#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 -0.49 0.00 7.83 -1.08 -1.26 -4.92 116.67 116.74 2kw4 s ASP 2 Ca 0.00 0.82 0.00 0.00 -0.52 0.00 0.00 52.55 52.85 2kw4 s ASP 2 Cb 0.00 1.13 0.00 0.00 -1.46 0.00 0.00 42.92 42.59 2kw4 s ASP 2 CO 0.00 -0.13 0.00 -0.90 0.52 0.00 0.00 175.17 174.66 2kw4 n ASP 3 N 3.39 0.37 -0.43 -0.34 5.75 -1.26 -0.09 116.55 123.94 2kw4 n ASP 3 Ca -0.17 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 2kw4 n ASP 3 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 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 0.00 -1.94 0.11 1.85 -1.26 -4.77 116.66 110.65 2kw4 n ARG 4 Ca 0.00 -0.48 -0.30 0.00 -1.00 0.00 0.00 57.85 56.07 2kw4 n ARG 4 Cb 0.00 -0.26 0.21 0.00 -1.05 0.00 0.00 32.46 31.36 2kw4 n ARG 4 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2kw4 s THR 5 N 0.00 2.00 0.04 8.89 -4.23 -1.26 -4.99 115.64 116.09 2kw4 s THR 5 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2kw4 s THR 5 Cb 0.00 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2kw4 s THR 5 CO 0.00 0.00 0.00 1.21 -0.54 0.00 0.00 174.62 175.29 2kw4 n GLU 6 N -3.86 0.00 -0.76 3.99 2.13 -1.26 -5.08 120.64 115.80 2kw4 n GLU 6 Ca 0.17 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.66 2kw4 n GLU 6 Cb 0.59 0.00 0.14 0.00 0.27 0.00 0.00 31.44 32.44 2kw4 n GLU 6 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2kw4 n TYR 7 N -2.41 -1.56 -1.16 4.31 4.01 -1.26 -4.31 117.16 114.79 2kw4 n TYR 7 Ca 0.00 0.19 -0.35 0.00 -0.16 0.00 0.00 57.90 57.58 2kw4 n TYR 7 Cb 0.00 -1.68 0.08 0.00 -0.31 0.00 0.00 39.34 37.43 2kw4 n TYR 7 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2kw4 n ASP 8 N -1.26 -1.40 -4.84 7.72 2.03 -1.26 -4.50 116.55 113.04 2kw4 n ASP 8 Ca 0.04 0.53 -0.36 0.00 0.52 0.00 0.00 54.79 55.52 2kw4 n ASP 8 Cb 0.57 -1.21 -0.06 0.00 -0.72 0.00 0.00 41.12 39.70 2kw4 n ASP 8 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kw4 s VAL 9 N -2.02 4.86 -1.13 5.18 1.01 -1.26 -4.29 120.40 122.75 2kw4 s VAL 9 Ca 0.63 0.91 -0.22 0.00 0.00 0.00 0.00 61.98 63.30 2kw4 s VAL 9 Cb -0.32 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 2kw4 s VAL 9 CO 0.60 0.36 1.92 0.00 0.00 0.00 0.00 175.10 177.98 2kw4 n TYR 10 N 1.16 2.74 -4.50 5.22 9.36 -1.26 -4.85 117.16 125.02 2kw4 n TYR 10 Ca -0.08 -1.63 -0.25 0.00 3.32 0.00 0.00 57.90 59.26 2kw4 n TYR 10 Cb 0.52 -2.48 -0.08 0.00 -0.63 0.00 0.00 39.34 36.67 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 9.54 0.55 -0.22 2.97 -4.23 -1.26 -3.36 115.64 119.64 2kw4 s THR 11 Ca 0.65 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.11 2kw4 s THR 11 Cb 0.02 -2.35 0.02 0.00 1.34 0.00 0.00 72.50 71.53 2kw4 s THR 11 CO 0.13 0.00 0.11 0.47 -0.54 0.00 0.00 174.62 174.79 2kw4 n ASP 12 N -1.33 -4.56 0.00 3.99 8.00 -1.09 -4.83 116.55 116.72 2kw4 n ASP 12 Ca -0.05 1.31 0.00 0.00 0.71 0.00 0.00 54.79 56.76 2kw4 n ASP 12 Cb 0.65 -4.84 0.00 0.00 -0.02 0.00 0.00 41.12 36.91 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 1.31 -0.53 1.17 0.44 0.00 -1.26 -4.52 105.19 101.80 2kw4 n GLY 13 Ca -0.19 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2kw4 n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kw4 n SER 14 N 0.00 -6.35 -3.65 1.61 3.41 -1.26 -4.65 113.62 102.74 2kw4 n SER 14 Ca 0.00 1.35 -0.01 0.00 -0.26 0.00 0.00 58.87 59.95 2kw4 n SER 14 Cb 0.00 -3.51 -0.07 0.00 -0.26 0.00 0.00 64.21 60.37 2kw4 n SER 14 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2kw4 s TYR 15 N -4.87 -0.02 -0.06 7.33 1.13 -1.26 -4.61 117.35 114.99 2kw4 s TYR 15 Ca 0.00 0.05 -0.02 0.00 -1.41 0.00 0.00 57.07 55.69 2kw4 s TYR 15 Cb 0.00 0.38 0.04 0.00 -1.10 0.00 0.00 41.96 41.28 2kw4 s TYR 15 CO 0.00 -0.01 0.10 0.54 -2.51 0.00 0.00 175.55 173.67 2kw4 s VAL 16 N 0.24 -0.15 0.00 -3.49 0.11 -1.26 -5.00 120.40 110.84 2kw4 s VAL 16 Ca 0.04 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 2kw4 s VAL 16 Cb -0.04 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 2kw4 s VAL 16 CO -0.15 0.14 0.00 -3.20 -3.33 0.00 0.00 175.10 168.57 2kw4 n ASN 17 N 5.04 0.00 -0.60 3.54 5.15 -1.26 -1.61 115.26 125.51 2kw4 n ASN 17 Ca -0.10 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.87 2kw4 n ASN 17 Cb 0.50 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.74 2kw4 n ASN 17 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kw4 n GLY 18 N 0.00 0.89 3.23 8.20 0.00 -1.26 -5.14 105.19 111.11 2kw4 n GLY 18 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2kw4 n GLY 18 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kw4 n GLN 19 N 0.00 0.43 -4.31 1.61 6.02 -0.64 -4.79 117.38 115.71 2kw4 n GLN 19 Ca -0.05 -2.47 -0.20 0.00 -0.01 0.00 0.00 57.00 54.27 2kw4 n GLN 19 Cb 0.55 -0.33 -0.16 0.00 1.02 0.00 0.00 30.24 31.33 2kw4 n GLN 19 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 2kw4 s TYR 20 N -2.17 0.85 0.14 1.08 1.13 -1.25 -4.37 117.35 112.76 2kw4 s TYR 20 Ca 0.52 -0.22 -0.03 0.00 -1.41 0.00 0.00 57.07 