kw4 n ASN 17 N 5.30 0.00 -0.59 3.54 2.85 -1.26 -2.30 115.26 122.80 2kw4 n ASN 17 Ca -0.05 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.39 2kw4 n ASN 17 Cb 0.50 0.00 -0.02 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 0.21 3.20 8.20 0.00 -1.26 -5.15 105.19 110.38 2kw4 n GLY 18 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.73 -4.26 1.61 7.27 -0.97 -4.98 117.38 116.78 2kw4 n GLN 19 Ca -0.10 -2.69 -0.34 0.00 0.07 0.00 0.00 57.00 53.94 2kw4 n GLN 19 Cb 0.41 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.96 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 -2.09 3.16 0.28 3.69 1.13 -1.26 -4.26 117.35 118.00 2kw4 s TYR 20 Ca 0.41 0.03 0.06 0.00 -1.41 0.00 0.00 57.07 56.16 2kw4 s TYR 20 Cb -0.03 -1.92 -0.06 0.00 -1.10 0.00 0.00 41.96 38.85 2kw4 s TYR 20 CO 0.26 0.25 -0.05 0.00 -2.51 0.00 0.00 175.55 173.49 2kw4 s ALA 21 N -0.18 2.32 -0.07 9.51 0.00 -1.25 -2.72 121.76 129.38 2kw4 s ALA 21 Ca 0.05 -1.90 -0.03 0.00 0.00 0.00 0.00 51.96 50.08 2kw4 s ALA 21 Cb -0.12 0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.25 2kw4 s ALA 21 CO 0.02 -0.08 0.15 1.67 0.00 0.00 0.00 175.76 177.51 2kw4 s TRP 22 N -3.04 -0.16 0.12 0.00 1.48 -0.59 -4.16 118.94 112.59 2kw4 s TRP 22 Ca 0.30 0.48 -0.03 0.00 -1.06 0.00 0.00 56.10 55.79 2kw4 s TRP 22 Cb 0.04 -0.08 -0.03 0.00 -1.16 0.00 0.00 33.47 32.24 2kw4 s TRP 22 CO 0.12 -0.16 0.09 0.00 -4.06 0.00 0.00 176.95 172.93 2kw4 s ALA 23 N 1.13 0.53 -0.27 2.67 0.00 -1.26 -2.51 121.76 122.05 2kw4 s ALA 23 Ca -0.09 -1.23 -0.24 0.00 0.00 0.00 0.00 51.96 50.40 2kw4 s ALA 23 Cb -0.11 0.70 0.09 0.00 0.00 0.00 0.00 23.12 23.80 2kw4 s ALA 23 CO -0.06 -0.49 0.80 1.52 0.00 0.00 0.00 175.76 177.53 2kw4 s TYR 24 N -3.99 -0.74 -0.50 0.00 -0.85 -1.25 -4.07 117.35 105.96 2kw4 s TYR 24 Ca 0.17 1.73 -0.21 0.00 -0.52 0.00 0.00 57.07 58.25 2kw4 s TYR 24 Cb 0.07 0.34 0.04 0.00 0.38 0.00 0.00 41.96 42.79 2kw4 s TYR 24 CO -0.02 -0.36 0.73 0.00 -1.52 0.00 0.00 175.55 174.38 2kw4 s ALA 25 N 0.53 3.30 -0.06 9.51 0.00 -1.24 -4.81 121.76 129.00 2kw4 s ALA 25 Ca -0.01 -1.41 -0.16 0.00 0.00 0.00 0.00 51.96 50.39 2kw4 s ALA 25 Cb -0.05 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2kw4 s ALA 25 CO -0.04 -2.05 0.41 -0.06 0.00 0.00 0.00 175.76 174.02 2kw4 s PHE 26 N 3.11 3.63 -0.25 0.00 0.40 -1.24 -4.71 117.98 118.91 2kw4 s PHE 26 Ca 0.22 0.91 -0.02 0.00 -0.60 0.00 0.00 56.93 57.44 2kw4 s PHE 26 Cb -0.15 -2.37 0.14 0.00 0.51 0.00 0.00 43.02 41.14 2kw4 s PHE 26 CO 0.17 0.45 0.37 0.08 0.70 0.00 0.00 175.22 176.99 2kw4 s VAL 27 N -0.38 -0.59 -0.02 -0.44 1.01 -1.26 -3.30 120.40 115.42 2kw4 s VAL 27 Ca 0.23 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.13 2kw4 s VAL 27 Cb -0.16 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2kw4 s VAL 27 CO 0.11 -0.15 -0.07 -1.59 0.00 0.00 0.00 175.10 173.40 2kw4 s LYS 28 N 2.53 2.63 0.00 2.72 -2.85 -0.62 -4.45 119.74 119.70 2kw4 s LYS 28 Ca 0.12 -0.65 0.00 0.00 -1.00 0.00 0.00 55.97 54.44 2kw4 s LYS 28 Cb -0.15 -2.54 0.00 0.00 -2.06 0.00 0.00 37.83 33.08 2kw4 s LYS 28 CO -0.18 0.63 0.00 -3.47 0.10 0.00 0.00 175.35 172.43 2kw4 n ASP 29 N 1.81 -4.14 0.00 0.03 2.03 0.86 -2.39 116.55 114.76 2kw4 n ASP 29 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2kw4 n ASP 29 Cb 0.53 -1.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.09 2kw4 n ASP 29 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kw4 n GLY 30 N -1.22 0.71 3.25 0.27 0.00 -1.26 -4.88 105.19 102.07 2kw4 n GLY 30 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.22 0.91 0.16 1.61 -2.85 -1.00 -4.99 119.74 111.35 2kw4 s LYS 31 Ca 0.00 -0.75 -0.31 0.00 -1.00 0.00 0.00 55.97 53.90 2kw4 s LYS 31 Cb 0.00 0.39 -0.10 0.00 -2.06 0.00 0.00 37.83 36.05 2kw4 s LYS 31 CO 0.00 -0.31 1.66 0.08 0.10 0.00 0.00 175.35 176.88 2kw4 s VAL 32 N -3.49 2.49 -0.16 1.79 1.01 -1.26 -1.59 120.40 119.18 2kw4 s VAL 32 Ca 0.02 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 2kw4 s VAL 32 Cb 0.02 -3.17 -0.10 0.00 0.00 0.00 0.00 36.38 33.13 2kw4 s VAL 32 CO -0.09 0.01 -0.16 1.57 0.00 0.00 0.00 175.10 176.43 2kw4 n HIS 33 N 4.44 0.00 -3.63 5.22 -0.00 -1.21 -4.87 115.22 115.18 2kw4 n HIS 33 Ca 0.15 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.30 2kw4 n HIS 33 Cb 0.38 -0.62 -0.04 0.00 -0.12 0.00 0.00 29.99 29.59 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 -2.32 -0.06 -0.30 1.57 1.13 -1.26 -5.08 117.35 111.02 2kw4 s TYR 34 Ca -0.22 0.09 -0.19 0.00 -1.41 0.00 0.00 57.07 55.34 2kw4 s TYR 34 Cb 0.06 0.50 0.18 0.00 -1.10 0.00 0.00 41.96 41.60 2kw4 s TYR 34 CO 0.36 -0.07 1.29 -1.83 -2.51 0.00 0.00 175.55 172.79 2kw4 s GLU 35 N -1.36 0.00 0.00 -3.49 -1.05 -1.26 -3.73 118.70 107.81 2kw4 s GLU 35 Ca 0.09 0.