#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 -5.21 -0.92 7.83 2.03 -1.24 -3.35 116.55 115.68 2kw4 n ASP 2 Ca 0.00 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2kw4 n ASP 2 Cb 0.00 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 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 -2.47 0.00 -0.41 1.67 5.75 -1.26 -0.24 116.55 119.59 2kw4 n ASP 3 Ca 0.00 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 53.86 2kw4 n ASP 3 Cb 0.02 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 -2.94 0.11 1.85 -1.26 -4.72 116.66 109.70 2kw4 n ARG 4 Ca 0.00 -0.48 -0.35 0.00 -1.00 0.00 0.00 57.85 56.02 2kw4 n ARG 4 Cb 0.00 -0.27 -0.06 0.00 -1.05 0.00 0.00 32.46 31.08 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 4.45 0.00 8.89 -4.23 -1.26 -4.98 115.64 118.51 2kw4 s THR 5 Ca 0.00 1.41 0.12 0.00 -1.18 0.00 0.00 61.69 62.04 2kw4 s THR 5 Cb 0.00 -3.77 0.20 0.00 1.34 0.00 0.00 72.50 70.28 2kw4 s THR 5 CO 0.00 -0.05 1.06 -0.62 -0.54 0.00 0.00 174.62 174.48 2kw4 n GLU 6 N 0.05 0.00 -4.47 3.99 1.02 -1.26 -4.87 120.64 115.09 2kw4 n GLU 6 Ca 0.03 -1.44 -0.23 0.00 -0.02 0.00 0.00 57.16 55.50 2kw4 n GLU 6 Cb 0.52 -0.21 -0.11 0.00 -0.02 0.00 0.00 31.44 31.62 2kw4 n GLU 6 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2kw4 s TYR 7 N 0.00 2.06 0.75 -0.32 1.51 -1.26 -4.79 117.35 115.30 2kw4 s TYR 7 Ca 0.16 -0.83 -0.16 0.00 -1.01 0.00 0.00 57.07 55.24 2kw4 s TYR 7 Cb 0.19 -1.32 -0.03 0.00 -0.11 0.00 0.00 41.96 40.68 2kw4 s TYR 7 CO -0.08 0.17 0.53 -3.47 -1.11 0.00 0.00 175.55 171.59 2kw4 n ASP 8 N -0.71 -1.26 -4.85 2.29 -0.08 -1.01 -4.27 116.55 106.67 2kw4 n ASP 8 Ca -0.04 0.56 -0.35 0.00 -1.51 0.00 0.00 54.79 53.45 2kw4 n ASP 8 Cb 0.66 -1.22 -0.06 0.00 2.34 0.00 0.00 41.12 42.84 2kw4 n ASP 8 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2kw4 s VAL 9 N -1.97 4.91 -1.19 5.18 1.01 -1.24 -4.66 120.40 122.44 2kw4 s VAL 9 Ca 0.65 0.76 -0.22 0.00 0.00 0.00 0.00 61.98 63.17 2kw4 s VAL 9 Cb -0.33 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 2kw4 s VAL 9 CO 0.59 0.29 1.93 0.00 0.00 0.00 0.00 175.10 177.90 2kw4 n TYR 10 N 0.93 2.81 -3.72 5.22 9.36 -1.26 -4.86 117.16 125.64 2kw4 n TYR 10 Ca -0.07 -1.53 -0.25 0.00 3.32 0.00 0.00 57.90 59.37 2kw4 n TYR 10 Cb 0.52 -2.62 0.01 0.00 -0.63 0.00 0.00 39.34 36.62 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 10.73 1.62 -0.56 2.97 -4.23 -1.26 -2.98 115.64 121.94 2kw4 s THR 11 Ca 0.68 -1.39 -0.28 0.00 -1.18 0.00 0.00 61.69 59.52 2kw4 s THR 11 Cb -0.00 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.87 2kw4 s THR 11 CO 0.13 0.00 0.65 -0.90 -0.54 0.00 0.00 174.62 173.96 2kw4 n ASP 12 N -1.92 -5.37 -2.59 3.99 5.75 -1.23 -4.77 116.55 110.42 2kw4 n ASP 12 Ca 0.02 -0.37 0.00 0.00 -0.01 0.00 0.00 54.79 54.42 2kw4 n ASP 12 Cb 0.64 -1.74 0.00 0.00 -1.03 0.00 0.00 41.12 38.99 2kw4 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kw4 n GLY 13 N -0.60 0.54 0.02 6.12 0.00 -1.25 -4.74 105.19 105.28 2kw4 n GLY 13 Ca -0.15 -1.42 -0.00 0.00 0.00 0.00 0.00 46.02 44.45 2kw4 n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kw4 n SER 14 N 0.00 0.24 -2.86 1.61 7.64 -1.26 -4.96 113.62 114.03 2kw4 n SER 14 Ca 0.00 -1.01 -0.16 0.00 1.01 0.00 0.00 58.87 58.71 2kw4 n SER 14 Cb 0.00 -0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2kw4 n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kw4 n TYR 15 N -0.89 -0.33 -3.63 1.43 4.11 -1.26 -3.61 117.16 112.99 2kw4 n TYR 15 Ca 0.00 -2.01 -0.21 0.00 -0.00 0.00 0.00 57.90 55.68 2kw4 n TYR 15 Cb 0.00 0.13 -0.17 0.00 -0.00 0.00 0.00 39.34 39.31 2kw4 n TYR 15 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2kw4 s VAL 16 N -2.88 -0.16 0.00 -3.48 0.11 -1.26 -4.97 120.40 107.77 2kw4 s VAL 16 Ca 0.24 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 2kw4 s VAL 16 Cb 0.01 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.46 2kw4 s VAL 16 CO 0.17 -0.04 0.00 -3.20 -3.33 0.00 0.00 175.10 168.70 2kw4 n ASN 17 N 5.30 0.00 -0.61 3.54 2.85 -1.26 -2.24 115.26 122.84 2kw4 n ASN 17 Ca -0.05 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.39 2kw4 n ASN 17 Cb 0.50 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 0.45 2.26 8.20 0.00 -1.26 -5.15 105.19 109.69 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 0.86 -4.86 1.61 7.27 -0.95 -4.96 117.38 116.35 2kw4 n GLN 19 Ca -0.10 -1.89 -0.26 0.00 0.07 0.00 0.00 57.00 54.82 2kw4 n GLN 19 Cb 0.47 -0.02 -0.16 0.00 2.41 0.00 0.00 30.24 32.94 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 1.75 -0.08 3.69 1.13 -1.26 -4.19 117.35 117.12 2kw4 s TYR 20 Ca 0.30 -0.51 0.00 0.00 -1.41 0.00 0.00 57.07 55.45 2kw4 s TYR 20 Cb -0.02 -1.18 0.02 0.00 -1.10 0.00 0.00 41.96 39.68 2kw4 s TYR 20 CO 0.19 -0.17 -0.07 0.00 -2.51 0.00 0.00 175.55 172.99 2kw4 s ALA 21 N 0.04 1.03 -0.14 9.51 0.00 -1.24 -3.31 121.76 127.65 2kw4 s ALA 21 Ca -0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 2kw4 s ALA 21 Cb -0.12 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2kw4 s ALA 21 CO 0.02 -0.18 -0.06 1.67 0.00 0.00 0.00 175.76 177.21 2kw4 s TRP 22 N 1.27 2.97 0.15 0.00 -2.14 -1.04 -3.81 118.94 116.34 2kw4 s TRP 22 Ca -0.04 -0.35 0.01 0.00 2.66 0.00 0.00 56.10 58.38 2kw4 s TRP 22 Cb -0.14 -1.92 -0.04 0.00 -3.10 0.00 0.00 33.47 28.27 2kw4 s TRP 22 CO -0.02 -0.04 -0.00 0.00 -2.66 0.00 0.00 176.95 174.22 2kw4 s ALA 23 N 0.27 1.21 0.17 2.67 0.00 -1.26 -2.39 121.76 122.43 2kw4 s ALA 23 Ca -0.05 -1.53 -0.03 0.00 0.00 0.00 0.00 51.96 50.36 2kw4 s ALA 23 Cb -0.14 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 2kw4 s ALA 23 CO 0.03 -0.32 0.16 1.52 0.00 0.00 0.00 175.76 177.15 2kw4 s TYR 24 N -3.70 0.87 -0.39 0.00 -0.85 -1.16 -4.01 117.35 108.11 2kw4 s TYR 24 Ca 0.21 -1.18 -0.10 0.00 -0.52 0.00 0.00 57.07 55.48 2kw4 s TYR 24 Cb 0.06 -0.39 0.04 0.00 0.38 0.00 0.00 41.96 42.05 2kw4 s TYR 24 CO 0.02 -0.64 0.22 0.00 -1.52 0.00 0.00 175.55 173.63 2kw4 s ALA 25 N -4.08 3.27 -0.10 9.51 0.00 -1.24 -4.83 121.76 124.29 2kw4 s ALA 25 Ca 0.29 -1.85 -0.04 0.00 0.00 0.00 0.00 51.96 50.36 2kw4 s ALA 25 Cb 0.06 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 2kw4 s ALA 25 CO 0.06 -1.47 0.05 -0.06 0.00 0.00 0.00 175.76 174.34 2kw4 s PHE 26 N 1.51 3.31 -0.18 0.00 0.40 -1.26 -4.82 117.98 116.94 2kw4 s PHE 26 Ca 0.02 0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 56.54 2kw4 s PHE 26 Cb -0.20 -1.85 0.06 0.00 0.51 0.00 0.00 43.02 41.54 2kw4 s PHE 26 CO 0.05 0.56 0.44 0.08 0.70 0.00 0.00 175.22 177.05 2kw4 s VAL 27 N -0.91 -0.02 -0.13 -0.44 1.01 -1.26 -3.89 120.40 114.76 2kw4 s VAL 27 Ca 0.14 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.19 2kw4 s VAL 27 Cb -0.12 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.63 2kw4 s VAL 27 CO 0.03 0.02 -0.19 -0.54 0.00 0.00 0.00 175.10 174.42 2kw4 s LYS 28 N 1.07 2.67 -0.64 2.72 -0.14 -0.99 -4.55 119.74 119.88 2kw4 s LYS 28 Ca -0.07 -0.72 0.00 0.00 -1.36 0.00 0.00 55.97 53.82 2kw4 s LYS 28 Cb -0.07 -2.22 0.00 0.00 -1.68 0.00 0.00 37.83 33.86 2kw4 s LYS 28 CO -0.09 -0.06 0.00 -3.47 -0.76 0.00 0.00 175.35 170.96 2kw4 n ASP 29 N 4.21 -5.05 0.00 2.83 -0.08 0.67 -1.90 116.55 117.22 2kw4 n ASP 29 Ca -0.19 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 2kw4 n ASP 29 Cb 0.51 -3.08 0.00 0.00 2.34 0.00 0.00 41.12 40.89 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 -0.48 1.00 3.15 0.27 0.00 -1.26 -4.85 105.19 103.02 2kw4 n GLY 30 Ca -0.06 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 2kw4 n GLY 30 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kw4 n LYS 31 N -1.32 0.54 -2.90 1.61 2.85 -0.80 -4.99 118.16 113.15 2kw4 n LYS 31 Ca 0.00 -3.25 -0.43 0.00 -1.05 0.00 0.00 58.31 53.58 2kw4 n LYS 31 Cb 0.22 1.99 -0.04 0.00 -0.65 0.00 0.00 35.03 36.55 2kw4 n LYS 31 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2kw4 s VAL 32 N -3.08 4.40 -0.14 0.58 1.01 -1.26 -2.34 120.40 119.57 2kw4 s VAL 32 Ca 0.24 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 2kw4 s VAL 32 Cb 0.01 -4.66 -0.09 0.00 0.00 0.00 0.00 36.38 31.65 2kw4 s VAL 32 CO 0.17 -1.41 0.09 -0.74 0.00 0.00 0.00 175.10 173.20 2kw4 h HIS 33 N 9.50 0.00 -4.00 5.22 2.76 -1.88 -3.48 115.15 123.27 2kw4 h HIS 33 Ca -0.28 0.00 -0.41 0.00 -2.20 0.00 0.00 60.37 57.48 2kw4 h HIS 33 Cb 1.07 0.00 -0.24 0.00 1.55 0.00 0.00 27.41 29.80 2kw4 h HIS 33 CO 0.95 0.43 -0.78 0.71 -1.30 0.00 0.00 177.93 177.94 2kw4 s TYR 34 N -2.06 1.14 -0.44 5.26 2.02 -1.26 -5.06 117.35 116.95 2kw4 s TYR 34 Ca -0.14 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 56.25 2kw4 s TYR 34 Cb 0.01 -0.67 0.33 0.00 -0.40 0.00 0.00 41.96 41.24 2kw4 s TYR 34 CO 0.29 0.03 1.08 -0.85 -1.57 0.00 0.00 175.55 174.53 2kw4 n GLU 35 N 1.71 1.02 -3.57 -0.62 0.28 -1.26 -4.03 120.64 114.18 2kw4 n GLU 35 Ca -0.19 -2.14 -0.28 0.00 -0.16 0.00 0.00 57.16 54.39 2kw4 n GLU 35 Cb 0.55 -1.07 -0.16 0.00 1.43 0.00 0.00 31.44 32.19 2kw4 n GLU 35 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2kw4 s ASP 36 N -1.45 3.21 1.01 -1.84 -1.08 -1.26 -5.14 116.67 110.12 2kw4 s ASP 36 Ca 0.25 -1.10 -0.01 0.00 -0.52 0.00 0.00 52.55 51.17 2kw4 s ASP 36 Cb 0.31 -0.34 0.01 0.00 -1.46 0.00 0.00 42.92 41.44 2kw4 s ASP 36 CO -0.06 -0.41 0.03 0.00 0.52 0.00 0.00 175.17 175.25 2kw4 n ALA 37 N 5.24 -0.16 -3.67 3.66 0.00 -1.26 -4.96 120.51 119.36 2kw4 n ALA 37 Ca -0.06 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 2kw4 n ALA 37 Cb 0.44 -0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.94 -0.48 0.17 0.00 1.01 -1.00 -5.03 116.67 109.39 2kw4 s ASP 38 Ca 0.02 0.85 0.05 0.00 0.71 0.00 0.00 52.55 54.18 2kw4 s ASP 38 Cb -0.00 0.74 -0.04 0.00 1.01 0.00 0.00 42.92 44.63 2kw4 s ASP 38 CO 0.02 -0.19 