55.93 2kw4 s TYR 20 Cb -0.04 -0.64 -0.03 0.00 -1.10 0.00 0.00 41.96 40.15 2kw4 s TYR 20 CO 0.34 -0.12 0.11 0.00 -2.51 0.00 0.00 175.55 173.37 2kw4 s ALA 21 N 0.35 0.68 0.11 9.51 0.00 -1.26 -2.07 121.76 129.07 2kw4 s ALA 21 Ca -0.05 -1.35 0.05 0.00 0.00 0.00 0.00 51.96 50.61 2kw4 s ALA 21 Cb -0.10 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 2kw4 s ALA 21 CO 0.00 -0.53 -0.13 1.67 0.00 0.00 0.00 175.76 176.78 2kw4 s TRP 22 N -4.03 1.29 0.12 0.00 -2.14 -0.43 -4.15 118.94 109.59 2kw4 s TRP 22 Ca 0.23 -0.57 -0.12 0.00 2.66 0.00 0.00 56.10 58.30 2kw4 s TRP 22 Cb 0.06 -0.69 0.02 0.00 -3.10 0.00 0.00 33.47 29.76 2kw4 s TRP 22 CO 0.02 0.10 0.31 0.00 -2.66 0.00 0.00 176.95 174.72 2kw4 s ALA 23 N -2.12 -0.55 -0.04 2.67 0.00 -1.26 -1.97 121.76 118.50 2kw4 s ALA 23 Ca 0.07 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.35 2kw4 s ALA 23 Cb -0.05 0.64 0.07 0.00 0.00 0.00 0.00 23.12 23.77 2kw4 s ALA 23 CO 0.02 -0.60 0.66 1.52 0.00 0.00 0.00 175.76 177.36 2kw4 s TYR 24 N -3.85 -0.63 -0.23 0.00 -0.85 -1.21 -4.04 117.35 106.54 2kw4 s TYR 24 Ca 0.06 1.04 -0.09 0.00 -0.52 0.00 0.00 57.07 57.56 2kw4 s TYR 24 Cb 0.03 0.40 -0.05 0.00 0.38 0.00 0.00 41.96 42.73 2kw4 s TYR 24 CO -0.10 -0.61 0.13 0.00 -1.52 0.00 0.00 175.55 173.44 2kw4 s ALA 25 N -1.35 3.52 -0.07 9.51 0.00 -1.25 -4.45 121.76 127.67 2kw4 s ALA 25 Ca -0.10 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 2kw4 s ALA 25 Cb -0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 2kw4 s ALA 25 CO 0.08 -0.12 -0.04 -0.06 0.00 0.00 0.00 175.76 175.62 2kw4 s PHE 26 N 0.93 3.02 -0.07 0.00 0.40 -1.25 -4.81 117.98 116.19 2kw4 s PHE 26 Ca 0.06 0.09 -0.03 0.00 -0.60 0.00 0.00 56.93 56.45 2kw4 s PHE 26 Cb -0.13 -1.73 0.04 0.00 0.51 0.00 0.00 43.02 41.70 2kw4 s PHE 26 CO 0.03 0.39 0.15 0.08 0.70 0.00 0.00 175.22 176.57 2kw4 s VAL 27 N -0.85 -0.13 -0.03 -0.44 1.01 -1.26 -2.94 120.40 115.75 2kw4 s VAL 27 Ca 0.13 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.41 2kw4 s VAL 27 Cb -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 2kw4 s VAL 27 CO 0.02 0.10 -0.21 -0.54 0.00 0.00 0.00 175.10 174.48 2kw4 s LYS 28 N 1.59 1.89 -0.49 2.72 -0.14 0.83 -4.65 119.74 121.49 2kw4 s LYS 28 Ca -0.05 -0.73 0.00 0.00 -1.36 0.00 0.00 55.97 53.83 2kw4 s LYS 28 Cb -0.12 -1.72 0.00 0.00 -1.68 0.00 0.00 37.83 34.32 2kw4 s LYS 28 CO -0.06 0.37 0.00 -0.25 -0.76 0.00 0.00 175.35 174.65 2kw4 n ASP 29 N 2.83 -5.08 0.00 2.83 9.92 0.87 -1.47 116.55 126.45 2kw4 n ASP 29 Ca -0.17 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 2kw4 n ASP 29 Cb 0.53 -2.99 0.00 0.00 -0.64 0.00 0.00 41.12 38.02 2kw4 n ASP 29 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kw4 n GLY 30 N -0.40 0.69 3.18 0.44 0.00 -1.26 -4.90 105.19 102.95 2kw4 n GLY 30 Ca -0.05 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.82 1.01 0.03 1.61 -2.85 -0.54 -4.97 119.74 113.21 2kw4 s LYS 31 Ca 0.00 -1.50 -0.30 0.00 -1.00 0.00 0.00 55.97 53.17 2kw4 s LYS 31 Cb 0.00 0.13 -0.08 0.00 -2.06 0.00 0.00 37.83 35.82 2kw4 s LYS 31 CO 0.00 -0.26 1.82 0.08 0.10 0.00 0.00 175.35 177.09 2kw4 s VAL 32 N -3.98 3.08 -0.16 1.79 1.01 -1.26 -0.12 120.40 120.76 2kw4 s VAL 32 Ca 0.27 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.42 2kw4 s VAL 32 Cb 0.07 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.21 2kw4 s VAL 32 CO 0.04 -0.02 -0.22 1.57 0.00 0.00 0.00 175.10 176.47 2kw4 n HIS 33 N 6.84 0.00 -4.44 5.22 -0.00 -1.15 -4.79 115.22 116.90 2kw4 n HIS 33 Ca 0.18 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.15 2kw4 n HIS 33 Cb 0.41 -0.56 -0.10 0.00 -0.12 0.00 0.00 29.99 29.62 2kw4 n HIS 33 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 2kw4 s TYR 34 N -2.36 1.82 -0.30 1.57 2.02 -1.25 -5.03 117.35 113.83 2kw4 s TYR 34 Ca -0.23 -1.11 -0.18 0.00 -0.37 0.00 0.00 57.07 55.18 2kw4 s TYR 34 Cb 0.08 -1.16 0.17 0.00 -0.40 0.00 0.00 41.96 40.65 2kw4 s TYR 34 CO 0.30 -0.16 1.24 -1.83 -1.57 0.00 0.00 175.55 173.53 2kw4 s GLU 35 N -3.87 0.03 -0.22 -0.62 1.03 -1.26 -3.85 118.70 109.94 2kw4 s GLU 35 Ca 0.33 0.05 -0.37 0.00 0.03 0.00 0.00 54.97 55.02 2kw4 s GLU 35 Cb 0.07 0.03 0.15 0.00 -0.80 0.00 0.00 34.13 33.58 2kw4 s GLU 35 CO 0.15 -0.03 1.36 0.34 -1.33 0.00 0.00 175.26 175.75 2kw4 s ASP 36 N 2.87 -0.03 0.24 0.83 -1.08 -1.26 -5.12 116.67 113.11 2kw4 s ASP 36 Ca -0.09 -0.01 0.03 0.00 -0.52 0.00 0.00 52.55 51.96 2kw4 s ASP 36 Cb -0.07 0.04 -0.05 0.00 -1.46 0.00 0.00 42.92 41.38 2kw4 s ASP 36 CO -0.08 -0.07 0.03 0.00 0.52 0.00 0.00 175.17 175.56 2kw4 s ALA 37 N -2.13 1.77 0.02 3.66 0.00 -1.26 -4.17 121.76 119.65 2kw4 s ALA 37 Ca 0.12 -1.79 0.02 0.00 0.00 0.00 0.00 51.96 50.31 2kw4 s ALA 37 Cb 0.01 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 2kw4 s ALA 37 CO -0.04 -0.32 -0.07 -0.51 0.00 0.00 0.00 175.76 174.83 2kw4 s ASP 38 N -3.30 0.75 0.19 0.00 1.01 -0.83 -5.01 116.67 109.47 2kw4 s ASP 38 Ca 0.31 -0.34 0.07 0.00 0.71 0.00 0.00 52.55 53.30 2kw4 s