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.92 2kw4 s GLU 35 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 34.13 33.69 2kw4 s GLU 35 CO -0.06 -0.00 0.00 -0.25 0.95 0.00 0.00 175.26 175.90 2kw4 n ASP 36 N 5.15 2.37 -1.16 0.83 8.00 -1.26 -5.10 116.55 125.39 2kw4 n ASP 36 Ca -0.09 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.43 2kw4 n ASP 36 Cb 0.55 0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.68 2kw4 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kw4 n ALA 37 N -1.99 -1.78 -3.38 2.24 0.00 -1.26 -5.06 120.51 109.27 2kw4 n ALA 37 Ca 0.00 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.75 2kw4 n ALA 37 Cb 0.29 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 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 -5.05 0.32 0.47 0.00 1.11 -1.04 -5.04 116.67 107.45 2kw4 s ASP 38 Ca 0.00 -1.21 0.05 0.00 0.18 0.00 0.00 52.55 51.57 2kw4 s ASP 38 Cb 0.00 0.74 -0.03 0.00 1.07 0.00 0.00 42.92 44.70 2kw4 s ASP 38 CO 0.00 -1.45 0.09 0.68 1.18 0.00 0.00 175.17 175.67 2kw4 s VAL 39 N -2.93 1.69 0.00 -1.27 -7.23 -1.26 -1.54 120.40 107.86 2kw4 s VAL 39 Ca 0.22 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 2kw4 s VAL 39 Cb -0.03 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.35 2kw4 s VAL 39 CO 0.14 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 2kw4 n GLY 40 N -1.24 4.10 2.66 2.32 0.00 -1.10 -4.96 105.19 106.97 2kw4 n GLY 40 Ca -0.09 -2.00 -0.04 0.00 0.00 0.00 0.00 46.02 43.89 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 0.00 0.22 -4.36 1.61 0.00 -1.26 -4.93 118.16 109.44 2kw4 n LYS 41 Ca 0.00 -0.77 -0.27 0.00 -0.00 0.00 0.00 58.31 57.27 2kw4 n LYS 41 Cb 0.00 -0.11 -0.11 0.00 -0.00 0.00 0.00 35.03 34.81 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 -0.24 3.83 0.00 -5.58 -0.87 -1.26 -5.05 114.94 105.77 2kw4 s ASN 42 Ca 0.13 -0.72 -0.24 0.00 -1.57 0.00 0.00 52.86 50.46 2kw4 s ASN 42 Cb 0.20 -0.48 -0.18 0.00 -0.02 0.00 0.00 41.25 40.76 2kw4 s ASN 42 CO -0.11 0.12 1.30 1.55 -2.57 0.00 0.00 177.10 177.38 2kw4 h PRO 43 N 3.11 0.13 -0.08 -0.60 0.13 -2.02 0.28 132.00 132.94 2kw4 h PRO 43 Ca -0.47 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 64.48 2kw4 h PRO 43 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kw4 h PRO 43 CO 0.50 0.57 -0.48 0.00 -0.23 0.00 0.00 178.00 178.37 2kw4 h ALA 44 N 0.55 1.04 0.00 -0.56 0.00 -1.97 -0.79 119.26 117.53 2kw4 h ALA 44 Ca 0.01 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 2kw4 h ALA 44 Cb 0.55 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2kw4 h ALA 44 CO 0.01 0.64 -0.89 0.00 0.00 0.00 0.00 179.25 179.01 2kw4 h ALA 45 N 1.34 0.52 0.17 0.00 0.00 -1.95 -3.08 119.26 116.25 2kw4 h ALA 45 Ca 0.01 -0.81 -0.30 0.00 0.00 0.00 0.00 54.91 53.81 2kw4 h ALA 45 Cb 0.91 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.58 2kw4 h ALA 45 CO 0.07 1.11 -1.31 0.00 0.00 0.00 0.00 179.25 179.12 2kw4 h ALA 46 N 1.11 0.01 0.00 0.00 0.00 -0.78 -3.22 119.26 116.38 2kw4 h ALA 46 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2kw4 h ALA 46 Cb 1.59 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2kw4 h ALA 46 CO 0.12 0.87 0.00 -2.37 0.00 0.00 0.00 179.25 177.86 2kw4 n THR 47 N -3.61 0.80 0.63 0.00 5.66 -0.32 -2.17 114.28 115.27 2kw4 n THR 47 Ca -0.11 0.16 0.06 0.00 -3.05 0.00 0.00 64.05 61.10 2kw4 n THR 47 Cb 1.04 -1.06 0.18 0.00 -1.55 0.00 0.00 70.33 68.95 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 -2.16 2.10 0.00 1.09 2.81 -1.17 -4.95 117.12 114.85 2kw4 n MET 48 Ca 0.03 -1.45 0.00 0.00 -1.81 0.00 0.00 57.70 54.47 2kw4 n MET 48 Cb 0.25 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 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 0.59 0.00 -0.55 0.03 1.74 -0.92 -1.87 116.66 115.67 2kw4 n ARG 49 Ca 0.13 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.20 2kw4 n ARG 49 Cb 0.40 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.82 2kw4 n ARG 49 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2kw4 n ASN 50 N 2.33 -0.25 -0.02 0.55 2.85 -1.26 -4.16 115.26 115.31 2kw4 n ASN 50 Ca 0.00 -1.05 -0.16 0.00 -0.11 0.00 0.00 