0.19 -0.69 0.21 0.00 0.00 175.17 174.71 2kw4 s VAL 39 N 1.29 4.74 0.00 -1.27 1.01 -1.26 -2.50 120.40 122.42 2kw4 s VAL 39 Ca -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.89 2kw4 s VAL 39 Cb -0.08 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2kw4 s VAL 39 CO -0.11 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.46 2kw4 n GLY 40 N -0.52 3.57 2.24 4.51 0.00 -1.21 -5.04 105.19 108.74 2kw4 n GLY 40 Ca -0.08 -1.89 -0.02 0.00 0.00 0.00 0.00 46.02 44.03 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 0.04 -4.38 1.61 0.00 -1.26 -4.93 118.16 109.24 2kw4 n LYS 41 Ca 0.00 -0.36 -0.26 0.00 -0.00 0.00 0.00 58.31 57.69 2kw4 n LYS 41 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 34.91 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 -0.04 3.15 0.00 -5.58 0.01 -1.26 -5.06 114.94 106.17 2kw4 s ASN 42 Ca 0.01 -0.82 -0.24 0.00 -0.71 0.00 0.00 52.86 51.10 2kw4 s ASN 42 Cb 0.01 -0.21 -0.18 0.00 0.41 0.00 0.00 41.25 41.28 2kw4 s ASN 42 CO -0.00 0.09 1.30 1.55 -1.51 0.00 0.00 177.10 178.53 2kw4 h PRO 43 N 3.45 0.14 -0.42 -0.60 0.13 -2.02 -0.32 132.00 132.36 2kw4 h PRO 43 Ca -0.46 -0.07 0.04 0.00 -0.87 0.00 0.00 66.00 64.63 2kw4 h PRO 43 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2kw4 h PRO 43 CO 0.46 0.59 0.28 0.00 -0.23 0.00 0.00 178.00 179.09 2kw4 h ALA 44 N 0.55 1.88 0.00 -0.56 0.00 -1.97 0.27 119.26 119.44 2kw4 h ALA 44 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2kw4 h ALA 44 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2kw4 h ALA 44 CO 0.01 0.06 -0.72 0.00 0.00 0.00 0.00 179.25 178.61 2kw4 h ALA 45 N 1.77 0.69 -0.39 0.00 0.00 -1.98 -3.30 119.26 116.05 2kw4 h ALA 45 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kw4 h ALA 45 Cb 0.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kw4 h ALA 45 CO -0.04 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.43 2kw4 n ALA 46 N -2.20 3.32 -0.28 0.00 0.00 -0.14 -4.28 120.51 116.94 2kw4 n ALA 46 Ca -0.00 -2.13 0.00 0.00 0.00 0.00 0.00 53.44 51.31 2kw4 n ALA 46 Cb 0.61 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.02 0.00 -1.18 0.00 5.66 0.82 -4.73 114.28 114.82 2kw4 n THR 47 Ca 0.24 -0.33 -0.28 0.00 -3.05 0.00 0.00 64.05 60.62 2kw4 n THR 47 Cb 1.00 1.28 0.12 0.00 -1.55 0.00 0.00 70.33 71.18 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 -0.10 2.38 -2.57 1.09 2.81 -1.25 -4.85 117.12 114.63 2kw4 n MET 48 Ca 0.00 -2.95 -0.18 0.00 -1.81 0.00 0.00 57.70 52.76 2kw4 n MET 48 Cb 0.07 -2.16 -0.00 0.00 -0.71 0.00 0.00 33.22 30.42 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 -0.90 -2.46 -1.23 0.03 1.74 -1.26 -0.14 116.66 112.44 2kw4 n ARG 49 Ca 0.58 0.82 -0.08 0.00 -0.77 0.00 0.00 57.85 58.40 2kw4 n ARG 49 Cb 1.11 -5.50 -0.03 0.00 -1.02 0.00 0.00 32.46 27.02 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 -2.04 -5.16 -0.03 0.55 5.15 -1.26 -4.86 115.26 107.61 2kw4 n ASN 50 Ca -0.18 0.19 -0.16 0.00 -0.60 0.00 0.00 54.58 53.84 2kw4 n ASN 50 Cb 0.64 -3.35 -0.08 0.00 -0.53 0.00 0.00 39.78 36.46 2kw4 n ASN 50 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2kw4 h VAL 51 N 0.00 1.36 -0.85 3.44 2.07 -0.84 -3.14 116.25 118.29 2kw4 h VAL 51 Ca -0.16 -1.81 0.25 0.00 0.82 0.00 0.00 66.70 65.80 2kw4 h VAL 51 Cb 0.92 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 2kw4 h VAL 51 CO 0.23 0.54 0.61 0.00 0.02 0.00 0.00 177.57 178.98 2kw4 h ALA 52 N 0.49 2.80 -0.34 1.67 0.00 -1.83 0.76 119.26 122.81 2kw4 h ALA 52 Ca -0.03 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2kw4 h ALA 52 Cb 1.13 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2kw4 h ALA 52 CO 0.10 -1.04 -0.41 0.78 0.00 0.00 0.00 179.25 178.68 2kw4 h GLY 53 N 0.01 0.91 0.29 0.00 0.00 -1.82 0.48 103.07 102.95 2kw4 h GLY 53 Ca 0.40 -0.95 0.03 0.00 0.00 0.00 0.00 47.33 46.82 2kw4 h GLY 53 CO -0.01 0.85 -0.32 -2.09 0.00 0.00 0.00 176.54 174.97 2kw4 h GLU 54 N 0.68 -0.45 -0.00 4.80 4.81 -0.91 -2.37 114.58 121.13 2kw4 h GLU 54 Ca 0.05 0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.13 2kw4 h GLU 54 Cb 0.99 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2kw4 h GLU 54 CO 0.09 -0.30 -0.81 0.82 -0.73 0.00 0.00 179.01 178.08 2kw4 h ILE 55 N -0.47 1.51 -0.66 2.32 2.04 -1.60 -3.26 117.51 117.40 2kw4 h ILE 55 Ca 0.06 -2.58 0.13 0.00 1.00 0.00 0.00 64.86 63.47 2kw4 h ILE 55 Cb 0.56 2.41 -0.13 0.00 -0.74 0.00 0.00 36.82 38.93 2kw4 h ILE 55 CO -0.27 0.75 -0.18 0.00 0.00 0.00 0.00 178.15 178.44 2kw4 h ALA 56 N 1.10 0.39 -0.32 1.87 0.00 -0.39 -0.26 119.26 121.66 2kw4 h ALA 56 Ca -0.03 0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2kw4 h ALA 56 Cb 1.41 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 19.68 2kw4 h ALA 56 CO 0.12 -0.45 -0.02 0.00 0.00 0.00 0.00 179.25 178.90 2kw4 h ALA 57 N 1.60 0.27 -0.86 0.00 0.00 -1.54 -0.93 119.26 117.80 2kw4 