#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 2.68 0.00 7.83 1.11 -1.26 -4.72 116.67 122.31 2kw4 s ASP 2 Ca 0.00 -0.85 0.00 0.00 0.18 0.00 0.00 52.55 51.88 2kw4 s ASP 2 Cb 0.00 -0.16 0.00 0.00 1.07 0.00 0.00 42.92 43.83 2kw4 s ASP 2 CO 0.00 -0.02 0.00 -0.90 1.18 0.00 0.00 175.17 175.43 2kw4 n ASP 3 N 0.37 0.48 -0.86 0.27 5.75 -1.26 -0.09 116.55 121.21 2kw4 n ASP 3 Ca -0.14 -0.86 -0.05 0.00 -0.01 0.00 0.00 54.79 53.74 2kw4 n ASP 3 Cb 0.57 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.61 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 -1.66 0.11 1.85 -1.26 -4.71 116.66 110.99 2kw4 n ARG 4 Ca 0.00 -0.72 -0.37 0.00 -1.00 0.00 0.00 57.85 55.76 2kw4 n ARG 4 Cb 0.00 0.34 0.07 0.00 -1.05 0.00 0.00 32.46 31.82 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 0.01 4.57 0.00 8.89 -2.24 -1.26 -4.95 114.28 119.29 2kw4 n THR 5 Ca -0.19 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2kw4 n THR 5 Cb 0.65 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 2kw4 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kw4 n GLU 6 N -1.85 0.00 0.00 -0.78 -0.58 -1.26 -4.99 120.64 111.18 2kw4 n GLU 6 Ca 0.15 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.45 2kw4 n GLU 6 Cb 0.48 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 2kw4 n GLU 6 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2kw4 n TYR 7 N -1.90 -0.03 -1.91 -0.32 4.01 -1.26 -5.06 117.16 110.70 2kw4 n TYR 7 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 2kw4 n TYR 7 Cb 0.00 0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 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 1.28 6.54 0.06 7.72 -1.08 -1.26 -2.53 116.67 127.39 2kw4 s ASP 8 Ca 0.00 2.76 -0.16 0.00 -0.52 0.00 0.00 52.55 54.63 2kw4 s ASP 8 Cb 0.00 -2.62 -0.06 0.00 -1.46 0.00 0.00 42.92 38.78 2kw4 s ASP 8 CO 0.00 -0.80 0.49 -0.69 0.52 0.00 0.00 175.17 174.69 2kw4 s VAL 9 N 0.19 4.91 -1.03 1.11 1.01 -1.26 -4.22 120.40 121.11 2kw4 s VAL 9 Ca 0.63 0.93 -0.24 0.00 0.00 0.00 0.00 61.98 63.30 2kw4 s VAL 9 Cb -0.44 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 2kw4 s VAL 9 CO 0.43 0.48 1.98 -0.47 0.00 0.00 0.00 175.10 177.52 2kw4 s TYR 10 N -1.19 1.80 0.43 5.22 5.04 -1.26 -4.84 117.35 122.55 2kw4 s TYR 10 Ca 0.29 0.74 0.03 0.00 -2.44 0.00 0.00 57.07 55.69 2kw4 s TYR 10 Cb -0.17 -3.95 -0.02 0.00 0.35 0.00 0.00 41.96 38.17 2kw4 s TYR 10 CO 0.17 -1.44 0.11 0.95 -1.34 0.00 0.00 175.55 174.00 2kw4 s THR 11 N 11.17 0.68 -0.23 4.34 -4.23 -1.26 -3.76 115.64 122.35 2kw4 s THR 11 Ca 0.71 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.18 2kw4 s THR 11 Cb -0.04 -2.30 0.01 0.00 1.34 0.00 0.00 72.50 71.50 2kw4 s THR 11 CO 0.07 0.00 0.10 0.47 -0.54 0.00 0.00 174.62 174.72 2kw4 n ASP 12 N -1.33 -7.42 0.00 3.99 8.00 -1.19 -4.70 116.55 113.89 2kw4 n ASP 12 Ca -0.08 0.92 0.00 0.00 0.71 0.00 0.00 54.79 56.34 2kw4 n ASP 12 Cb 0.65 -3.93 0.00 0.00 -0.02 0.00 0.00 41.12 37.83 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 0.74 -0.06 3.51 0.44 0.00 -1.26 -4.16 