54.58 53.26 2kw4 n ASN 50 Cb 0.00 0.07 -0.10 0.00 1.24 0.00 0.00 39.78 41.00 2kw4 n ASN 50 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2kw4 h VAL 51 N 4.00 1.40 0.00 3.44 2.07 -1.65 -2.78 116.25 122.73 2kw4 h VAL 51 Ca -0.14 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.46 2kw4 h VAL 51 Cb 0.93 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2kw4 h VAL 51 CO -0.07 0.56 -0.03 0.00 0.02 0.00 0.00 177.57 178.06 2kw4 h ALA 52 N 0.40 0.99 0.04 1.67 0.00 -1.82 -3.23 119.26 117.31 2kw4 h ALA 52 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kw4 h ALA 52 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kw4 h ALA 52 CO 0.10 0.03 -0.02 0.78 0.00 0.00 0.00 179.25 180.14 2kw4 h GLY 53 N 3.12 -0.06 0.34 0.00 0.00 -1.84 -1.91 103.07 102.72 2kw4 h GLY 53 Ca -0.00 0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.43 2kw4 h GLY 53 CO 0.00 -0.02 0.01 1.05 0.00 0.00 0.00 176.54 177.58 2kw4 h GLU 54 N -0.83 0.12 -0.10 4.80 4.11 -1.57 -0.96 114.58 120.15 2kw4 h GLU 54 Ca -0.01 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.32 2kw4 h GLU 54 Cb 0.68 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2kw4 h GLU 54 CO 0.01 0.08 -0.36 0.82 0.07 0.00 0.00 179.01 179.63 2kw4 h ILE 55 N 0.12 1.28 -1.00 -1.06 2.04 -1.67 -2.95 117.51 114.27 2kw4 h ILE 55 Ca 0.21 -1.37 0.23 0.00 1.00 0.00 0.00 64.86 64.92 2kw4 h ILE 55 Cb 0.29 1.61 -0.10 0.00 -0.74 0.00 0.00 36.82 37.89 2kw4 h ILE 55 CO -0.34 0.41 0.63 0.00 0.00 0.00 0.00 178.15 178.85 2kw4 h ALA 56 N 1.46 1.97 -0.11 1.87 0.00 -0.32 -0.65 119.26 123.49 2kw4 h ALA 56 Ca 0.02 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2kw4 h ALA 56 Cb 0.72 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2kw4 h ALA 56 CO 0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 179.25 178.95 2kw4 h ALA 57 N 1.64 0.09 -0.76 0.00 0.00 -1.40 -1.65 119.26 117.18 2kw4 h ALA 57 Ca 0.58 0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.74 2kw4 h ALA 57 Cb 1.20 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2kw4 h ALA 57 CO -0.33 -0.46 0.56 0.00 0.00 0.00 0.00 179.25 179.02 2kw4 h ALA 58 N 1.09 2.70 0.15 0.00 0.00 -1.26 0.24 119.26 122.18 2kw4 h ALA 58 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kw4 h ALA 58 Cb 0.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kw4 h ALA 58 CO -0.09 -0.96 -0.07 -0.07 0.00 0.00 0.00 179.25 178.07 2kw4 h LEU 59 N 0.00 -0.17 -2.59 0.00 3.38 -1.19 -2.90 115.31 111.84 2kw4 h LEU 59 Ca 0.36 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.34 2kw4 h LEU 59 Cb 1.49 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 2kw4 h LEU 59 CO -0.00 -0.07 0.03 1.88 0.09 0.00 0.00 178.44 180.37 2kw4 h TYR 60 N -0.30 0.00 -0.74 1.13 0.05 -1.31 -1.46 116.97 114.34 2kw4 h TYR 60 Ca -0.02 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 2kw4 h TYR 60 Cb 0.15 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 2kw4 h TYR 60 CO 0.10 0.00 0.22 0.00 -1.05 0.00 0.00 178.16 177.44 2kw4 h ALA 61 N 1.95 0.97 0.02 3.88 0.00 -0.53 -2.52 119.26 123.04 2kw4 h ALA 61 Ca 0.01 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 2kw4 h ALA 61 Cb 0.07 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 17.59 2kw4 h ALA 61 CO -0.00 0.67 -0.77 0.28 0.00 0.00 0.00 179.25 179.43 2kw4 h VAL 62 N 1.11 1.39 -0.44 0.00 2.07 -1.06 -1.22 116.25 118.10 2kw4 h VAL 62 Ca 0.24 -2.19 0.09 0.00 0.82 0.00 0.00 66.70 65.66 2kw4 h VAL 62 Cb 0.32 2.62 -0.08 0.00 -1.52 0.00 0.00 31.29 32.62 2kw4 h VAL 62 CO -0.01 0.65 -0.11 0.11 0.02 0.00 0.00 177.57 178.23 2kw4 h LYS 63 N 0.01 0.00 0.00 1.57 1.57 -1.40 -1.27 116.57 117.05 2kw4 h LYS 63 Ca -0.10 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.49 2kw4 h LYS 63 Cb 1.47 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.76 2kw4 h LYS 63 CO 0.15 0.00 -0.89 0.87 -0.57 0.00 0.00 179.45 179.01 2kw4 h LYS 64 N 0.00 0.02 -0.75 3.15 1.57 -1.55 -3.22 116.57 115.80 2kw4 h LYS 64 Ca 0.21 -0.03 0.20 0.00 -1.87 0.00 0.00 60.65 59.16 2kw4 h LYS 64 Cb 0.32 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 2kw4 h LYS 64 CO -0.45 0.89 0.52 0.00 -0.57 0.00 0.00 179.45 179.84 2kw4 h ALA 65 N 1.10 2.50 0.00 3.86 0.00 -0.04 0.32 119.26 127.00 2kw4 h ALA 65 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2kw4 h ALA 65 Cb 1.56 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2kw4 h ALA 65 CO 0.12 -0.71 -0.65 1.03 0.00 0.00 0.00 179.25 