h ALA 57 Ca 0.31 0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.50 2kw4 h ALA 57 Cb 0.49 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 2kw4 h ALA 57 CO -0.68 -0.42 0.57 0.00 0.00 0.00 0.00 179.25 178.71 2kw4 h ALA 58 N 1.29 2.15 0.26 0.00 0.00 -1.20 0.27 119.26 122.03 2kw4 h ALA 58 Ca 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2kw4 h ALA 58 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kw4 h ALA 58 CO -0.28 -0.41 -0.12 -0.07 0.00 0.00 0.00 179.25 178.37 2kw4 h LEU 59 N 0.43 -0.29 -2.12 0.00 3.38 -0.52 -2.05 115.31 114.14 2kw4 h LEU 59 Ca 0.44 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.44 2kw4 h LEU 59 Cb 1.04 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2kw4 h LEU 59 CO -0.16 -0.20 0.06 1.88 0.09 0.00 0.00 178.44 180.11 2kw4 h TYR 60 N -0.38 0.00 -0.81 1.13 0.05 -1.28 -1.49 116.97 114.19 2kw4 h TYR 60 Ca -0.04 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 2kw4 h TYR 60 Cb 0.27 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.97 2kw4 h TYR 60 CO 0.15 0.00 0.40 0.00 -1.05 0.00 0.00 178.16 177.65 2kw4 h ALA 61 N 1.95 1.04 0.01 3.88 0.00 -0.37 -2.02 119.26 123.76 2kw4 h ALA 61 Ca 0.03 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 2kw4 h ALA 61 Cb 0.15 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.63 2kw4 h ALA 61 CO -0.00 0.60 -0.55 0.28 0.00 0.00 0.00 179.25 179.58 2kw4 h VAL 62 N 1.14 1.46 -0.45 0.00 2.07 -0.55 -0.82 116.25 119.10 2kw4 h VAL 62 Ca 0.28 -2.10 0.09 0.00 0.82 0.00 0.00 66.70 65.79 2kw4 h VAL 62 Cb 0.11 2.69 -0.08 0.00 -1.52 0.00 0.00 31.29 32.49 2kw4 h VAL 62 CO -0.04 0.60 -0.07 0.11 0.02 0.00 0.00 177.57 178.20 2kw4 h LYS 63 N -0.21 0.04 0.01 1.57 1.57 -1.28 -1.36 116.57 116.91 2kw4 h LYS 63 Ca -0.07 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.51 2kw4 h LYS 63 Cb 1.28 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 2kw4 h LYS 63 CO 0.11 0.03 -0.89 0.87 -0.57 0.00 0.00 179.45 178.99 2kw4 h LYS 64 N 0.04 0.08 -0.86 3.15 1.79 -1.46 -3.22 116.57 116.09 2kw4 h LYS 64 Ca 0.22 -0.10 0.21 0.00 -2.18 0.00 0.00 60.65 58.80 2kw4 h LYS 64 Cb 0.33 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.96 2kw4 h LYS 64 CO -0.43 0.92 0.59 0.00 -1.08 0.00 0.00 179.45 179.45 2kw4 h ALA 65 N 1.05 2.39 0.00 3.86 0.00 -0.02 0.39 119.26 126.92 2kw4 h ALA 65 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2kw4 h ALA 65 Cb 1.55 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2kw4 h ALA 65 CO 0.13 -0.65 -0.64 1.03 0.00 0.00 0.00 179.25 179.12 2kw4 h SER 66 N 0.27 0.00 -0.14 0.00 0.87 -1.45 -1.96 113.55 111.13 2kw4 h SER 66 Ca 0.44 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.85 2kw4 h SER 66 Cb 1.28 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.24 2kw4 h SER 66 CO -0.12 0.64 -0.50 1.56 -0.53 0.00 0.00 176.83 177.88 2kw4 h GLN 67 N 0.00 0.59 0.00 2.24 4.20 -0.38 -3.00 115.11 118.75 2kw4 h GLN 67 Ca -0.01 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.26 2kw4 h GLN 67 Cb 1.24 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.10 2kw4 h GLN 67 CO 0.08 1.06 0.00 1.28 -0.67 0.00 0.00 178.83 180.59 2kw4 n LEU 68 N -4.20 0.00 -0.36 1.46 4.32 -0.66 -4.87 117.00 112.69 2kw4 n LEU 68 Ca -0.07 0.12 -0.05 0.00 -0.02 0.00 0.00 56.01 55.99 2kw4 n LEU 68 Cb 0.59 -0.12 -0.02 0.00 -1.62 0.00 0.00 43.42 42.26 2kw4 n LEU 68 CO 0.47 -0.01 -0.04 0.61 -1.22 0.00 0.00 177.39 177.20 2kw4 n GLY 69 N 1.01 0.58 3.92 -0.72 0.00 -1.03 -3.64 105.19 105.30 2kw4 n GLY 69 Ca 0.19 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.68 5.11 0.12 1.61 -7.23 -0.77 -4.55 120.40 113.01 2kw4 s VAL 70 Ca 0.00 -0.88 0.11 0.00 -1.81 0.00 0.00 61.98 59.40 2kw4 s VAL 70 Cb 0.00 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 2kw4 s VAL 70 CO 0.00 -0.17 -0.26 -0.54 -0.31 0.00 0.00 175.10 173.82 2kw4 s LYS 71 N -3.44 1.50 0.10 4.82 3.01 -1.26 -4.35 119.74 120.11 2kw4 s LYS 71 Ca 0.34 -1.30 0.01 0.00 -1.01 0.00 0.00 55.97 54.01 2kw4 s LYS 71 Cb -0.10 -1.93 -0.04 0.00 -1.01 0.00 0.00 37.83 34.75 2kw4 s LYS 71 CO 0.28 0.46 0.23 0.96 0.51 0.00 0.00 175.35 177.79 2kw4 s ILE 72 N -1.03 5.33 0.30 2.17 -4.36 -1.26 -4.94 121.20 117.41 2kw4 s ILE 72 Ca 0.14 -0.52 0.02 0.00 -0.26 0.00 0.00 60.65 60.03 2kw4 s ILE 72 Cb -0.10 -3.66 -0.05 0.00 1.25 0.00 0.00 42.46 39.91 2kw4 s ILE 72 CO 0.06 0.05 0.12 -0.13 0.24 0.00 0.00 174.94 175.27 2kw4 s ARG 73 N -2.79 1.55 0.00 0.37 0.52 -1.26 -4.47 118.95 112.87 2kw4 s ARG 73 Ca 0.35 -1.87 0.00 0.00 -0.52 0.00 0.00 55.73 53.69 2kw4 s ARG 73 Cb -0.12 -0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.03 2kw4 s ARG 73 CO 0.28 -0.35 0.00 -0.89 0.02 0.00 0.00 175.30 174.36 2kw4 n ILE 74 N -0.57 0.00 0.00 1.52 2.08 -1.26 -3.60 119.36 117.52 2kw4 n ILE 74 Ca -0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2kw4 n ILE 74 