ASP 38 Cb 0.07 -0.01 -0.04 0.00 1.01 0.00 0.00 42.92 43.94 2kw4 s ASP 38 CO 0.10 -0.08 0.03 -0.69 0.21 0.00 0.00 175.17 174.74 2kw4 s VAL 39 N -0.79 3.82 0.00 -1.27 1.01 -1.26 -1.31 120.40 120.60 2kw4 s VAL 39 Ca -0.04 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.50 2kw4 s VAL 39 Cb -0.06 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2kw4 s VAL 39 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.56 2kw4 n GLY 40 N -0.28 4.81 2.17 4.51 0.00 -0.88 -5.01 105.19 110.51 2kw4 n GLY 40 Ca -0.09 -2.08 -0.02 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.12 0.31 -4.16 1.61 0.00 -1.26 -4.80 118.16 109.74 2kw4 n LYS 41 Ca 0.00 -0.52 -0.26 0.00 -0.00 0.00 0.00 58.31 57.53 2kw4 n LYS 41 Cb 0.00 0.05 -0.07 0.00 -0.00 0.00 0.00 35.03 35.02 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 -0.28 5.08 0.00 -5.58 0.01 -1.26 -5.01 114.94 107.91 2kw4 s ASN 42 Ca 0.04 -0.31 -0.24 0.00 -0.71 0.00 0.00 52.86 51.64 2kw4 s ASN 42 Cb 0.10 -1.19 -0.18 0.00 0.41 0.00 0.00 41.25 40.40 2kw4 s ASN 42 CO -0.03 0.06 1.30 1.55 -1.51 0.00 0.00 177.10 178.48 2kw4 h PRO 43 N 2.42 0.15 -0.44 -0.60 0.13 -2.02 0.26 132.00 131.91 2kw4 h PRO 43 Ca -0.47 -0.08 0.13 0.00 -0.87 0.00 0.00 66.00 64.70 2kw4 h PRO 43 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2kw4 h PRO 43 CO 0.60 0.60 0.39 0.00 -0.23 0.00 0.00 178.00 179.36 2kw4 h ALA 44 N 0.55 2.22 0.00 -0.56 0.00 -1.98 0.24 119.26 119.73 2kw4 h ALA 44 Ca 0.01 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 2kw4 h ALA 44 Cb 0.57 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2kw4 h ALA 44 CO 0.02 -0.62 -1.52 0.00 0.00 0.00 0.00 179.25 177.13 2kw4 n ALA 45 N -2.45 0.87 0.24 0.00 0.00 -1.16 -4.27 120.51 113.74 2kw4 n ALA 45 Ca 0.08 -0.71 0.18 0.00 0.00 0.00 0.00 53.44 52.99 2kw4 n ALA 45 Cb 0.58 -0.19 0.88 0.00 0.00 0.00 0.00 19.45 20.73 2kw4 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kw4 h ALA 46 N -0.79 1.63 0.00 0.00 0.00 -0.20 0.23 119.26 120.13 2kw4 h ALA 46 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2kw4 h ALA 46 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2kw4 h ALA 46 CO -0.22 -0.26 0.00 -2.37 0.00 0.00 0.00 179.25 176.39 2kw4 n THR 47 N -3.58 0.93 -1.34 0.00 5.66 0.82 -2.24 114.28 114.54 2kw4 n THR 47 Ca 0.01 0.23 0.06 0.00 -3.05 0.00 0.00 64.05 61.30 2kw4 n THR 47 Cb 0.30 -0.97 0.19 0.00 -1.55 0.00 0.00 70.33 68.30 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 -1.50 1.62 0.00 1.09 2.81 0.80 -5.03 117.12 116.91 2kw4 n MET 48 Ca 0.04 -2.99 0.00 0.00 -1.81 0.00 0.00 57.70 52.94 2kw4 n MET 48 Cb 0.18 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 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 -1.19 0.00 -0.46 0.03 1.74 -0.95 -1.15 116.66 114.68 2kw4 n ARG 49 Ca 0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2kw4 n ARG 49 Cb 0.73 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.17 2kw4 n ARG 49 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2kw4 n ASN 50 N 2.25 0.00 -0.02 0.55 0.23 -1.26 -3.84 115.26 113.16 2kw4 n ASN 50 Ca 0.00 -1.29 -0.17 0.00 -0.53 0.00 0.00 54.58 52.59 2kw4 n ASN 50 Cb 0.00 -0.06 -0.07 0.00 -2.08 0.00 0.00 39.78 37.57 2kw4 n ASN 50 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 2kw4 h VAL 51 N 5.41 1.29 0.00 3.53 2.07 -1.43 -3.03 116.25 124.09 2kw4 h VAL 51 Ca 0.00 -1.95 -0.07 0.00 0.82 0.00 0.00 66.70 65.50 2kw4 h VAL 51 Cb 1.11 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 2kw4 h VAL 51 CO 0.00 0.61 -0.34 0.00 0.02 0.00 0.00 177.57 177.86 2kw4 h ALA 52 N 0.54 0.85 0.00 1.67 0.00 -1.82 -3.11 119.26 117.39 2kw4 h ALA 52 Ca -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2kw4 h ALA 52 Cb 1.37 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2kw4 h ALA 52 CO 0.15 0.43 -0.04 0.78 0.00 0.00 0.00 179.25 180.57 2kw4 h GLY 53 N 2.93 0.00 1.47 0.00 0.00 -1.84 -2.98 103.07 102.64 2kw4 h GLY 53 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2kw4 h GLY 53 CO 0.04 0.00 -0.72 1.05 0.00 0.00 0.00 176.54 176.92 2kw4 h GLU 54 N 0.00 0.53 0.00 4.80 4.11 -1.46 -3.19 114.58 119.38 2kw4 h GLU 54 Ca -0.00 -0.42 -0.19 0.00 0.07 0.00 0.00 59.36 58.82 2kw4 h GLU 54 Cb 0.81 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2kw4 h GLU 54 CO 0.01 1.04 -0.86 0.82 0.07 0.00 0.00 179.01 180.09 2kw4 h ILE 55 N 0.37 1.55 -1.11 -1.06 2.04 -1.66 -2.89 117.51 114.75 2kw4 h ILE 55 Ca -0.03 -2.75 0.32 0.00 1.00 0.00 0.00 64.86 63.40 2kw4 h ILE 55 Cb 1.30 2.51 -0.06 0.00 -0.74 0.00 0.00 36.82 39.84 2kw4 h ILE 55 CO 0.13 0.79 0.78 0.00 0.00 0.00 0.00 178.15 179.86 2kw4 h ALA 56 N 1.06 2.88 0.29 1.87 0.00 -1.51 -0.36 119.26 123.49 2kw4 h ALA 56 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kw4 h ALA 56 Cb 1.50 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2kw4 h ALA 56 CO 0.12 -1.23 -0.17 0.00 0.00 0.00 0.00 179.25 177.98 2kw4 h ALA 57 N 1.48 -0.43 -0.96 0.00 0.00 -1.68 -2.52 119.26 115.15 