179.03 2kw4 h SER 66 N 0.14 0.00 -0.35 0.00 0.87 -1.45 -1.50 113.55 111.27 2kw4 h SER 66 Ca 0.37 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.78 2kw4 h SER 66 Cb 1.24 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 2kw4 h SER 66 CO -0.05 0.65 -0.35 1.56 -0.53 0.00 0.00 176.83 178.11 2kw4 h GLN 67 N 0.00 0.85 0.00 2.24 4.20 -0.50 -3.02 115.11 118.87 2kw4 h GLN 67 Ca -0.01 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2kw4 h GLN 67 Cb 1.30 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.09 2kw4 h GLN 67 CO 0.08 1.09 -0.39 1.28 -0.67 0.00 0.00 178.83 180.23 2kw4 n LEU 68 N -4.14 0.53 -1.80 1.46 4.32 -0.92 -4.93 117.00 111.52 2kw4 n LEU 68 Ca -0.03 0.26 -0.20 0.00 -0.02 0.00 0.00 56.01 56.02 2kw4 n LEU 68 Cb 0.52 -0.28 -0.05 0.00 -1.62 0.00 0.00 43.42 41.98 2kw4 n LEU 68 CO 0.47 -0.01 -0.21 0.61 -1.22 0.00 0.00 177.39 177.03 2kw4 n GLY 69 N 1.41 0.98 0.10 -0.72 0.00 -0.58 -4.61 105.19 101.78 2kw4 n GLY 69 Ca 0.05 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2kw4 n GLY 69 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kw4 n VAL 70 N -3.05 1.51 -4.75 1.61 0.24 -1.13 -4.36 118.33 108.40 2kw4 n VAL 70 Ca -0.21 -0.78 0.00 0.00 -2.04 0.00 0.00 64.34 61.31 2kw4 n VAL 70 Cb 0.66 -0.90 -0.00 0.00 -1.47 0.00 0.00 33.84 32.13 2kw4 n VAL 70 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2kw4 n LYS 71 N -2.98 -0.03 -3.94 7.34 4.01 -1.18 -4.80 118.16 116.56 2kw4 n LYS 71 Ca -0.30 0.02 -0.17 0.00 -0.51 0.00 0.00 58.31 57.35 2kw4 n LYS 71 Cb 1.09 -0.04 -0.07 0.00 -0.51 0.00 0.00 35.03 35.51 2kw4 n LYS 71 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 2kw4 n ILE 72 N -1.63 0.00 -1.69 -0.18 -5.35 -1.26 -5.00 119.36 104.25 2kw4 n ILE 72 Ca 0.00 -2.10 -0.51 0.00 -0.27 0.00 0.00 62.75 59.87 2kw4 n ILE 72 Cb 0.01 1.06 -0.05 0.00 -1.74 0.00 0.00 39.64 38.92 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 -0.55 1.88 -1.62 6.28 3.00 -1.25 -4.78 116.66 119.62 2kw4 n ARG 73 Ca 0.06 0.69 -0.01 0.00 -0.00 0.00 0.00 57.85 58.59 2kw4 n ARG 73 Cb 0.53 -2.48 -0.00 0.00 0.00 0.00 0.00 32.46 30.51 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 4.82 0.00 -3.13 5.15 -6.64 -1.26 -4.16 119.36 114.14 2kw4 n ILE 74 Ca 0.23 -0.07 -0.14 0.00 -1.77 0.00 0.00 62.75 61.00 2kw4 n ILE 74 Cb 0.25 -0.44 0.06 0.00 -1.44 0.00 0.00 39.64 38.07 2kw4 n ILE 74 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 2kw4 n LEU 75 N 0.00 -3.34 -2.48 7.28 7.94 -1.26 -4.36 117.00 120.78 2kw4 n LEU 75 Ca -0.00 -0.43 -0.01 0.00 -1.11 0.00 0.00 56.01 54.45 2kw4 n LEU 75 Cb 0.02 -2.40 -0.01 0.00 0.53 0.00 0.00 43.42 41.55 2kw4 n LEU 75 CO 0.01 0.35 -0.46 1.41 -1.11 0.00 0.00 177.39 177.59 2kw4 n HIS 76 N -3.64 -3.46 -2.62 1.96 8.25 -1.25 -4.92 115.22 109.54 2kw4 n HIS 76 Ca -0.14 1.69 -0.43 0.00 -0.26 0.00 0.00 57.72 58.58 2kw4 n HIS 76 Cb 0.60 -3.58 -0.02 0.00 1.12 0.00 0.00 29.99 28.11 2kw4 n HIS 76 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kw4 s ASP 77 N -1.12 7.08 -0.89 0.41 2.15 -1.24 -4.70 116.67 118.36 2kw4 s ASP 77 Ca -0.07 1.46 -0.02 0.00 0.43 0.00 0.00 52.55 54.35 2kw4 s ASP 77 Cb 0.00 -2.54 0.34 0.00 -0.30 0.00 0.00 42.92 40.42 2kw4 s ASP 77 CO 0.66 -0.67 2.00 0.00 -0.17 0.00 0.00 175.17 176.99 2kw4 n TYR 78 N 6.24 2.91 -1.03 -5.34 0.18 -1.26 -3.67 117.16 115.18 2kw4 n TYR 78 Ca 0.12 -2.37 0.04 0.00 1.88 0.00 0.00 57.90 57.57 2kw4 n TYR 78 Cb 0.46 -1.20 0.30 0.00 -0.38 0.00 0.00 39.34 38.52 2kw4 n TYR 78 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2kw4 n ALA 79 N -0.39 3.65 0.00 -3.48 0.00 -1.26 -4.89 120.51 114.14 2kw4 n ALA 79 Ca 0.52 -2.32 0.00 0.00 0.00 0.00 0.00 53.44 51.64 2kw4 n ALA 79 Cb 0.24 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.25 3.72 0.31 0.00 0.00 -1.21 -4.16 105.19 103.60 2kw4 n GLY 80 Ca 0.28 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 0.94 0.00 -0.61 5.03 -1.83 0.19 117.51 121.22 2kw4 h ILE 81 Ca 0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 2kw4 h ILE 81 Cb 0.00 0.76 0.00 0.00 -3.03 0.00 0.00 36.82 34.55 2kw4 h ILE 81 CO 0.00 0.03 0.00 0.00 -0.68 0.00 0.00 178.15 177.50 2kw4 n ALA 82 N -2.55 2.02 0.36 1.87 0.00 -1.24 -2.93 120.51 118.04 2kw4 n ALA 82 Ca 0.03 -0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 2kw4 n ALA 82 Cb 0.25 -1.