Cb 0.66 -0.66 0.00 0.00 -0.75 0.00 0.00 39.64 38.88 2kw4 n ILE 74 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2kw4 n LEU 75 N -2.16 0.00 -4.90 1.39 4.77 -1.26 -2.42 117.00 112.42 2kw4 n LEU 75 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 2kw4 n LEU 75 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2kw4 n LEU 75 CO 0.00 0.00 0.67 -1.00 -1.33 0.00 0.00 177.39 175.73 2kw4 s HIS 76 N 0.00 3.26 0.00 -1.77 3.76 -1.26 -3.83 115.29 115.45 2kw4 s HIS 76 Ca 0.00 0.87 0.00 0.00 -0.15 0.00 0.00 55.06 55.78 2kw4 s HIS 76 Cb 0.00 -2.99 0.00 0.00 1.11 0.00 0.00 32.58 30.70 2kw4 s HIS 76 CO 0.00 -1.10 0.00 -0.40 -0.85 0.00 0.00 174.74 172.39 2kw4 n ASP 77 N -2.88 0.00 0.00 1.40 5.75 -1.26 -4.57 116.55 115.00 2kw4 n ASP 77 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 2kw4 n ASP 77 Cb 0.58 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 2kw4 n ASP 77 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2kw4 n TYR 78 N -2.00 0.00 -2.75 2.11 4.01 -1.25 -3.79 117.16 113.49 2kw4 n TYR 78 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 2kw4 n TYR 78 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 2kw4 n TYR 78 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kw4 s ALA 79 N -0.66 -4.22 0.53 -0.72 0.00 -1.26 -4.72 121.76 110.70 2kw4 s ALA 79 Ca 0.00 0.82 0.33 0.00 0.00 0.00 0.00 51.96 53.11 2kw4 s ALA 79 Cb 0.00 -2.97 1.48 0.00 0.00 0.00 0.00 23.12 21.63 2kw4 s ALA 79 CO 0.00 -2.48 1.84 0.78 0.00 0.00 0.00 175.76 175.90 2kw4 h GLY 80 N 4.94 0.10 1.80 0.00 0.00 -1.81 0.40 103.07 108.50 2kw4 h GLY 80 Ca -0.01 -0.02 -0.24 0.00 0.00 0.00 0.00 47.33 47.06 2kw4 h GLY 80 CO -0.08 -0.01 -1.14 -2.22 0.00 0.00 0.00 176.54 173.10 2kw4 h ILE 81 N 0.04 1.58 0.00 2.60 5.03 -1.94 -3.19 117.51 121.63 2kw4 h ILE 81 Ca 0.50 -3.25 0.00 0.00 -0.12 0.00 0.00 64.86 61.99 2kw4 h ILE 81 Cb 1.94 2.85 0.00 0.00 -3.03 0.00 0.00 36.82 38.58 2kw4 h ILE 81 CO -0.03 0.92 0.00 0.00 -0.68 0.00 0.00 178.15 178.36 2kw4 n ALA 82 N -2.43 1.98 0.37 1.87 0.00 0.13 -3.02 120.51 119.42 2kw4 n ALA 82 Ca -0.04 -0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.14 2kw4 n ALA 82 Cb 0.98 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.86 0.00 0.00 3.04 -1.40 -3.06 116.94 114.66 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 0.26 0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.05 2kw4 h PHE 83 CO 0.00 -0.51 -0.22 -2.67 -2.02 0.00 0.00 178.31 172.89 2kw4 n TRP 84 N -5.45 0.29 -0.04 0.41 2.14 -1.23 -3.83 117.44 109.72 2kw4 n TRP 84 Ca -0.13 0.08 0.24 0.00 2.07 0.00 0.00 57.50 59.77 2kw4 n TRP 84 Cb 0.38 -0.56 0.67 0.00 -0.81 0.00 0.00 31.31 31.00 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 2.82 2.47 -0.71 -1.67 0.00 -1.44 0.29 119.26 121.01 2kw4 h ALA 85 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2kw4 h ALA 85 Cb 0.59 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2kw4 h ALA 85 CO 0.00 -1.04 0.22 0.00 0.00 0.00 0.00 179.25 178.43 2kw4 h THR 86 N 0.00 1.26 -4.44 0.00 1.03 -1.70 -3.14 112.91 105.91 2kw4 h THR 86 Ca 0.32 -0.90 0.00 0.00 -0.01 0.00 0.00 66.41 65.83 2kw4 h THR 86 Cb 1.70 0.49 -0.04 0.00 -1.07 0.00 0.00 68.15 69.23 2kw4 h THR 86 CO -0.00 0.35 -1.04 0.61 -0.01 0.00 0.00 175.52 175.43 2kw4 n GLY 87 N -0.74 -5.24 0.09 2.99 0.00 0.10 -4.93 105.19 97.46 2kw4 n GLY 87 Ca 0.05 0.56 -0.07 0.00 0.00 0.00 0.00 46.02 46.57 2kw4 n GLY 87 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kw4 n GLU 88 N 1.51 0.38 -2.73 1.61 0.00 -1.26 -5.02 120.64 115.14 2kw4 n GLU 88 Ca -0.14 0.15 -0.27 0.00 0.00 0.00 0.00 57.16 56.90 2kw4 n GLU 88 Cb 0.22 -1.17 -0.00 0.00 0.00 0.00 0.00 31.44 30.48 2kw4 n GLU 88 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2kw4 s TRP 89 N -2.40 3.55 -0.93 4.31 0.52 -1.26 -4.95 118.94 117.78 2kw4 s TRP 89 Ca -0.21 0.78 -0.25 0.00 0.02 0.00 0.00 56.10 56.44 2kw4 s TRP 89 Cb 0.03 -2.27 -0.10 0.00 -1.15 0.00 0.00 33.47 29.98 2kw4 s TRP 89 CO 0.31 -0.22 2.11 0.21 0.02 0.00 0.00 176.95 179.37 2kw4 s LYS 90 N -4.62 2.11 0.00 4.98 2.20 -1.26 -4.71 119.74 118.44 2kw4 s LYS 90 Ca 0.47 -0.19 0.29 0.00 -0.36 0.00 0.00 55.97 56.18 2kw4 s LYS 90 Cb -0.10 -4.99 1.71 0.00 -1.51 0.00 0.00 37.83 32.94 2kw4 s LYS 90 CO 0.43 -4.01 2.10 0.00 -0.36 0.00 0.00 175.35 173.51 2kw4 n ALA 91 N 16.08 2.67 -0.45 3.13 0.00 -1.26 -3.97 120.51 136.71 2kw4 n ALA 91 Ca 0.43 -0.18 0.40 0.00 0.00 0.00 0.00 53.44 54.08 2kw4 n ALA 91 Cb 0.46 -1.47 0.74 0.00 0.00 0.00 0.00 19.45 19.18 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 0.01 0.05 -1.96 0.00 3.64 -1.88 0.19 116.57 116.62 2kw4 h LYS 92 Ca 0.00 -0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.99 2kw4 h LYS 92 Cb 0.00 -0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 31.67 2kw4 h LYS 92 CO 0.00 0.03 0.16 0.09 -2.27 0.00 0.00 179.45 177.46 