2kw4 h ALA 57 Ca 0.55 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.55 2kw4 h ALA 57 Cb 2.02 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.93 2kw4 h ALA 57 CO -0.07 -0.75 0.61 0.00 0.00 0.00 0.00 179.25 179.03 2kw4 h ALA 58 N 0.27 1.81 0.08 0.00 0.00 -1.26 0.37 119.26 120.51 2kw4 h ALA 58 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kw4 h ALA 58 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kw4 h ALA 58 CO 0.04 -0.11 -0.15 -0.07 0.00 0.00 0.00 179.25 178.95 2kw4 h LEU 59 N 0.71 -0.45 -1.10 0.00 3.38 -1.34 0.70 115.31 117.21 2kw4 h LEU 59 Ca 0.51 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.45 2kw4 h LEU 59 Cb 0.85 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2kw4 h LEU 59 CO -0.27 -0.18 -0.16 1.88 0.09 0.00 0.00 178.44 179.80 2kw4 h TYR 60 N -0.25 0.49 -0.89 1.13 -1.99 -1.40 -2.18 116.97 111.88 2kw4 h TYR 60 Ca -0.01 -0.08 0.08 0.00 2.00 0.00 0.00 58.73 60.73 2kw4 h TYR 60 Cb 0.24 -0.13 -0.07 0.00 2.00 0.00 0.00 36.73 38.77 2kw4 h TYR 60 CO -0.26 0.59 0.54 0.00 -0.00 0.00 0.00 178.16 179.03 2kw4 h ALA 61 N 1.42 1.26 0.01 3.88 0.00 0.01 -0.66 119.26 125.19 2kw4 h ALA 61 Ca 0.07 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2kw4 h ALA 61 Cb 0.52 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2kw4 h ALA 61 CO 0.03 0.23 -0.31 0.28 0.00 0.00 0.00 179.25 179.49 2kw4 h VAL 62 N 0.94 1.55 -0.46 0.00 2.07 -0.60 -2.33 116.25 117.42 2kw4 h VAL 62 Ca 0.41 -2.04 0.09 0.00 0.82 0.00 0.00 66.70 65.99 2kw4 h VAL 62 Cb 0.29 2.83 -0.09 0.00 -1.52 0.00 0.00 31.29 32.81 2kw4 h VAL 62 CO -0.21 0.56 -0.09 0.11 0.02 0.00 0.00 177.57 177.96 2kw4 h LYS 63 N -0.49 0.02 0.00 1.57 1.57 -1.12 0.32 116.57 118.44 2kw4 h LYS 63 Ca -0.04 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 2kw4 h LYS 63 Cb 1.08 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2kw4 h LYS 63 CO 0.06 0.02 -0.45 0.87 -0.57 0.00 0.00 179.45 179.37 2kw4 h LYS 64 N 0.02 0.00 -0.81 3.15 6.56 -1.23 -2.99 116.57 121.27 2kw4 h LYS 64 Ca 0.23 0.00 0.20 0.00 -1.06 0.00 0.00 60.65 60.01 2kw4 h LYS 64 Cb 0.35 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.96 2kw4 h LYS 64 CO -0.46 0.45 0.55 0.00 -2.06 0.00 0.00 179.45 177.94 2kw4 h ALA 65 N 1.55 2.39 0.00 3.86 0.00 -0.34 0.31 119.26 127.02 2kw4 h ALA 65 Ca -0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2kw4 h ALA 65 Cb 0.88 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2kw4 h ALA 65 CO 0.06 -0.63 -0.68 1.03 0.00 0.00 0.00 179.25 179.03 2kw4 h SER 66 N 0.24 0.00 -0.32 0.00 0.87 -1.36 -2.34 113.55 110.63 2kw4 h SER 66 Ca 0.40 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.81 2kw4 h SER 66 Cb 1.20 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2kw4 h SER 66 CO -0.09 0.68 -0.39 1.56 -0.53 0.00 0.00 176.83 178.06 2kw4 h GLN 67 N 0.00 0.83 -0.00 2.24 4.20 -0.52 -2.80 115.11 119.06 2kw4 h GLN 67 Ca -0.01 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2kw4 h GLN 67 Cb 1.32 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2kw4 h GLN 67 CO 0.09 1.10 -0.00 1.28 -0.67 0.00 0.00 178.83 180.62 2kw4 n LEU 68 N -4.13 0.16 -1.89 1.46 4.32 -0.82 -4.88 117.00 111.22 2kw4 n LEU 68 Ca -0.03 -0.03 -0.21 0.00 -0.02 0.00 0.00 56.01 55.72 2kw4 n LEU 68 Cb 0.54 -0.02 -0.06 0.00 -1.62 0.00 0.00 43.42 42.25 2kw4 n LEU 68 CO 0.48 0.03 -0.22 0.61 -1.22 0.00 0.00 177.39 177.06 2kw4 n GLY 69 N 1.04 1.09 1.10 -0.72 0.00 -1.06 -4.30 105.19 102.34 2kw4 n GLY 69 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.96 0.00 -4.01 1.61 0.24 -0.90 -4.68 118.33 107.64 2kw4 n VAL 70 Ca -0.22 -0.64 -0.11 0.00 -2.04 0.00 0.00 64.34 61.33 2kw4 n VAL 70 Cb 0.68 -0.29 -0.11 0.00 -1.47 0.00 0.00 33.84 32.65 2kw4 n VAL 70 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2kw4 s LYS 71 N -2.64 0.39 0.52 7.34 3.01 -1.26 -4.55 119.74 122.56 2kw4 s LYS 71 Ca 0.08 -0.66 0.08 0.00 -1.01 0.00 0.00 55.97 54.46 2kw4 s LYS 71 Cb -0.01 -0.06 0.08 0.00 -1.01 0.00 0.00 37.83 36.84 2kw4 s LYS 71 CO 0.05 -0.01 0.70 0.44 0.51 0.00 0.00 175.35 177.04 2kw4 n ILE 72 N 1.58 0.00 -1.60 2.17 -5.35 -1.26 -4.91 119.36 109.99 2kw4 n ILE 72 Ca -0.23 -1.73 -0.40 0.00 -0.27 0.00 0.00 62.75 60.12 2kw4 n ILE 72 Cb 0.55 -0.55 0.02 0.00 -1.74 0.00 0.00 39.64 37.92 2kw4 n ILE 72 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2kw4 n ARG 73 N -2.11 1.19 0.00 6.28 -4.01 -1.26 -4.83 116.66 111.91 2kw4 n ARG 73 Ca 0.14 0.43 0.00 0.00 -1.04 0.00 0.00 57.85 57.38 2kw4 n ARG 73 Cb 0.53 -2.05 0.00 0.00 -3.04 0.00 0.00 32.46 27.90 2kw4 n ARG 73 CO 0.00 0.00 0.00 1.51 -3.04 0.00 0.00 177.63 176.10 2kw4 n ILE 74 N -0.88 0.00 -4.24 8.89 3.06 -1.26 -4.47 119.36 120.46 2kw4 n ILE 74 Ca 0.10 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 60.20 2kw4 n ILE 74 Cb 0.42 -0.65 -0.06 0.00 0.54 0.00 0.00 39.64 39.89 2kw4 n ILE 74 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 2kw4 n LEU 75 N -2.44 0.00 -1.72 9.51 7.94 -1.26 -4.59 