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 2kw4 n ALA 82 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2kw4 h PHE 83 N 0.00 -0.82 0.00 0.00 3.04 -0.97 -2.98 116.94 115.20 2kw4 h PHE 83 Ca 0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2kw4 h PHE 83 Cb 0.44 0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.22 2kw4 h PHE 83 CO 0.00 -0.49 -0.16 -2.67 -2.02 0.00 0.00 178.31 172.96 2kw4 n TRP 84 N -5.45 0.57 0.15 0.41 2.14 -1.24 -3.72 117.44 110.30 2kw4 n TRP 84 Ca -0.13 0.16 0.18 0.00 2.07 0.00 0.00 57.50 59.78 2kw4 n TRP 84 Cb 0.37 -0.73 0.69 0.00 -0.81 0.00 0.00 31.31 30.83 2kw4 n TRP 84 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2kw4 h ALA 85 N 2.67 1.95 -0.59 -1.67 0.00 -1.40 0.21 119.26 120.42 2kw4 h ALA 85 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2kw4 h ALA 85 Cb 0.66 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2kw4 h ALA 85 CO 0.00 -0.69 0.22 1.79 0.00 0.00 0.00 179.25 180.57 2kw4 h THR 86 N 0.00 1.22 -0.72 0.00 1.35 -1.68 -3.40 112.91 109.67 2kw4 h THR 86 Ca 0.15 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 2kw4 h THR 86 Cb 1.20 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 2kw4 h THR 86 CO -0.00 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 2kw4 n GLY 87 N -1.01 -0.85 0.09 5.82 0.00 0.74 -5.07 105.19 104.92 2kw4 n GLY 87 Ca 0.05 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 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 0.02 0.40 -4.41 1.61 1.02 -1.26 -5.05 120.64 112.96 2kw4 n GLU 88 Ca 0.00 0.16 -0.22 0.00 -0.02 0.00 0.00 57.16 57.08 2kw4 n GLU 88 Cb 0.00 -1.20 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 2kw4 n GLU 88 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2kw4 s TRP 89 N -2.46 2.06 -1.11 -0.32 -0.00 -1.26 -5.07 118.94 110.79 2kw4 s TRP 89 Ca -0.22 -0.42 -0.20 0.00 -0.00 0.00 0.00 56.10 55.25 2kw4 s TRP 89 Cb 0.03 -0.93 0.07 0.00 -0.00 0.00 0.00 33.47 32.64 2kw4 s TRP 89 CO 0.32 0.55 1.50 0.15 -0.00 0.00 0.00 176.95 179.47 2kw4 s LYS 90 N -3.40 3.74 0.00 5.86 1.02 -1.26 -4.43 119.74 121.27 2kw4 s LYS 90 Ca 0.25 -1.55 0.28 0.00 0.02 0.00 0.00 55.97 54.98 2kw4 s LYS 90 Cb -0.04 -5.35 1.64 0.00 -0.52 0.00 0.00 37.83 33.56 2kw4 s LYS 90 CO 0.11 -2.15 2.06 0.00 -0.92 0.00 0.00 175.35 174.45 2kw4 n ALA 91 N 8.29 2.66 -0.42 5.17 0.00 -0.37 -4.00 120.51 131.84 2kw4 n ALA 91 Ca 0.37 -0.20 0.36 0.00 0.00 0.00 0.00 53.44 53.96 2kw4 n ALA 91 Cb 0.49 -1.44 0.67 0.00 0.00 0.00 0.00 19.45 19.17 2kw4 n ALA 91 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2kw4 h LYS 92 N 0.20 0.12 -1.73 0.00 3.11 -1.86 0.29 116.57 116.69 2kw4 h LYS 92 Ca 0.00 -0.01 -0.46 0.00 -2.81 0.00 0.00 60.65 57.37 2kw4 h LYS 92 Cb 0.04 -0.03 -0.18 0.00 -1.00 0.00 0.00 32.23 31.07 2kw4 h LYS 92 CO 0.00 0.08 0.48 -1.71 -2.81 0.00 0.00 179.45 175.48 2kw4 n ASN 93 N -4.41 6.63 0.00 4.20 5.15 -1.26 -4.44 115.26 121.14 2kw4 n ASN 93 Ca 0.32 -3.23 0.00 0.00 -0.60 0.00 0.00 54.58 51.07 2kw4 n ASN 93 Cb 1.34 -1.14 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 2kw4 n ASN 93 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2kw4 n GLU 94 N 0.45 0.00 0.00 1.20 -0.58 0.10 -5.08 120.64 116.73 2kw4 n GLU 94 Ca 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 2kw4 n GLU 94 Cb 0.56 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.43 2kw4 n GLU 94 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2kw4 n PHE 95 N -1.50 0.00 -0.33 -0.32 -0.00 -1.24 -4.99 117.46 109.09 2kw4 n PHE 95 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.57 2kw4 n PHE 95 Cb 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 39.48 39.78 2kw4 n PHE 95 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2kw4 h THR 96 N 0.00 0.67 -1.00 -2.13 2.02 -1.91 0.52 112.91 111.08 2kw4 h THR 96 Ca 0.00 -0.23 0.21 0.00 0.77 0.00 0.00 66.41 67.16 2kw4 h THR 96 Cb 0.00 -0.06 -0.11 0.00 -1.74 0.00 0.00 68.15 66.24 2kw4 h THR 96 CO 0.00 0.12 0.60 -0.61 0.37 0.00 0.00 175.52 176.00 2kw4 h GLN 97 N 0.67 0.67 -1.03 6.66 4.15 -1.78 0.25 115.11 124.69 2kw4 h GLN 97 Ca 0.55 -0.04 0.29 0.00 0.77 0.00 0.00 58.65 60.23 2kw4 h GLN 97 Cb 0.89 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.38 2kw4 h GLN 97 CO -0.40 0.45 0.73 0.00 -1.93 0.00 0.00 178.83 177.67 2kw4 h ALA 98 N 1.68 2.85 -0.02 3.38 0.00 -1.22 -1.02 119.26 124.90 2kw4 h ALA 98 Ca 0.60 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.52 2kw4 h ALA 98 Cb 1.01 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 2kw4 h ALA 98 CO -0.42 -1.16 -0.26 -0.92 0.00 0.00 0.00 179.25 176.49 2kw4 h TYR 99 N 0.07 -0.69 -0.31 0.00 3.20 -0.62 0.15 116.97 118.77 2kw4 h TYR 99 Ca 0.51 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.49 2kw4 h TYR 99 Cb 1.89 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 40.45 2kw4 h TYR 99 CO -0.00 -0.35 0.23 0.00 -1.64 0.00 0.00 178.16 176.40 2kw4 h ALA 100 N 0.46 2.29 0.09 1.82 0.00 -1.33 -0.75 119.26 121.85 2kw4 h ALA 100 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kw4 h ALA 100 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kw4 h ALA 100 CO -0.24 -0.38 -0.05 0.87 0.00 0.00 0.00 179.25 179.45 2kw4 h LYS 101 N 0.01 -0.12 -0.07 0.00 1.79 -1.06 -3.23 116.57 113.88 2kw4 h LYS 101 Ca 0.15 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.65 2kw4 h LYS 101 Cb 0.59 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2kw4 h LYS 101 CO -0.00 0.40 0.06 -0.07 -1.08 0.00 0.00 179.45 178.76 2kw4 h LEU 102 N -0.84 0.00 0.15 2.94 3.38 -0.34 -3.00 115.31 117.60 2kw4 h LEU 102 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kw4 h LEU 102 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2kw4 h LEU 102 CO 0.02 0.00 -0.17 -0.03 0.09 0.00 0.00 178.44 178.35 2kw4 h MET 103 N 0.00 -0.32 -0.83 1.13 4.05 -1.17 -2.02 114.93 115.77 2kw4 h MET 103 Ca 0.03 0.02 0.23 0.00 -0.28 0.00 0.00 59.70 59.71 2kw4 h MET 103 Cb 0.16 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.99 2kw4 h MET 103 CO -0.00 -0.21 0.59 -0.97 0.23 0.00 0.00 176.91 176.55 2kw4 h ASN 104 N -0.33 0.07 -0.61 1.39 -1.24 -1.61 0.37 115.58 113.61 2kw4 h ASN 104 Ca -0.02 0.01 0.11 0.00 0.71 0.00 0.00 56.30 57.11 2kw4 h ASN 104 Cb 0.29 -0.01 -0.09 0.00 0.73 0.00 0.00 38.32 39.25 2kw4 h ASN 104 CO -0.03 0.03 0.14 -0.61 -1.29 0.00 0.00 177.43 175.66 2kw4 h GLN 105 N 0.07 0.27 -0.41 6.67 -0.00 -1.28 -3.01 115.11 117.41 2kw4 h GLN 105 Ca 0.40 -0.02 -0.30 0.00 -0.00 0.00 0.00 58.65 58.73 2kw4 h GLN 105 Cb 1.49 -0.06 -0.34 0.00 0.00 0.00 0.00 27.48 28.57 2kw4 h GLN 105 CO -0.03 0.18 -0.89 2.48 0.00 0.00 0.00 178.83 180.56 2kw4 n TYR 106 N -5.12 1.40 -1.73 3.99 0.18 -0.27 -5.09 117.16 110.53 2kw4 n TYR 106 Ca 0.09 -1.81 -0.31 0.00 1.88 0.00 0.00 57.90 57.75 2kw4 n TYR 106 Cb 0.32 -0.26 0.03 0.00 -0.38 0.00 0.00 39.34 39.06 2kw4 n TYR 106 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 2kw4 s ARG 107 N -3.07 3.17 0.00 -3.48 1.04 0.11 -4.48 118.95 112.25 2kw4 s ARG 107 Ca 0.39 0.80 0.00 0.00 -1.04 0.00 0.00 55.73 55.88 2kw4 s ARG 107 Cb 0.37 -2.03 0.00 0.00 -2.04 0.00 0.00 34.95 31.25 2kw4 s ARG 107 CO -0.04 -0.89 0.00 0.41 -0.04 0.00 0.00 175.30 174.74 2kw4 n GLY 108 N -2.42 3.61 0.10 3.88 0.00 -1.26 -4.89 105.19 104.21 2kw4 n GLY 108 Ca 0.07 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 2kw4 n GLY 108 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2kw4 h ILE 109 N 0.00 1.58 -2.08 -0.61 -2.65 -1.97 -3.47 117.51 108.31 2kw4 h ILE 109 Ca 0.00 -2.96 -0.59 0.00 1.03 0.00 0.00 64.86 62.34 2kw4 h ILE 109 Cb 0.00 2.66 -0.13 0.00 -2.05 0.00 0.00 36.82 37.30 2kw4 h ILE 109 CO 0.00 0.85 -0.51 -0.72 0.03 0.00 0.00 178.15 177.80 2kw4 s TYR 110 N -2.97 1.81 0.07 0.16 1.13 -1.26 -4.17 117.35 112.12 2kw4 s TYR 110 Ca -0.01 -1.21 -0.25 0.00 -1.41 0.00 0.00 57.07 54.19 2kw4 s TYR 110 Cb 0.10 -1.27 0.07 0.00 -1.10 0.00 0.00 41.96 39.75 2kw4 s TYR 110 CO 0.83 -0.17 0.61 -1.12 -2.51 0.00 0.00 175.55 173.18 2kw4 s SER 111 N -3.67 -0.57 0.21 -0.18 0.01 -1.26 -4.94 113.70 103.30 2kw4 s SER 111 Ca 0.19 0.27 -0.09 0.00 1.31 0.00 0.00 55.95 57.63 2kw4 s SER 111 Cb 0.02 0.56 -0.01 0.00 0.21 0.00 0.00 66.02 66.80 2kw4 s SER 111 CO 0.12 -0.80 0.35 -0.36 0.41 0.00 0.00 173.24 172.96 2kw4 s PHE 112 N -2.65 0.55 1.05 2.43 0.40 -1.26 -3.71 117.98 114.78 2kw4 s PHE 112 Ca -0.04 -0.88 -0.17 0.00 -0.60 0.00 0.00 56.93 55.24 2kw4 s PHE 112 Cb -0.01 -0.04 0.27 0.00 0.51 0.00 0.00 43.02 43.75 2kw4 s PHE 112 CO -0.03 -0.84 0.60 -1.91 0.70 0.00 0.00 175.22 173.74 2kw4 n GLU 113 N -0.31 -3.76 -1.22 0.44 2.13 -1.26 -4.37 120.64 112.29 2kw4 n GLU 113 Ca -0.02 -1.01 -0.36 0.00 0.66 0.00 0.00 57.16 56.43 2kw4 n GLU 113 Cb 0.63 -1.36 -0.03 0.00 0.27 0.00 0.00 31.44 30.95 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 -4.38 3.34 -1.28 5.31 4.81 -1.26 -4.95 118.16 119.75 2kw4 n LYS 114 Ca 0.10 -2.08 -0.36 0.00 -0.87 0.00 0.00 58.31 55.10 2kw4 n LYS 114 Cb 0.42 -2.76 0.07 0.00 0.02 0.00 0.00 35.03 32.77 