2kw4 n ASN 93 N -4.22 6.09 -0.85 4.20 3.02 -1.25 -4.85 115.26 117.40 2kw4 n ASN 93 Ca 0.32 -2.97 0.00 0.00 -0.03 0.00 0.00 54.58 51.91 2kw4 n ASN 93 Cb 1.46 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 2kw4 n ASN 93 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2kw4 n GLU 94 N 1.32 0.00 -0.10 3.52 2.13 0.05 -5.06 120.64 122.50 2kw4 n GLU 94 Ca 0.44 0.00 0.08 0.00 0.66 0.00 0.00 57.16 58.34 2kw4 n GLU 94 Cb 0.66 0.00 0.13 0.00 0.27 0.00 0.00 31.44 32.50 2kw4 n GLU 94 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2kw4 n PHE 95 N 0.00 0.11 0.02 4.31 -0.00 -1.26 -4.68 117.46 115.95 2kw4 n PHE 95 Ca 0.00 -0.89 -0.19 0.00 -0.00 0.00 0.00 57.45 56.37 2kw4 n PHE 95 Cb 0.00 -0.15 -0.10 0.00 -0.00 0.00 0.00 39.48 39.24 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 0.24 1.31 -0.96 -2.13 2.02 -1.87 -3.25 112.91 108.26 2kw4 h THR 96 Ca 0.00 -2.13 0.21 0.00 0.77 0.00 0.00 66.41 65.26 2kw4 h THR 96 Cb 0.96 2.31 -0.11 0.00 -1.74 0.00 0.00 68.15 69.56 2kw4 h THR 96 CO 0.02 0.65 0.54 -0.61 0.37 0.00 0.00 175.52 176.50 2kw4 h GLN 97 N 0.34 0.61 -1.11 6.66 -0.00 -1.84 0.13 115.11 119.90 2kw4 h GLN 97 Ca -0.10 -0.04 0.31 0.00 -0.00 0.00 0.00 58.65 58.83 2kw4 h GLN 97 Cb 1.53 -0.14 -0.10 0.00 0.00 0.00 0.00 27.48 28.77 2kw4 h GLN 97 CO 0.18 0.40 0.71 0.00 0.00 0.00 0.00 178.83 180.12 2kw4 h ALA 98 N 1.67 2.35 0.06 3.38 0.00 -1.90 -0.51 119.26 124.31 2kw4 h ALA 98 Ca 0.58 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.59 2kw4 h ALA 98 Cb 0.99 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2kw4 h ALA 98 CO -0.43 -0.82 -0.32 -0.92 0.00 0.00 0.00 179.25 176.76 2kw4 h TYR 99 N 0.31 -0.86 -0.84 0.00 3.20 -0.92 -0.06 116.97 117.81 2kw4 h TYR 99 Ca 0.65 0.02 0.24 0.00 3.14 0.00 0.00 58.73 62.79 2kw4 h TYR 99 Cb 1.78 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 40.39 2kw4 h TYR 99 CO -0.00 -0.42 0.61 0.00 -1.64 0.00 0.00 178.16 176.71 2kw4 h ALA 100 N 0.19 2.78 0.00 1.82 0.00 -1.21 -0.46 119.26 122.38 2kw4 h ALA 100 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2kw4 h ALA 100 Cb 0.56 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2kw4 h ALA 100 CO -0.22 -1.04 -0.16 0.87 0.00 0.00 0.00 179.25 178.70 2kw4 h LYS 101 N 0.00 0.10 0.00 0.00 1.57 -1.01 -3.20 116.57 114.04 2kw4 h LYS 101 Ca 0.40 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2kw4 h LYS 101 Cb 1.62 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.96 2kw4 h LYS 101 CO -0.00 0.88 0.00 -0.07 -0.57 0.00 0.00 179.45 179.69 2kw4 h LEU 102 N -0.62 0.00 0.28 2.94 3.38 0.41 -3.07 115.31 118.63 2kw4 h LEU 102 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2kw4 h LEU 102 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2kw4 h LEU 102 CO 0.03 0.00 -0.14 -0.03 0.09 0.00 0.00 178.44 178.39 2kw4 h MET 103 N 0.00 -0.37 -0.41 1.13 4.05 -1.18 -2.92 114.93 115.24 2kw4 h MET 103 Ca 0.00 0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.56 2kw4 h MET 103 Cb 0.12 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 2kw4 h MET 103 CO 0.00 -0.24 0.30 -0.97 0.23 0.00 0.00 176.91 176.22 2kw4 h ASN 104 N -0.38 0.02 -0.75 1.39 -1.24 -1.67 0.27 115.58 113.22 2kw4 h ASN 104 Ca -0.04 0.00 0.15 0.00 0.71 0.00 0.00 56.30 57.13 2kw4 h ASN 104 Cb 0.29 -0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.23 2kw4 h ASN 104 CO 0.06 0.01 0.25 -0.61 -1.29 0.00 0.00 177.43 175.86 2kw4 h GLN 105 N 0.03 0.35 -0.33 6.67 -0.00 -1.42 -2.92 115.11 117.49 2kw4 h GLN 105 Ca 0.20 -0.02 -0.26 0.00 -0.00 0.00 0.00 58.65 58.57 2kw4 h GLN 105 Cb 0.75 -0.08 -0.33 0.00 0.00 0.00 0.00 27.48 27.82 2kw4 h GLN 105 CO -0.01 0.23 -0.92 2.48 0.00 0.00 0.00 178.83 180.61 2kw4 n TYR 106 N -5.07 1.09 -2.94 3.99 0.18 -0.65 -5.07 117.16 108.68 2kw4 n TYR 106 Ca 0.15 -1.64 -0.41 0.00 1.88 0.00 0.00 57.90 57.88 2kw4 n TYR 106 Cb 0.45 -0.24 -0.04 0.00 -0.38 0.00 0.00 39.34 39.13 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 -2.72 4.42 0.00 -3.48 3.00 0.86 -4.42 118.95 116.62 2kw4 s ARG 107 Ca 0.36 1.02 0.00 0.00 -1.00 0.00 0.00 55.73 56.11 2kw4 s ARG 107 Cb 0.37 -3.49 0.00 0.00 0.00 0.00 0.00 34.95 31.83 2kw4 s ARG 107 CO -0.06 -0.07 0.00 0.41 0.00 0.00 0.00 175.30 175.58 2kw4 n GLY 108 N 3.17 0.18 0.08 8.12 0.00 -1.26 -4.96 105.19 110.52 2kw4 n GLY 108 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 1.06 -4.05 -0.61 -0.00 -1.26 -5.02 119.36 109.48 2kw4 n ILE 109 Ca 0.00 -0.58 -0.24 0.00 -0.00 0.00 0.00 62.75 61.94 2kw4 n ILE 109 Cb 0.00 -0.78 -0.06 0.00 -0.00 0.00 0.00 39.64 38.80 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 -2.37 2.66 0.01 4.28 1.13 -1.26 -4.09 117.35 117.71 2kw4 s TYR 110 Ca -0.13 -0.49 0.02 0.00 -1.41 0.00 0.00 57.07 55.06 2kw4 s TYR 110 Cb 0.05 -1.85 -0.01 0.00 -1.10 0.00 0.00 41.96 39.05 2kw4 s TYR 110 CO 0.57 0.21 -0.08 -1.54 -2.51 0.00 