117.00 124.45 2kw4 n LEU 75 Ca 0.00 -2.41 -0.19 0.00 -1.11 0.00 0.00 56.01 52.30 2kw4 n LEU 75 Cb 0.36 1.21 -0.07 0.00 0.53 0.00 0.00 43.42 45.45 2kw4 n LEU 75 CO 0.00 -0.40 -0.19 1.57 -1.11 0.00 0.00 177.39 177.26 2kw4 n HIS 76 N -0.51 -0.29 -4.10 1.96 -0.00 -1.26 -4.93 115.22 106.09 2kw4 n HIS 76 Ca 0.05 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.90 2kw4 n HIS 76 Cb 0.46 -3.35 -0.16 0.00 -0.12 0.00 0.00 29.99 26.82 2kw4 n HIS 76 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2kw4 s ASP 77 N -2.50 3.28 -0.37 0.26 2.15 -1.26 -4.90 116.67 113.33 2kw4 s ASP 77 Ca 0.00 -0.75 0.01 0.00 0.43 0.00 0.00 52.55 52.25 2kw4 s ASP 77 Cb 0.00 -1.45 0.41 0.00 -0.30 0.00 0.00 42.92 41.57 2kw4 s ASP 77 CO 0.00 -0.04 1.78 0.00 -0.17 0.00 0.00 175.17 176.74 2kw4 n TYR 78 N 4.61 2.17 -0.02 -5.34 9.36 -1.26 -4.78 117.16 121.90 2kw4 n TYR 78 Ca -0.19 -1.79 0.00 0.00 3.32 0.00 0.00 57.90 59.23 2kw4 n TYR 78 Cb 0.49 -0.89 0.00 0.00 -0.63 0.00 0.00 39.34 38.31 2kw4 n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2kw4 n ALA 79 N -0.47 0.00 0.07 2.98 0.00 -1.26 -4.84 120.51 116.99 2kw4 n ALA 79 Ca 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.76 2kw4 n ALA 79 Cb 1.06 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.38 2kw4 n ALA 79 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kw4 h GLY 80 N -0.90 0.11 0.73 0.00 0.00 -1.82 -3.22 103.07 97.98 2kw4 h GLY 80 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.10 2kw4 h GLY 80 CO 0.00 0.24 0.24 -2.22 0.00 0.00 0.00 176.54 174.80 2kw4 h ILE 81 N 0.03 0.95 0.00 2.60 5.03 -1.92 -0.01 117.51 124.20 2kw4 h ILE 81 Ca -0.08 -0.16 0.00 0.00 -0.12 0.00 0.00 64.86 64.50 2kw4 h ILE 81 Cb 1.86 0.44 0.00 0.00 -3.03 0.00 0.00 36.82 36.09 2kw4 h ILE 81 CO 0.15 0.09 0.00 0.00 -0.68 0.00 0.00 178.15 177.71 2kw4 n ALA 82 N -2.33 2.19 -0.04 1.87 0.00 -1.25 -1.66 120.51 119.30 2kw4 n ALA 82 Ca 0.04 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 2kw4 n ALA 82 Cb 0.13 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.03 0.00 0.00 3.57 -1.01 -3.36 116.94 116.11 2kw4 h PHE 83 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2kw4 h PHE 83 Cb 0.35 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.09 2kw4 h PHE 83 CO 0.00 0.35 -0.14 0.11 -2.23 0.00 0.00 178.31 176.40 2kw4 h TRP 84 N -0.99 0.00 -0.87 0.41 0.09 -1.51 -3.29 115.95 109.78 2kw4 h TRP 84 Ca -0.00 0.00 0.14 0.00 0.09 0.00 0.00 58.89 59.12 2kw4 h TRP 84 Cb 0.39 0.00 -0.07 0.00 0.08 0.00 0.00 29.16 29.57 2kw4 h TRP 84 CO 0.10 0.00 0.56 0.00 0.09 0.00 0.00 178.44 179.20 2kw4 h ALA 85 N 2.06 1.84 -0.33 0.11 0.00 -1.46 0.37 119.26 121.85 2kw4 h ALA 85 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kw4 h ALA 85 Cb 0.97 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2kw4 h ALA 85 CO 0.00 -0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.43 2kw4 n THR 86 N -4.55 0.73 -3.21 0.00 -2.24 -1.24 -4.08 114.28 99.69 2kw4 n THR 86 Ca 0.17 -0.53 -0.45 0.00 -2.27 0.00 0.00 64.05 60.97 2kw4 n THR 86 Cb 0.46 0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2kw4 n THR 86 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2kw4 s GLY 87 N -0.81 2.92 0.54 3.38 0.00 0.13 -4.85 107.32 108.63 2kw4 s GLY 87 Ca 0.25 -3.64 0.30 0.00 0.00 0.00 0.00 44.72 41.63 2kw4 s GLY 87 CO 0.14 1.56 1.91 0.83 0.00 0.00 0.00 173.10 177.53 2kw4 h GLU 88 N 6.95 0.00 -6.31 2.90 5.08 -1.83 -3.36 114.58 118.01 2kw4 h GLU 88 Ca 0.21 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 58.02 2kw4 h GLU 88 Cb 0.89 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2kw4 h GLU 88 CO 1.07 0.00 0.66 -1.58 -1.00 0.00 0.00 179.01 178.15 2kw4 s TRP 89 N -4.93 3.28 -0.56 4.33 0.52 -1.26 -4.86 118.94 115.46 2kw4 s TRP 89 Ca -0.05 1.31 -0.08 0.00 0.02 0.00 0.00 56.10 57.31 2kw4 s TRP 89 Cb 0.20 -3.36 0.14 0.00 -1.15 0.00 0.00 33.47 29.30 2kw4 s TRP 89 CO 0.73 -1.05 0.42 0.15 0.02 0.00 0.00 176.95 177.22 2kw4 s LYS 90 N 2.08 2.62 -0.01 4.98 1.02 -1.25 -4.51 119.74 124.66 2kw4 s LYS 90 Ca 0.54 -2.08 -0.20 0.00 0.02 0.00 0.00 55.97 54.25 2kw4 s LYS 90 Cb -0.23 -3.92 -0.25 0.00 -0.52 0.00 0.00 37.83 32.91 2kw4 s LYS 90 CO 0.22 -1.19 1.05 0.00 -0.92 0.00 0.00 175.35 174.51 2kw4 h ALA 91 N 7.93 0.04 0.00 5.17 0.00 -1.95 -3.38 119.26 127.07 2kw4 h ALA 91 Ca -0.10 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 2kw4 h ALA 91 Cb 1.03 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2kw4 h ALA 91 CO 0.79 0.34 -0.42 0.87 0.00 0.00 0.00 179.25 180.83 2kw4 h LYS 92 N -0.18 0.00 -7.04 0.00 1.79 -1.91 -3.47 116.57 105.75 2kw4 h LYS 92 Ca -0.09 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.79 2kw4 h LYS 92 Cb 1.36 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 31.67 2kw4 h LYS 92 CO 0.12 0.63 -0.87 0.27 -1.08 0.00 0.00 179.45 178.53 2kw4 n ASN 93 N -4.60 -2.19 0.00 0.86 0.23 -1.26 -4.65 115.26 103.65 2kw4 n ASN 93 Ca -0.13 -1.15 0.00 0.00 -0.53 0.00 0.00 