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 3.80 1.88 0.00 3.15 0.24 -1.26 -4.75 118.33 121.39 2kw4 n VAL 115 Ca 0.71 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 62.61 2kw4 n VAL 115 Cb 0.22 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 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 -0.78 0.00 0.00 7.34 4.76 -1.26 -4.94 118.16 123.28 2kw4 n LYS 116 Ca 0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 2kw4 n LYS 116 Cb 0.50 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.69 2kw4 n LYS 116 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kw4 n ALA 117 N -1.24 0.00 -3.61 7.82 0.00 -1.26 -4.12 120.51 118.10 2kw4 n ALA 117 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2kw4 n ALA 117 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2kw4 n ALA 117 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2kw4 s HIS 118 N 0.00 -0.06 0.00 0.00 5.04 -1.26 -1.24 115.29 117.77 2kw4 s HIS 118 Ca 0.00 0.02 0.00 0.00 -1.54 0.00 0.00 55.06 53.54 2kw4 s HIS 118 Cb 0.00 0.51 0.00 0.00 0.04 0.00 0.00 32.58 33.13 2kw4 s HIS 118 CO 0.00 -0.14 0.00 0.45 -2.34 0.00 0.00 174.74 172.71 2kw4 n SER 119 N -0.19 0.97 0.00 9.88 2.88 -1.26 -4.80 113.62 121.10 2kw4 n SER 119 Ca -0.01 -0.92 0.00 0.00 -1.33 0.00 0.00 58.87 56.61 2kw4 n SER 119 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 2kw4 n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kw4 n GLY 120 N 5.00 4.45 0.00 0.46 0.00 -1.26 -4.65 105.19 109.19 2kw4 n GLY 120 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.74 1.61 0.23 -1.26 -4.93 115.26 110.17 2kw4 n ASN 121 Ca 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.11 2kw4 n ASN 121 Cb 0.00 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 37.88 2kw4 n ASN 121 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2kw4 n GLU 122 N -0.54 2.91 -0.34 -3.83 0.28 -1.26 -4.64 120.64 113.21 2kw4 n GLU 122 Ca 0.00 -2.24 0.19 0.00 -0.16 0.00 0.00 57.16 54.95 2kw4 n GLU 122 Cb 0.00 -1.40 0.41 0.00 1.43 0.00 0.00 31.44 31.88 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 2.13 0.97 0.05 -1.84 -0.00 -1.91 0.27 116.94 116.60 2kw4 h PHE 123 Ca 0.00 0.03 -0.24 0.00 -0.00 0.00 0.00 57.97 57.77 2kw4 h PHE 123 Cb 0.89 -0.28 -0.00 0.00 -0.00 0.00 0.00 35.95 36.56 2kw4 h PHE 123 CO 0.31 0.04 -1.04 -2.95 -0.00 0.00 0.00 178.31 174.66 2kw4 h ASN 124 N 0.54 0.40 -0.05 -0.68 -1.07 -1.82 -3.16 115.58 109.74 2kw4 h ASN 124 Ca 0.65 -0.37 0.01 0.00 0.07 0.00 0.00 56.30 56.67 2kw4 h ASN 124 Cb 1.31 -0.13 -0.00 0.00 -2.07 0.00 0.00 38.32 37.43 2kw4 h ASN 124 CO -0.47 1.21 0.07 0.44 0.07 0.00 0.00 177.43 178.76 2kw4 h ASP 125 N 0.13 0.00 -0.99 6.14 3.32 -0.81 -2.00 116.42 122.21 2kw4 h ASP 125 Ca -0.09 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.12 2kw4 h ASP 125 Cb 1.72 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 41.18 2kw4 h ASP 125 CO 0.17 0.00 0.62 0.22 -1.72 0.00 0.00 179.24 178.53 2kw4 h TYR 126 N 0.00 1.04 -0.07 4.55 5.03 -1.36 0.31 116.97 126.47 2kw4 h TYR 126 Ca 0.02 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.38 2kw4 h TYR 126 Cb 0.16 -0.32 -0.00 0.00 1.55 0.00 0.00 36.73 38.12 2kw4 h TYR 126 CO 0.00 0.31 0.20 -0.39 -1.32 0.00 0.00 178.16 176.96 2kw4 h VAL 127 N 0.82 0.16 0.17 1.81 -1.51 -1.52 -1.85 116.25 114.32 2kw4 h VAL 127 Ca 0.53 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.99 2kw4 h VAL 127 Cb 0.76 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 2kw4 h VAL 127 CO -0.31 0.00 -0.08 0.44 -1.23 0.00 0.00 177.57 176.39 2kw4 h ASP 128 N 0.00 -0.19 -0.19 4.19 3.32 -0.56 0.32 116.42 123.32 2kw4 h ASP 128 Ca 0.03 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 2kw4 h ASP 128 Cb 0.43 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2kw4 h ASP 128 CO -0.00 -0.09 -0.56 -0.03 -1.72 0.00 0.00 179.24 176.84 2kw4 h MET 129 N -0.27 0.71 0.33 3.56 4.05 -1.48 -2.98 114.93 118.85 2kw4 h MET 129 Ca -0.02 -0.51 -0.02 0.00 -0.28 0.00 0.00 59.70 58.87 2kw4 h MET 129 Cb 0.21 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 2kw4 h MET 129 CO 0.04 1.13 -0.16 -0.22 0.23 0.00 0.00 176.91 177.93 2kw4 h LYS 130 N 0.41 -0.43 -0.79 0.39 3.11 -1.38 -2.54 116.57 115.34 2kw4 h LYS 130 Ca -0.02 0.03 0.17 0.00 -2.81 0.00 0.00 60.65 58.02 2kw4 h LYS 130 Cb 1.18 0.10 -0.05 0.00 -1.00 0.00 0.00 32.23 32.46 2kw4 h LYS 130 CO 0.12 -0.26 0.53 0.00 -2.81 0.00 0.00 179.45 177.03 2kw4 h ALA 131 