0.00 175.55 172.20 2kw4 s SER 111 N -3.91 0.92 0.16 -0.18 1.04 -1.26 -5.00 113.70 105.46 2kw4 s SER 111 Ca 0.41 -0.26 -0.24 0.00 0.48 0.00 0.00 55.95 56.33 2kw4 s SER 111 Cb 0.00 -0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.13 2kw4 s SER 111 CO 0.23 0.01 0.99 -0.36 0.98 0.00 0.00 173.24 175.10 2kw4 s PHE 112 N -0.51 -0.07 0.18 5.02 0.08 -1.26 -4.91 117.98 116.50 2kw4 s PHE 112 Ca -0.00 -0.25 -0.12 0.00 0.12 0.00 0.00 56.93 56.68 2kw4 s PHE 112 Cb -0.05 0.65 -0.07 0.00 -0.57 0.00 0.00 43.02 42.98 2kw4 s PHE 112 CO 0.00 -0.84 0.54 -2.00 -0.10 0.00 0.00 175.22 172.82 2kw4 s GLU 113 N -2.97 3.88 0.49 0.44 2.12 -1.26 -5.04 118.70 116.37 2kw4 s GLU 113 Ca 0.15 0.37 -0.21 0.00 0.36 0.00 0.00 54.97 55.63 2kw4 s GLU 113 Cb -0.01 -2.81 -0.09 0.00 0.26 0.00 0.00 34.13 31.47 2kw4 s GLU 113 CO 0.03 0.42 0.83 1.17 -0.54 0.00 0.00 175.26 177.16 2kw4 n LYS 114 N 0.41 0.95 -4.33 4.30 0.00 -1.26 -4.72 118.16 113.50 2kw4 n LYS 114 Ca -0.03 0.35 -0.26 0.00 0.00 0.00 0.00 58.31 58.37 2kw4 n LYS 114 Cb 0.52 -1.92 -0.13 0.00 0.00 0.00 0.00 35.03 33.51 2kw4 n LYS 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2kw4 s VAL 115 N -1.45 1.95 0.00 3.15 -7.23 -1.26 -4.69 120.40 110.86 2kw4 s VAL 115 Ca 0.67 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 2kw4 s VAL 115 Cb -0.51 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 34.68 2kw4 s VAL 115 CO 0.54 0.01 0.00 0.29 -0.31 0.00 0.00 175.10 175.63 2kw4 n LYS 116 N 1.02 0.00 0.00 4.82 4.76 -1.19 -4.79 118.16 122.78 2kw4 n LYS 116 Ca -0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 2kw4 n LYS 116 Cb 0.53 0.00 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 -1.51 0.00 0.00 7.82 0.00 -1.26 -4.12 120.51 121.43 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 1.58 0.00 0.00 0.00 177.50 179.08 2kw4 n HIS 118 N 0.00 0.00 -1.33 0.00 -0.00 -1.26 -4.28 115.22 108.35 2kw4 n HIS 118 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kw4 n HIS 118 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kw4 n HIS 118 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kw4 n SER 119 N 0.16 0.00 -1.33 0.26 2.88 -1.26 -4.80 113.62 109.52 2kw4 n SER 119 Ca 0.00 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.65 2kw4 n SER 119 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.44 0.00 0.46 0.00 -1.26 -4.78 105.19 106.05 2kw4 n GLY 120 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.01 1.61 5.15 -1.26 -4.92 115.26 115.83 2kw4 n ASN 121 Ca 0.00 -0.55 0.08 0.00 -0.60 0.00 0.00 54.58 53.51 2kw4 n ASN 121 Cb 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 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 0.60 -0.17 1.20 0.28 -1.26 -4.39 120.64 116.89 2kw4 n GLU 122 Ca 0.00 -0.16 0.26 0.00 -0.16 0.00 0.00 57.16 57.11 2kw4 n GLU 122 Cb 0.00 -1.44 0.69 0.00 1.43 0.00 0.00 31.44 32.12 2kw4 n GLU 122 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2kw4 h PHE 123 N 0.00 0.09 0.03 -1.84 3.57 -1.96 0.40 116.94 117.24 2kw4 h PHE 123 Ca -0.03 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.26 2kw4 h PHE 123 Cb 0.92 -0.03 0.02 0.00 2.79 0.00 0.00 35.95 39.66 2kw4 h PHE 123 CO 0.00 0.02 -0.84 -2.95 -2.23 0.00 0.00 178.31 172.31 2kw4 h ASN 124 N 0.07 0.69 -0.34 0.41 -1.07 -1.81 -3.19 115.58 110.34 2kw4 h ASN 124 Ca 0.42 -0.78 0.10 0.00 0.07 0.00 0.00 56.30 56.11 2kw4 h ASN 124 Cb 1.57 -0.21 -0.01 0.00 -2.07 0.00 0.00 38.32 37.59 2kw4 h ASN 124 CO -0.04 1.38 0.45 0.44 0.07 0.00 0.00 177.43 179.74 2kw4 h ASP 125 N 0.07 0.00 -0.85 6.14 3.32 -1.15 -0.01 116.42 123.94 2kw4 h ASP 125 Ca -0.11 0.00 0.24 0.00 0.02 0.00 0.00 57.03 57.17 2kw4 h ASP 125 Cb 1.54 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.05 2kw4 h ASP 125 CO 0.16 0.00 0.60 0.22 -1.72 0.00 0.00 179.24 178.51 2kw4 h TYR 126 N 0.00 0.08 -0.20 4.55 5.03 -1.49 0.27 116.97 125.22 2kw4 h TYR 126 Ca 0.16 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.53 2kw4 h TYR 126 Cb 1.06 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.30 2kw4 h TYR 126 CO 0.00 0.02 0.28 -0.39 -1.32 0.00 0.00 178.16 176.75 2kw4 h VAL 127 N 0.06 0.31 -0.22 1.81 -1.51 -1.22 -1.99 116.25 113.49 2kw4 h VAL 127 Ca 0.41 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.94 2kw4 h VAL 127 Cb 1.54 0.76 -0.06 0.00 -2.13 0.00 0.00 31.29 31.40 2kw4 h VAL 127 CO -0.03 0.00 -0.16 0.44 -1.23 0.00 0.00 177.57 176.59 2kw4 h ASP 128 N 0.00 -0.51 -0.12 4.19 3.32 -0.67 0.31 116.42 122.93 2kw4 h ASP 128 Ca 0.09 0.11 -0.15 0.00 0.02 0.00 0.00 57.03 57.10 2kw4 h ASP 128 Cb 0.66 0.26 0.01 0.00 0.22 0.00 0.00 39.33 40.48 2kw4 h ASP 128 CO -0.00 -0.20 -0.52 -0.03 -1.72 0.00 0.00 179.24 176.77 2kw4 h MET 129 N -0.16 0.58 -0.21 3.56 4.05 -1.56 -3.19 114.93 118.00 2kw4 h MET 129 Ca 0.13 -0.45 0.05 0.00 -0.28 0.00 0.00 59.70 59.14 2kw4 h MET 129 Cb 0.34 