54.58 52.76 2kw4 n ASN 93 Cb 0.40 -1.87 0.00 0.00 -2.08 0.00 0.00 39.78 36.23 2kw4 n ASN 93 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2kw4 n GLU 94 N -4.10 0.00 -0.07 -3.83 0.28 -1.26 -4.85 120.64 106.81 2kw4 n GLU 94 Ca 0.11 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.00 2kw4 n GLU 94 Cb 0.46 -0.20 -0.04 0.00 1.43 0.00 0.00 31.44 33.10 2kw4 n GLU 94 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2kw4 n PHE 95 N -2.37 0.00 -0.13 -1.84 3.72 -1.26 -4.47 117.46 111.10 2kw4 n PHE 95 Ca 0.00 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.59 2kw4 n PHE 95 Cb 0.08 -0.49 0.60 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.80 0.72 -0.03 4.37 2.02 -1.94 -1.72 112.91 115.54 2kw4 h THR 96 Ca -0.13 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.00 2kw4 h THR 96 Cb 0.96 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 2kw4 h THR 96 CO -0.08 0.04 -0.17 -0.61 0.37 0.00 0.00 175.52 175.08 2kw4 h GLN 97 N 0.22 -0.25 -0.72 6.66 4.15 -1.80 -2.23 115.11 121.14 2kw4 h GLN 97 Ca 0.36 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.89 2kw4 h GLN 97 Cb 1.08 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.76 2kw4 h GLN 97 CO -0.08 -0.17 0.37 0.00 -1.93 0.00 0.00 178.83 177.02 2kw4 h ALA 98 N 0.69 0.99 -0.70 3.38 0.00 -1.53 -1.68 119.26 120.41 2kw4 h ALA 98 Ca 0.06 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.13 2kw4 h ALA 98 Cb 0.34 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2kw4 h ALA 98 CO -0.18 -0.03 0.29 1.88 0.00 0.00 0.00 179.25 181.22 2kw4 h TYR 99 N 0.62 0.51 -0.13 0.00 0.05 -1.33 0.11 116.97 116.81 2kw4 h TYR 99 Ca 0.35 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 59.13 2kw4 h TYR 99 Cb 0.35 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 2kw4 h TYR 99 CO -0.10 0.12 -0.07 0.00 -1.05 0.00 0.00 178.16 177.06 2kw4 h ALA 100 N 1.47 1.64 -0.04 3.88 0.00 -0.88 -2.80 119.26 122.52 2kw4 h ALA 100 Ca 0.36 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2kw4 h ALA 100 Cb 0.47 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2kw4 h ALA 100 CO -0.33 0.27 -0.49 0.87 0.00 0.00 0.00 179.25 179.57 2kw4 h LYS 101 N 0.19 0.40 -0.07 0.00 1.57 -0.53 -3.12 116.57 115.01 2kw4 h LYS 101 Ca 0.04 -0.38 0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2kw4 h LYS 101 Cb 0.25 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2kw4 h LYS 101 CO 0.01 1.03 0.30 -0.07 -0.57 0.00 0.00 179.45 180.16 2kw4 h LEU 102 N -0.09 0.00 0.07 2.94 3.38 -0.68 -2.77 115.31 118.17 2kw4 h LEU 102 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2kw4 h LEU 102 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2kw4 h LEU 102 CO 0.10 0.00 -0.20 -0.03 0.09 0.00 0.00 178.44 178.40 2kw4 h MET 103 N 0.00 -0.30 -0.64 1.13 4.05 -1.47 -1.43 114.93 116.27 2kw4 h MET 103 Ca 0.04 0.02 0.17 0.00 -0.28 0.00 0.00 59.70 59.65 2kw4 h MET 103 Cb 0.64 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.48 2kw4 h MET 103 CO -0.00 -0.20 0.45 -0.97 0.23 0.00 0.00 176.91 176.42 2kw4 h ASN 104 N -0.31 0.06 -0.37 1.39 -1.24 -1.69 0.34 115.58 113.76 2kw4 h ASN 104 Ca -0.01 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.08 2kw4 h ASN 104 Cb 0.30 -0.01 -0.06 0.00 0.73 0.00 0.00 38.32 39.28 2kw4 h ASN 104 CO -0.09 0.03 -0.03 -0.61 -1.29 0.00 0.00 177.43 175.43 2kw4 h GLN 105 N 0.06 0.06 -0.18 6.67 -0.00 -1.30 -2.71 115.11 117.71 2kw4 h GLN 105 Ca 0.31 -0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.89 2kw4 h GLN 105 Cb 1.13 -0.01 -0.04 0.00 0.00 0.00 0.00 27.48 28.56 2kw4 h GLN 105 CO -0.02 0.04 -0.14 2.48 0.00 0.00 0.00 178.83 181.19 2kw4 n TYR 106 N -5.22 0.59 -2.53 3.99 0.18 -0.56 -5.02 117.16 108.59 2kw4 n TYR 106 Ca 0.02 -1.31 -0.42 0.00 1.88 0.00 0.00 57.90 58.07 2kw4 n TYR 106 Cb 0.20 -0.33 -0.03 0.00 -0.38 0.00 0.00 39.34 38.80 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 -3.08 4.41 0.00 -3.48 3.00 0.11 -4.32 118.95 115.58 2kw4 s ARG 107 Ca 0.40 1.60 0.00 0.00 -1.00 0.00 0.00 55.73 56.73 2kw4 s ARG 107 Cb 0.36 -3.50 0.00 0.00 0.00 0.00 0.00 34.95 31.80 2kw4 s ARG 107 CO 0.01 -0.34 0.00 0.41 0.00 0.00 0.00 175.30 175.38 2kw4 n GLY 108 N 3.23 0.16 0.07 8.12 0.00 -1.26 -4.97 105.19 110.52 2kw4 n GLY 108 Ca 0.10 0.00 -0.08 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 0.86 -4.54 -0.61 -0.00 -1.26 -5.05 119.36 108.76 2kw4 n ILE 109 Ca 0.00 -0.45 -0.31 0.00 -0.00 0.00 0.00 62.75 61.98 2kw4 n ILE 109 Cb 0.00 -0.82 -0.06 0.00 -0.00 0.00 0.00 39.64 38.76 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 -2.30 1.82 0.12 4.28 1.13 -1.26 -4.32 117.35 116.82 2kw4 s TYR 110 Ca -0.12 -0.92 -0.11 0.00 -1.41 0.00 0.00 57.07 54.52 2kw4 s TYR 110 Cb 0.04 -1.69 0.01 0.00 -1.10 0.00 0.00 41.96 39.22 2kw4 s TYR 110 CO 0.45 0.06 0.27 0.45 -2.51 0.00 0.00 175.55 174.27 2kw4 s SER 111 N -3.97 0.01 -0.02 -0.18 0.15 -1.26 -4.97 113.70 103.45 2kw4 s SER 111 Ca 0.13 -0.62 -0.30 0.00 0.70 0.00 0.00 55.95 