N 0.17 2.23 -0.82 5.00 0.00 -0.43 0.56 119.26 125.96 2kw4 h ALA 131 Ca -0.05 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.09 2kw4 h ALA 131 Cb 0.37 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2kw4 h ALA 131 CO 0.08 -0.45 0.58 -0.22 0.00 0.00 0.00 179.25 179.23 2kw4 h LYS 132 N 0.35 0.09 0.04 0.00 3.64 -1.28 0.34 116.57 119.75 2kw4 h LYS 132 Ca 0.39 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.54 2kw4 h LYS 132 Cb 1.02 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 2kw4 h LYS 132 CO -0.12 0.06 -1.04 0.77 -2.27 0.00 0.00 179.45 176.85 2kw4 h SER 133 N 0.09 0.21 -0.02 4.20 0.02 -0.95 -3.13 113.55 113.97 2kw4 h SER 133 Ca 0.40 -0.21 -0.20 0.00 -0.84 0.00 0.00 61.79 60.94 2kw4 h SER 133 Cb 1.45 -0.07 0.02 0.00 0.14 0.00 0.00 62.40 63.94 2kw4 h SER 133 CO -0.04 1.11 -0.78 0.00 -1.14 0.00 0.00 176.83 175.97 2kw4 h ALA 134 N 0.86 0.13 0.43 3.77 0.00 -0.48 -3.35 119.26 120.62 2kw4 h ALA 134 Ca -0.06 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 2kw4 h ALA 134 Cb 1.75 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 2kw4 h ALA 134 CO 0.15 0.52 -0.42 1.25 0.00 0.00 0.00 179.25 180.75 2kw4 h LEU 135 N 0.18 -1.14 0.00 0.00 6.46 -0.79 -3.44 115.31 116.57 2kw4 h LEU 135 Ca -0.09 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2kw4 h LEU 135 Cb 1.46 0.37 0.00 0.00 -0.73 0.00 0.00 40.66 41.76 2kw4 h LEU 135 CO 0.16 -0.55 0.00 0.61 -0.62 0.00 0.00 178.44 178.03 2kw4 n GLY 136 N -1.47 -0.23 3.64 3.75 0.00 -1.20 -5.12 105.19 104.56 2kw4 n GLY 136 Ca -0.10 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 3.88 0.63 -0.61 -1.09 -1.19 -5.08 121.20 117.75 2kw4 s ILE 137 Ca 0.00 -0.81 0.07 0.00 -2.23 0.00 0.00 60.65 57.68 2kw4 s ILE 137 Cb 0.00 -2.75 0.11 0.00 -1.58 0.00 0.00 42.46 38.23 2kw4 s ILE 137 CO 0.00 0.30 0.87 -0.13 -1.23 0.00 0.00 174.94 174.75 2kw4 s ARG 138 N -1.74 2.06 0.52 2.79 0.52 -1.26 -4.96 118.95 116.88 2kw4 s ARG 138 Ca 0.20 -1.51 0.00 0.00 -0.52 0.00 0.00 55.73 53.90 2kw4 s ARG 138 Cb -0.11 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.81 2kw4 s ARG 138 CO 0.11 -1.09 0.00 -3.47 0.02 0.00 0.00 175.30 170.87 2kw4 n ASP 139 N -2.46 -6.58 -4.47 0.23 2.03 -1.26 -5.00 116.55 99.04 2kw4 n ASP 139 Ca 0.16 1.26 -0.23 0.00 0.52 0.00 0.00 54.79 56.49 2kw4 n ASP 139 Cb 0.61 -4.15 -0.10 0.00 -0.72 0.00 0.00 41.12 36.76 2kw4 n ASP 139 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2kw4 s LEU 140 N -6.59 2.62 0.00 -2.67 0.20 -1.26 -5.15 118.68 105.82 2kw4 s LEU 140 Ca 0.00 -1.12 -0.14 0.00 0.69 0.00 0.00 54.13 53.56 2kw4 s LEU 140 Cb 0.00 -0.93 0.05 0.00 -0.43 0.00 0.00 46.19 44.89 2kw4 s LEU 140 CO 0.00 -0.14 0.69 -0.62 -0.29 0.00 0.00 176.35 175.99 2kw4 n GLU 141 N -0.64 0.58 -3.59 1.98 1.02 -1.26 -5.19 120.64 113.53 2kw4 n GLU 141 Ca -0.05 -1.24 -0.04 0.00 -0.02 0.00 0.00 57.16 55.80 2kw4 n GLU 141 Cb 0.62 1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 33.65 2kw4 n GLU 141 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kw4 s HIS 142 N -3.45 -0.14 -0.12 -0.32 5.65 -1.26 -5.19 115.29 110.46 2kw4 s HIS 142 Ca 0.15 0.07 -0.33 0.00 0.25 0.00 0.00 55.06 55.20 2kw4 s HIS 142 Cb -0.03 0.53 0.13 0.00 -1.18 0.00 0.00 32.58 32.03 2kw4 s HIS 142 CO 0.05 -0.27 1.21 -1.58 -0.65 0.00 0.00 174.74 173.50 2kw4 s HIS 143 N -2.53 -0.11 0.23 3.88 2.46 -1.26 -5.19 115.29 112.76 2kw4 s HIS 143 Ca 0.10 0.04 -0.21 0.00 0.47 0.00 0.00 55.06 55.45 2kw4 s HIS 143 Cb -0.00 0.53 0.07 0.00 -0.13 0.00 0.00 32.58 33.05 2kw4 s HIS 143 CO -0.05 -0.27 0.96 -1.01 -2.47 0.00 0.00 174.74 171.91 2kw4 s HIS 144 N -2.49 0.06 0.10 3.88 3.76 -1.26 -5.19 115.29 114.14 2kw4 s HIS 144 Ca 0.11 -0.52 -0.26 0.00 -0.15 0.00 0.00 55.06 54.24 2kw4 s HIS 144 Cb 0.01 0.73 0.09 0.00 1.11 0.00 0.00 32.58 34.51 2kw4 s HIS 144 CO -0.04 -1.09 1.11 -1.01 -0.85 0.00 0.00 174.74 172.86 2kw4 s HIS 145 N -2.36 -0.04 0.14 1.40 3.76 -1.26 -5.19 115.29 111.74 2kw4 s HIS 145 Ca 0.19 -0.21 0.01 0.00 -0.15 0.00 0.00 55.06 54.90 2kw4 s HIS 145 Cb -0.03 0.62 -0.04 0.00 1.11 0.00 0.00 32.58 34.23 2kw4 s HIS 145 CO 0.07 -0.64 -0.00 -1.01 -0.85 0.00 0.00 174.74 172.31 2kw4 s HIS 146 N -2.64 0.99 0.00 1.40 3.76 -1.26 -5.37 115.29 112.17 2kw4 s HIS 146 Ca 0.17 -1.05 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 2kw4 s HIS 146 Cb 0.00 -0.58 0.00 0.00 1.11 0.00 0.00 32.58 33.12 2kw4 s HIS 146 CO 0.01 -0.28 0.00 1.58 -0.85 0.00 0.00 174.74 175.20