105.19 104.40 2kw4 n GLY 13 Ca 0.01 0.32 0.03 0.00 0.00 0.00 0.00 46.02 46.37 2kw4 n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kw4 s SER 14 N 0.00 -0.08 -0.28 1.61 1.04 -1.26 -4.90 113.70 109.81 2kw4 s SER 14 Ca 0.00 0.13 -0.35 0.00 0.48 0.00 0.00 55.95 56.20 2kw4 s SER 14 Cb 0.00 1.06 0.17 0.00 0.10 0.00 0.00 66.02 67.34 2kw4 s SER 14 CO 0.00 -0.02 1.37 -0.72 0.98 0.00 0.00 173.24 174.85 2kw4 s TYR 15 N 1.37 -0.02 -0.11 5.02 -0.85 -1.26 -2.44 117.35 119.06 2kw4 s TYR 15 Ca -0.06 0.02 -0.03 0.00 -0.52 0.00 0.00 57.07 56.49 2kw4 s TYR 15 Cb -0.02 0.50 0.04 0.00 0.38 0.00 0.00 41.96 42.86 2kw4 s TYR 15 CO -0.12 -0.03 0.04 0.54 -1.52 0.00 0.00 175.55 174.47 2kw4 s VAL 16 N -1.73 0.15 0.00 -3.49 0.11 -1.25 -4.94 120.40 109.25 2kw4 s VAL 16 Ca 0.11 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2kw4 s VAL 16 Cb -0.01 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 2kw4 s VAL 16 CO -0.04 0.04 0.00 -3.20 -3.33 0.00 0.00 175.10 168.56 2kw4 n ASN 17 N 5.21 0.00 -0.54 3.54 2.85 -1.26 -2.12 115.26 122.94 2kw4 n ASN 17 Ca -0.06 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.40 2kw4 n ASN 17 Cb 0.49 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.51 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 0.92 3.69 8.20 0.00 -1.26 -5.14 105.19 111.60 2kw4 n GLY 18 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 0.64 -4.05 1.61 7.27 -0.90 -5.04 117.38 116.92 2kw4 n GLN 19 Ca -0.02 -3.01 -0.16 0.00 0.07 0.00 0.00 57.00 53.88 2kw4 n GLN 19 Cb 0.54 -0.14 -0.15 0.00 2.41 0.00 0.00 30.24 32.89 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 -2.44 0.40 0.08 3.69 1.13 -1.24 -3.90 117.35 115.07 2kw4 s TYR 20 Ca 0.53 -0.06 0.01 0.00 -1.41 0.00 0.00 57.07 56.14 2kw4 s TYR 20 Cb -0.04 -0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 40.42 2kw4 s TYR 20 CO 0.34 -0.08 -0.06 0.00 -2.51 0.00 0.00 175.55 173.24 2kw4 s ALA 21 N 0.46 0.83 -0.08 9.51 0.00 -1.02 -0.09 121.76 131.36 2kw4 s ALA 21 Ca -0.05 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.69 2kw4 s ALA 21 Cb -0.08 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2kw4 s ALA 21 CO -0.01 -0.24 -0.17 1.67 0.00 0.00 0.00 175.76 177.01 2kw4 s TRP 22 N -3.43 1.94 -0.07 0.00 1.48 -0.38 -4.36 118.94 114.11 2kw4 s TRP 22 Ca 0.08 -0.75 -0.06 0.00 -1.06 0.00 0.00 56.10 54.31 2kw4 s TRP 22 Cb 0.04 -1.35 0.03 0.00 -1.16 0.00 0.00 33.47 31.03 2kw4 s TRP 22 CO -0.05 -0.34 0.19 0.00 -4.06 0.00 0.00 176.95 172.69 2kw4 s ALA 23 N 0.51 -0.44 0.43 2.67 0.00 -1.26 -2.96 121.76 120.71 2kw4 s ALA 23 Ca -0.16 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.46 2kw4 s ALA 23 Cb -0.17 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 2kw4 s ALA 23 CO 0.06 -0.12 0.11 1.52 0.00 0.00 0.00 175.76 177.33 2kw4 s TYR 24 N 0.46 1.80 0.02 0.00 1.13 -1.25 -4.10 117.35 115.40 2kw4 s TYR 24 Ca -0.03 -1.24 0.01 0.00 -1.41 0.00 0.00 57.07 54.40 2kw4 s TYR 24 Cb -0.04 -1.24 -0.04 0.00 -1.10 0.00 0.00 41.96 39.54 2kw4 s TYR 24 CO -0.02 -0.22 0.05 0.00 -2.51 