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.19 2kw4 h MET 129 CO -0.31 1.08 -0.10 -0.22 0.23 0.00 0.00 176.91 177.59 2kw4 h LYS 130 N 0.21 -0.07 -0.96 0.39 3.11 -1.27 -1.42 116.57 116.56 2kw4 h LYS 130 Ca -0.03 0.00 0.17 0.00 -2.81 0.00 0.00 60.65 57.98 2kw4 h LYS 130 Cb 1.16 0.01 -0.09 0.00 -1.00 0.00 0.00 32.23 32.32 2kw4 h LYS 130 CO 0.11 -0.04 0.61 0.00 -2.81 0.00 0.00 179.45 177.31 2kw4 h ALA 131 N 1.12 1.78 -0.85 5.00 0.00 -0.46 0.75 119.26 126.60 2kw4 h ALA 131 Ca 0.11 0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.23 2kw4 h ALA 131 Cb 0.24 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2kw4 h ALA 131 CO -0.26 -0.08 0.56 -0.22 0.00 0.00 0.00 179.25 179.25 2kw4 h LYS 132 N 0.73 0.46 0.22 0.00 3.64 -1.24 -0.94 116.57 119.44 2kw4 h LYS 132 Ca 0.51 -0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 59.54 2kw4 h LYS 132 Cb 0.82 -0.10 0.04 0.00 -0.41 0.00 0.00 32.23 32.57 2kw4 h LYS 132 CO -0.27 0.31 -1.41 1.03 -2.27 0.00 0.00 179.45 176.84 2kw4 h SER 133 N 0.48 0.86 -0.57 4.20 0.87 -0.83 -2.86 113.55 115.70 2kw4 h SER 133 Ca 0.43 -0.89 0.08 0.00 -1.23 0.00 0.00 61.79 60.17 2kw4 h SER 133 Cb 0.95 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 2kw4 h SER 133 CO -0.17 1.68 0.38 0.00 -0.53 0.00 0.00 176.83 178.20 2kw4 h ALA 134 N 0.19 1.92 0.09 6.23 0.00 -0.70 -2.94 119.26 124.05 2kw4 h ALA 134 Ca -0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kw4 h ALA 134 Cb 2.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2kw4 h ALA 134 CO 0.27 -0.03 -0.04 1.25 0.00 0.00 0.00 179.25 180.69 2kw4 h LEU 135 N 0.47 -0.10 0.00 0.00 6.46 -1.35 -3.50 115.31 117.30 2kw4 h LEU 135 Ca 0.26 -0.35 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2kw4 h LEU 135 Cb 0.39 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 2kw4 h LEU 135 CO -0.07 0.53 0.00 0.61 -0.62 0.00 0.00 178.44 178.89 2kw4 n GLY 136 N 1.26 0.64 3.37 3.75 0.00 -1.08 -5.11 105.19 108.02 2kw4 n GLY 136 Ca -0.05 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 2.29 0.84 -0.61 -1.09 -1.19 -5.03 121.20 116.40 2kw4 s ILE 137 Ca 0.00 -1.31 -0.13 0.00 -2.23 0.00 0.00 60.65 56.98 2kw4 s ILE 137 Cb 0.00 -1.90 0.21 0.00 -1.58 0.00 0.00 42.46 39.19 2kw4 s ILE 137 CO 0.00 0.39 0.47 -2.11 -1.23 0.00 0.00 174.94 172.46 2kw4 n ARG 138 N 1.80 -3.19 -1.21 2.79 0.00 -1.26 -4.87 116.66 110.74 2kw4 n ARG 138 Ca -0.17 -0.80 0.13 0.00 -0.00 0.00 0.00 57.85 57.02 2kw4 n ARG 138 Cb 0.52 -1.10 -0.07 0.00 -0.00 0.00 0.00 32.46 31.80 2kw4 n ARG 138 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kw4 n ASP 139 N -4.06 -6.53 -3.07 2.89 2.03 -1.26 -5.07 116.55 101.47 2kw4 n ASP 139 Ca 0.08 1.25 -0.11 0.00 0.52 0.00 0.00 54.79 56.52 2kw4 n ASP 139 Cb 0.33 -4.11 -0.01 0.00 -0.72 0.00 0.00 41.12 36.61 2kw4 n ASP 139 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2kw4 s LEU 140 N -6.53 0.46 0.00 -2.67 2.34 -1.26 -5.15 118.68 105.87 2kw4 s LEU 140 Ca 0.00 -1.30 -0.20 0.00 0.06 0.00 0.00 54.13 52.70 2kw4 s LEU 140 Cb 0.00 2.23 0.07 0.00 -0.56 0.00 0.00 46.19 47.92 2kw4 s LEU 140 CO 0.00 -1.51 0.90 -0.62 -1.06 0.00 0.00 176.35 174.05 2kw4 n GLU 141 N -0.55 0.21 -3.75 1.48 1.02 -1.26 -5.18 120.64 112.62 2kw4 n GLU 141 Ca -0.04 -0.68 -0.13 0.00 -0.02 0.00 0.00 57.16 56.29 2kw4 n GLU 141 Cb 0.61 1.05 -0.10 0.00 -0.02 0.00 0.00 31.44 32.97 2kw4 n GLU 141 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kw4 s HIS 142 N -2.49 -0.40 -0.29 -0.32 -3.43 -1.26 -5.16 115.29 101.94 2kw4 s HIS 142 Ca 0.21 0.96 -0.30 0.00 -0.80 0.00 0.00 55.06 55.12 2kw4 s HIS 142 Cb -0.01 0.14 0.19 0.00 -1.43 0.00 0.00 32.58 31.47 2kw4 s HIS 142 CO 0.01 -0.21 1.37 -1.58 -2.00 0.00 0.00 174.74 172.32 2kw4 s HIS 143 N 0.09 -0.03 -0.07 0.38 2.46 -1.26 -5.19 115.29 111.67 2kw4 s HIS 143 Ca -0.01 0.04 -0.32 0.00 0.47 0.00 0.00 55.06 55.24 2kw4 s HIS 143 Cb -0.03 0.50 0.14 0.00 -0.13 0.00 0.00 32.58 33.06 2kw4 s HIS 143 CO 0.01 -0.03 1.40 -1.58 -2.47 0.00 0.00 174.74 172.07 2kw4 s HIS 144 N -1.16 -0.01 0.34 3.88 2.46 -1.26 -5.19 115.29 114.35 2kw4 s HIS 144 Ca 0.10 -0.02 -0.16 0.00 0.47 0.00 0.00 55.06 55.45 2kw4 s HIS 144 Cb -0.01 0.51 0.06 0.00 -0.13 0.00 0.00 32.58 33.02 2kw4 s HIS 144 CO -0.07 -0.08 0.81 1.58 -2.47 0.00 0.00 174.74 174.51 2kw4 n HIS 145 N -0.50 -2.12 -3.63 3.88 -0.00 -1.26 -5.18 115.22 106.40 2kw4 n HIS 145 Ca -0.09 -1.68 -0.12 0.00 0.46 0.00 0.00 57.72 56.29 2kw4 n HIS 145 Cb 0.64 0.84 -0.07 0.00 -0.12 0.00 0.00 29.99 31.27 2kw4 n HIS 145 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kw4 s HIS 146 N -2.36 -0.64 0.00 1.57 2.46 -1.26 -5.18 115.29 109.88 2kw4 s HIS 146 Ca 0.17 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.24 2kw4 s HIS 146 Cb -0.04 0.32 0.00 0.00 -0.13 0.00 0.00 32.58 32.73 2kw4 s HIS 146 CO 0.10 -0.32 0.00 -2.39 -2.47 0.00 0.00 174.74 169.66