55.86 2kw4 s SER 111 Cb 0.01 0.40 0.12 0.00 -1.71 0.00 0.00 66.02 64.83 2kw4 s SER 111 CO 0.08 -0.81 1.30 -0.36 1.20 0.00 0.00 173.24 174.65 2kw4 s PHE 112 N -3.87 -0.02 0.65 3.44 0.08 -1.26 -4.58 117.98 112.43 2kw4 s PHE 112 Ca 0.07 -0.09 -0.09 0.00 0.12 0.00 0.00 56.93 56.95 2kw4 s PHE 112 Cb 0.04 0.55 0.01 0.00 -0.57 0.00 0.00 43.02 43.05 2kw4 s PHE 112 CO -0.08 -0.26 1.01 -1.21 -0.10 0.00 0.00 175.22 174.57 2kw4 s GLU 113 N -2.26 2.85 0.55 0.44 2.02 -1.26 -5.01 118.70 116.03 2kw4 s GLU 113 Ca 0.19 0.22 -0.19 0.00 0.02 0.00 0.00 54.97 55.20 2kw4 s GLU 113 Cb 0.03 -2.14 -0.08 0.00 0.10 0.00 0.00 34.13 32.05 2kw4 s GLU 113 CO -0.03 -0.90 0.75 1.17 0.02 0.00 0.00 175.26 176.28 2kw4 n LYS 114 N -2.81 0.77 -4.38 1.61 4.81 -1.26 -4.95 118.16 111.95 2kw4 n LYS 114 Ca 0.06 0.29 -0.20 0.00 -0.87 0.00 0.00 58.31 57.60 2kw4 n LYS 114 Cb 0.58 -1.90 -0.15 0.00 0.02 0.00 0.00 35.03 33.57 2kw4 n LYS 114 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2kw4 s VAL 115 N -1.56 0.75 0.00 3.15 -7.23 -1.26 -4.24 120.40 110.01 2kw4 s VAL 115 Ca 0.70 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 2kw4 s VAL 115 Cb -0.46 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 35.82 2kw4 s VAL 115 CO 0.52 0.23 0.00 0.29 -0.31 0.00 0.00 175.10 175.83 2kw4 n LYS 116 N 3.16 0.00 0.00 4.82 4.76 -1.26 -4.86 118.16 124.78 2kw4 n LYS 116 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 2kw4 n LYS 116 Cb 0.55 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.72 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 -1.32 0.00 0.00 7.82 0.00 -1.26 -3.94 120.51 121.81 2kw4 n ALA 117 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kw4 n ALA 117 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kw4 n ALA 117 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2kw4 n HIS 118 N 0.00 0.00 -4.02 0.00 8.25 -1.26 -3.87 115.22 114.32 2kw4 n HIS 118 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 2kw4 n HIS 118 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 2kw4 n HIS 118 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2kw4 n SER 119 N 0.00 -0.57 0.00 0.41 3.41 -1.26 -4.68 113.62 110.93 2kw4 n SER 119 Ca 0.00 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 2kw4 n SER 119 Cb 0.00 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 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 -0.56 0.78 0.00 5.00 0.00 -1.26 -5.13 105.19 104.03 2kw4 n GLY 120 Ca 0.04 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2kw4 n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kw4 n ASN 121 N 0.00 0.00 -1.00 1.61 5.15 -1.26 -5.01 115.26 114.76 2kw4 n ASN 121 Ca 0.00 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.06 2kw4 n ASN 121 Cb 0.00 0.00 0.24 0.00 -0.53 0.00 0.00 39.78 39.49 2kw4 n ASN 121 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2kw4 n GLU 122 N 0.00 2.99 -0.17 1.20 0.28 -1.26 -4.57 120.64 119.10 2kw4 n GLU 122 Ca 0.00 -2.42 0.29 0.00 -0.16 0.00 0.00 57.16 54.87 2kw4 n GLU 122 Cb 0.00 -1.51 0.72 0.00 1.43 0.00 0.00 31.44 32.08 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 2.89 0.00 -0.02 -1.84 -5.15 -1.92 0.26 116.94 111.17 2kw4 h PHE 123 Ca 0.00 0.00 -0.22 0.00 -0.20 0.00 0.00 57.97 57.55 2kw4 h PHE 123 Cb 0.99 0.00 0.02 0.00 0.22 0.00 0.00 35.95 37.18 2kw4 h PHE 123 CO 0.41 0.00 -0.84 -2.95 -2.00 0.00 0.00 178.31 172.93 2kw4 h ASN 124 N 0.00 0.77 -0.28 -0.68 7.08 -1.85 -3.01 115.58 117.62 2kw4 h ASN 124 Ca 0.43 -0.73 0.08 0.00 -3.08 0.00 0.00 56.30 53.00 2kw4 h ASN 124 Cb 1.87 -0.24 -0.01 0.00 -2.08 0.00 0.00 38.32 37.87 2kw4 h ASN 124 CO -0.00 1.40 0.37 0.44 -2.08 0.00 0.00 177.43 177.56 2kw4 h ASP 125 N 0.23 0.00 -0.98 6.14 5.19 -0.70 -0.80 116.42 125.50 2kw4 h ASP 125 Ca -0.10 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.48 2kw4 h ASP 125 Cb 1.51 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.93 2kw4 h ASP 125 CO 0.17 0.00 0.61 0.22 -3.12 0.00 0.00 179.24 177.12 2kw4 h TYR 126 N 0.00 0.97 -0.08 4.55 5.03 -1.48 0.32 116.97 126.28 2kw4 h TYR 126 Ca 0.13 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.50 2kw4 h TYR 126 Cb 0.88 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 38.86 2kw4 h TYR 126 CO 0.00 0.28 0.21 -0.39 -1.32 0.00 0.00 178.16 176.93 2kw4 h VAL 127 N 0.74 0.17 0.00 1.81 -1.51 -1.35 -1.65 116.25 114.47 2kw4 h VAL 127 Ca 0.53 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 66.00 2kw4 h VAL 127 Cb 0.84 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 2kw4 h VAL 127 CO -0.30 0.00 -0.00 0.44 -1.23 0.00 0.00 177.57 176.48 2kw4 h ASP 128 N 0.00 -0.00 -0.18 4.19 5.19 -0.54 0.29 116.42 125.37 2kw4 h ASP 128 Ca 0.04 -0.11 -0.16 0.00 -0.62 0.00 0.00 57.03 56.18 2kw4 h ASP 128 Cb 0.45 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 2kw4 h ASP 128 CO -0.00 0.10 -0.52 -0.03 -3.12 0.00 0.00 179.24 175.68 2kw4 h MET 129 N -0.11 0.66 0.38 3.56 4.05 -1.44 -2.89 114.93 119.14 