0.00 0.00 175.55 172.86 2kw4 s ALA 25 N -3.14 3.48 -0.00 9.51 0.00 -1.26 -4.91 121.76 125.44 2kw4 s ALA 25 Ca 0.20 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 2kw4 s ALA 25 Cb 0.02 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.67 2kw4 s ALA 25 CO 0.12 0.69 0.01 -0.59 0.00 0.00 0.00 175.76 176.00 2kw4 s PHE 26 N -1.21 0.00 -0.15 0.00 -0.71 -1.26 -4.92 117.98 109.74 2kw4 s PHE 26 Ca 0.23 -0.00 -0.11 0.00 -1.04 0.00 0.00 56.93 56.02 2kw4 s PHE 26 Cb -0.12 -0.01 0.05 0.00 -1.21 0.00 0.00 43.02 41.73 2kw4 s PHE 26 CO 0.15 -0.02 0.37 0.08 -1.34 0.00 0.00 175.22 174.45 2kw4 s VAL 27 N -0.10 -0.01 -0.05 -2.49 1.01 -1.26 -3.74 120.40 113.75 2kw4 s VAL 27 Ca -0.01 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2kw4 s VAL 27 Cb -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.84 2kw4 s VAL 27 CO -0.00 0.02 -0.14 -0.54 0.00 0.00 0.00 175.10 174.44 2kw4 s LYS 28 N 0.77 1.58 -0.06 2.72 -0.14 0.83 -4.69 119.74 120.75 2kw4 s LYS 28 Ca -0.05 -0.49 0.00 0.00 -1.36 0.00 0.00 55.97 54.08 2kw4 s LYS 28 Cb -0.06 -1.37 0.00 0.00 -1.68 0.00 0.00 37.83 34.73 2kw4 s LYS 28 CO -0.06 0.15 0.00 -3.47 -0.76 0.00 0.00 175.35 171.22 2kw4 n ASP 29 N 3.37 -4.63 0.00 2.83 -0.08 0.87 -2.09 116.55 116.82 2kw4 n ASP 29 Ca -0.19 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 2kw4 n ASP 29 Cb 0.53 -2.18 0.00 0.00 2.34 0.00 0.00 41.12 41.81 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 -0.85 0.81 3.24 0.27 0.00 -1.25 -4.91 105.19 102.51 2kw4 n GLY 30 Ca -0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.86 0.80 -0.36 1.61 -2.85 -0.89 -4.89 119.74 112.31 2kw4 s LYS 31 Ca 0.00 -0.53 -0.32 0.00 -1.00 0.00 0.00 55.97 54.12 2kw4 s LYS 31 Cb 0.00 0.35 -0.10 0.00 -2.06 0.00 0.00 37.83 36.02 2kw4 s LYS 31 CO 0.00 -0.26 2.25 0.28 0.10 0.00 0.00 175.35 177.73 2kw4 n VAL 32 N 0.56 0.19 0.26 1.79 0.31 -1.26 -0.12 118.33 120.06 2kw4 n VAL 32 Ca -0.18 -0.37 -0.12 0.00 -0.01 0.00 0.00 64.34 63.66 2kw4 n VAL 32 Cb 0.59 -1.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.48 2kw4 n VAL 32 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2kw4 h HIS 33 N 14.03 -0.66 -4.57 3.52 2.76 -1.83 -3.45 115.15 124.94 2kw4 h HIS 33 Ca -0.29 -0.02 -0.33 0.00 -2.20 0.00 0.00 60.37 57.53 2kw4 h HIS 33 Cb 1.29 0.22 -0.13 0.00 1.55 0.00 0.00 27.41 30.34 2kw4 h HIS 33 CO 0.96 -0.39 -0.46 1.52 -1.30 0.00 0.00 177.93 178.27 2kw4 s TYR 34 N -4.04 1.33 -0.10 5.26 1.13 -1.26 -5.01 117.35 114.66 2kw4 s TYR 34 Ca -0.11 -1.43 -0.04 0.00 -1.41 0.00 0.00 57.07 54.08 2kw4 s TYR 34 Cb 0.01 -0.49 0.05 0.00 -1.10 0.00 0.00 41.96 40.43 2kw4 s TYR 34 CO 0.35 -0.84 0.17 -1.83 -2.51 0.00 0.00 175.55 170.89 2kw4 s GLU 35 N -3.67 0.05 0.00 -3.49 -1.05 -1.26 -4.78 118.70 104.49 2kw4 s GLU 35 Ca 0.37 0.52 0.00 0.00 -0.15 0.00 0.00 54.97 55.71 2kw4 s GLU 35 Cb 0.03 -0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.34 2kw4 s GLU 35 CO 0.20 -0.35 0.00 -3.47 0.95 0.00 0.00 175.26 172.59 2kw4 n ASP 36 N 5.32 0.00 -1.46 0.83 -0.08 -1.26 -5.19 116.55 114.71 2kw4 n ASP 36 Ca -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 2kw4 n ASP 36 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 2kw4 n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kw4 n ALA 37 N -0.01 0.00 -3.34 -1.67 0.00 -1.26 -4.84 120.51 109.39 2kw4 n ALA 37 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2kw4 n ALA 37 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.62 -0.46 0.17 0.00 1.01 -1.15 -5.07 116.67 110.53 2kw4 s ASP 38 Ca 0.00 0.24 0.08 0.00 0.71 0.00 0.00 52.55 53.59 2kw4 s ASP 38 Cb 0.00 0.49 -0.04 0.00 1.01 0.00 0.00 42.92 44.38 2kw4 s ASP 38 CO 0.00 -0.70 -0.18 -0.69 0.21 0.00 0.00 175.17 173.81 2kw4 s VAL 39 N -2.24 1.82 0.18 -1.27 1.01 -1.26 -1.25 120.40 117.38 2kw4 s VAL 39 Ca -0.06 -1.93 0.08 0.00 0.00 0.00 0.00 61.98 60.06 2kw4 s VAL 39 Cb -0.01 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2kw4 s VAL 39 CO -0.00 -0.33 -0.15 -0.83 0.00 0.00 0.00 175.10 173.79 2kw4 s GLY 40 N -2.70 1.35 -0.05 4.51 0.00 0.87 -4.93 107.32 106.37 2kw4 s GLY 40 Ca 0.16 -1.55 0.23 0.00 0.00 0.00 0.00 44.72 43.56 2kw4 s GLY 40 CO 0.07 -1.63 1.15 0.58 0.00 0.00 0.00 173.10 173.27 2kw4 n LYS 41 N -0.04 0.34 -2.25 2.90 0.00 -1.26 -3.68 118.16 114.16 2kw4 n LYS 41 Ca -0.11 -2.17 -0.32 0.00 -0.00 0.00 0.00 58.31 55.71 2kw4 n LYS 41 Cb 0.59 -0.23 -0.02 0.00 -0.00 0.00 0.00 35.03 35.37 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 -2.22 6.30 0.01 -5.58 0.01 -1.26 -4.93 114.94 107.28 2kw4 s ASN 42 Ca 0.29 1.66 -0.23 0.00 -0.71 0.00 0.00 52.86 53.88 2kw4 s ASN 42 Cb 0.35 -2.52 -0.17 0.00 0.41 0.00 0.00 41.25 39.32 2kw4 s ASN 42 CO -0.13 -0.81 1.31 1.55 -1.51 0.00 0.00 177.10 177.50 2kw4 h PRO 43 N 0.71 0.20 -0.45 -0.60 0.13 -1.99 -0.17 132.00 129.83 2kw4 h PRO 43 Ca -0.47 -0.10 0.13 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.60 0.63 0.42 0.00 -0.23 0.00 0.00 178.00 179.42 2kw4 h ALA 44 N 0.56 2.23 0.05 -0.56 0.00 -2.00 -0.45 119.26 119.10 2kw4 h ALA 44 Ca 0.01 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 2kw4 h ALA 44 Cb 0.59 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2kw4 h ALA 44 CO 0.02 -0.65 -1.73 0.00 0.00 0.00 0.00 179.25 176.89 2kw4 n ALA 45 N -2.44 0.89 -0.25 0.00 0.00 -1.16 -4.23 120.51 113.32 2kw4 n ALA 45 Ca 0.08 -0.61 0.10 0.00 0.00 0.00 0.00 53.44 53.02 2kw4 n ALA 45 Cb 0.61 -0.54 0.37 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.27 1.80 0.00 0.00 0.00 -0.27 0.24 119.26 120.77 2kw4 h ALA 46 Ca -0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kw4 h ALA 46 Cb 1.67 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2kw4 h ALA 46 CO -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.15 2kw4 h THR 47 N 0.72 0.00 -0.37 0.00 1.03 -1.28 -0.57 112.91 112.44 2kw4 h THR 47 Ca 0.41 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 66.70 2kw4 h THR 47 Cb 0.60 0.83 0.00 0.00 -1.07 0.00 0.00 68.15 68.51 2kw4 h THR 47 CO -0.18 0.00 0.00 0.23 -0.01 0.00 0.00 175.52 175.56 2kw4 n MET 48 N -2.52 3.46 0.00 0.00 2.81 0.84 -5.01 117.12 