2kw4 h MET 129 Ca -0.00 -0.48 -0.02 0.00 -0.28 0.00 0.00 59.70 58.93 2kw4 h MET 129 Cb 0.11 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 2kw4 h MET 129 CO 0.00 1.10 -0.18 -0.22 0.23 0.00 0.00 176.91 177.83 2kw4 h LYS 130 N 0.35 -0.50 -0.80 0.39 3.11 -1.39 -2.66 116.57 115.07 2kw4 h LYS 130 Ca -0.01 0.03 0.17 0.00 -2.81 0.00 0.00 60.65 58.03 2kw4 h LYS 130 Cb 1.14 0.11 -0.05 0.00 -1.00 0.00 0.00 32.23 32.43 2kw4 h LYS 130 CO 0.11 -0.29 0.54 0.00 -2.81 0.00 0.00 179.45 177.00 2kw4 h ALA 131 N 0.01 2.19 -0.79 5.00 0.00 -0.50 0.63 119.26 125.80 2kw4 h ALA 131 Ca -0.05 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.07 2kw4 h ALA 131 Cb 0.44 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2kw4 h ALA 131 CO 0.09 -0.42 0.55 -0.22 0.00 0.00 0.00 179.25 179.25 2kw4 h LYS 132 N 0.38 0.11 -0.02 0.00 3.64 -1.25 0.17 116.57 119.61 2kw4 h LYS 132 Ca 0.40 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.56 2kw4 h LYS 132 Cb 0.99 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2kw4 h LYS 132 CO -0.13 0.08 -0.88 0.77 -2.27 0.00 0.00 179.45 177.02 2kw4 h SER 133 N 0.12 0.52 -0.62 4.20 0.02 -0.92 -2.92 113.55 113.94 2kw4 h SER 133 Ca 0.38 -0.39 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 2kw4 h SER 133 Cb 1.34 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 2kw4 h SER 133 CO -0.05 1.18 0.41 0.00 -1.14 0.00 0.00 176.83 177.23 2kw4 h ALA 134 N 0.80 1.68 0.24 3.77 0.00 -0.69 -3.14 119.26 121.92 2kw4 h ALA 134 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2kw4 h ALA 134 Cb 1.50 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2kw4 h ALA 134 CO 0.15 0.24 -0.11 -0.07 0.00 0.00 0.00 179.25 179.46 2kw4 h LEU 135 N 0.72 -0.27 0.00 0.00 3.38 -1.49 -3.49 115.31 114.16 2kw4 h LEU 135 Ca 0.25 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2kw4 h LEU 135 Cb 0.11 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2kw4 h LEU 135 CO -0.07 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.20 2kw4 n GLY 136 N 0.90 0.52 3.79 0.83 0.00 -1.11 -5.14 105.19 104.97 2kw4 n GLY 136 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.99 3.48 0.46 -0.61 -1.09 -1.18 -5.05 121.20 116.22 2kw4 s ILE 137 Ca 0.00 0.78 0.01 0.00 -2.23 0.00 0.00 60.65 59.21 2kw4 s ILE 137 Cb 0.00 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 2kw4 s ILE 137 CO 0.00 -0.34 0.67 -0.13 -1.23 0.00 0.00 174.94 173.91 2kw4 s ARG 138 N -3.78 2.94 -0.01 2.79 0.52 -1.26 -4.97 118.95 115.18 2kw4 s ARG 138 Ca 0.67 -0.62 -0.05 0.00 -0.52 0.00 0.00 55.73 55.21 2kw4 s ARG 138 Cb -0.19 -2.57 0.02 0.00 0.52 0.00 0.00 34.95 32.72 2kw4 s ARG 138 CO 0.34 -0.34 0.21 -3.47 0.02 0.00 0.00 175.30 172.05 2kw4 n ASP 139 N -2.09 -0.15 -4.33 0.23 2.03 -1.26 -5.18 116.55 105.79 2kw4 n ASP 139 Ca 0.03 -1.00 -0.23 0.00 0.52 0.00 0.00 54.79 54.11 2kw4 n ASP 139 Cb 0.58 0.23 -0.01 0.00 -0.72 0.00 0.00 41.12 41.20 2kw4 n ASP 139 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2kw4 n LEU 140 N 0.00 0.00 0.00 -2.67 0.00 -1.26 -5.10 117.00 107.97 2kw4 n LEU 140 Ca 0.01 -2.44 0.00 0.00 0.00 0.00 0.00 56.01 53.58 2kw4 n LEU 140 Cb 0.09 0.03 0.00 0.00 0.00 0.00 0.00 43.42 43.54 2kw4 n LEU 140 CO 0.02 -0.50 0.22 -0.62 0.00 0.00 0.00 177.39 176.51 2kw4 n GLU 141 N -1.47 0.00 -1.24 1.96 -0.58 -1.26 -5.04 120.64 113.01 2kw4 n GLU 141 Ca -0.05 0.27 0.15 0.00 -0.42 0.00 0.00 57.16 57.11 2kw4 n GLU 141 Cb 0.52 -1.05 -0.08 0.00 -0.57 0.00 0.00 31.44 30.26 2kw4 n GLU 141 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2kw4 n HIS 142 N -1.30 -3.32 -2.67 -0.32 8.25 -1.26 -5.03 115.22 109.57 2kw4 n HIS 142 Ca 0.00 1.83 0.01 0.00 -0.26 0.00 0.00 57.72 59.30 2kw4 n HIS 142 Cb 0.00 -3.02 0.01 0.00 1.12 0.00 0.00 29.99 28.10 2kw4 n HIS 142 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kw4 s HIS 143 N -4.00 -0.07 0.03 4.41 -3.43 -1.26 -5.17 115.29 105.80 2kw4 s HIS 143 Ca 0.00 0.01 0.03 0.00 -0.80 0.00 0.00 55.06 54.30 2kw4 s HIS 143 Cb 0.00 0.01 -0.02 0.00 -1.43 0.00 0.00 32.58 31.14 2kw4 s HIS 143 CO 0.00 -0.05 -0.10 -1.58 -2.00 0.00 0.00 174.74 171.01 2kw4 s HIS 144 N 1.86 0.90 -0.28 0.38 2.46 -1.26 -5.15 115.29 114.20 2kw4 s HIS 144 Ca 0.15 -0.35 -0.28 0.00 0.47 0.00 0.00 55.06 55.05 2kw4 s HIS 144 Cb 0.06 -0.54 0.19 0.00 -0.13 0.00 0.00 32.58 32.16 2kw4 s HIS 144 CO -0.16 -0.01 1.35 -3.38 -2.47 0.00 0.00 174.74 170.07 2kw4 s HIS 145 N -0.90 -0.07 -0.24 3.88 -3.43 -1.26 -5.19 115.29 108.08 2kw4 s HIS 145 Ca -0.02 0.14 -0.32 0.00 -0.80 0.00 0.00 55.06 54.05 2kw4 s HIS 145 Cb -0.07 0.49 0.16 0.00 -1.43 0.00 0.00 32.58 31.73 2kw4 s HIS 145 CO 0.01 -0.06 1.28 -1.58 -2.00 0.00 0.00 174.74 172.39 2kw4 s HIS 146 N -0.74 -0.10 0.00 0.38 2.46 -1.26 -5.38 115.29 110.65 2kw4 s HIS 146 Ca 0.08 0.13 0.00 0.00 0.47 0.00 0.00 55.06 55.73 2kw4 s HIS 146 Cb -0.02 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 32.93 2kw4 s HIS 146 CO -0.09 -0.12 0.00 1.58 -2.47 0.00 0.00 174.74 173.64