116.70 2kw4 n MET 48 Ca -0.01 -2.87 0.00 0.00 -1.81 0.00 0.00 57.70 53.01 2kw4 n MET 48 Cb 0.12 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 30.72 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 -0.06 0.00 -0.28 0.03 1.74 -0.22 -0.95 116.66 116.92 2kw4 n ARG 49 Ca 0.23 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 2kw4 n ARG 49 Cb 0.94 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.38 2kw4 n ARG 49 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2kw4 n ASN 50 N 2.48 0.00 0.11 0.55 4.13 -1.26 -4.59 115.26 116.69 2kw4 n ASN 50 Ca 0.00 -1.33 -0.03 0.00 1.68 0.00 0.00 54.58 54.90 2kw4 n ASN 50 Cb 0.00 -0.07 0.12 0.00 -1.54 0.00 0.00 39.78 38.30 2kw4 n ASN 50 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2kw4 h VAL 51 N 4.79 1.46 0.04 2.41 2.07 -1.33 -2.99 116.25 122.69 2kw4 h VAL 51 Ca 0.00 -2.24 -0.00 0.00 0.82 0.00 0.00 66.70 65.28 2kw4 h VAL 51 Cb 1.13 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2kw4 h VAL 51 CO 0.00 0.64 -0.02 0.00 0.02 0.00 0.00 177.57 178.21 2kw4 h ALA 52 N 1.28 -0.06 -0.02 1.67 0.00 -1.81 -3.22 119.26 117.09 2kw4 h ALA 52 Ca -0.01 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2kw4 h ALA 52 Cb 1.19 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kw4 h ALA 52 CO 0.09 -0.14 0.14 0.78 0.00 0.00 0.00 179.25 180.12 2kw4 h GLY 53 N -0.85 0.00 0.38 0.00 0.00 -1.87 0.22 103.07 100.94 2kw4 h GLY 53 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2kw4 h GLY 53 CO 0.01 0.00 -0.09 0.83 0.00 0.00 0.00 176.54 177.29 2kw4 h GLU 54 N 0.00 -0.25 -0.03 4.80 5.08 -1.55 -3.25 114.58 119.39 2kw4 h GLU 54 Ca 0.01 0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.22 2kw4 h GLU 54 Cb 0.29 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2kw4 h GLU 54 CO -0.00 0.15 -0.74 0.82 -1.00 0.00 0.00 179.01 178.24 2kw4 h ILE 55 N -0.88 1.45 -0.92 3.13 2.04 -1.45 -3.14 117.51 117.75 2kw4 h ILE 55 Ca -0.03 -2.34 0.23 0.00 1.00 0.00 0.00 64.86 63.73 2kw4 h ILE 55 Cb 0.51 2.26 -0.06 0.00 -0.74 0.00 0.00 36.82 38.79 2kw4 h ILE 55 CO 0.04 0.68 0.62 0.00 0.00 0.00 0.00 178.15 179.50 2kw4 h ALA 56 N 1.11 2.42 -0.30 1.87 0.00 -0.69 -0.44 119.26 123.23 2kw4 h ALA 56 Ca -0.02 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2kw4 h ALA 56 Cb 1.31 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2kw4 h ALA 56 CO 0.11 -0.71 0.14 0.00 0.00 0.00 0.00 179.25 178.79 2kw4 h ALA 57 N 1.59 0.36 -0.87 0.00 0.00 -1.58 -1.68 119.26 117.09 2kw4 h ALA 57 Ca 0.47 0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.63 2kw4 h ALA 57 Cb 1.39 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 2kw4 h ALA 57 CO -0.14 -0.25 0.60 0.00 0.00 0.00 0.00 179.25 179.47 2kw4 h ALA 58 N 1.16 2.57 0.71 0.00 0.00 -1.25 0.17 119.26 122.63 2kw4 h ALA 58 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2kw4 h ALA 58 Cb 0.06 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kw4 h ALA 58 CO -0.10 -0.84 -0.34 -0.07 0.00 0.00 0.00 179.25 177.90 2kw4 h LEU 59 N 0.15 -0.81 -1.44 0.00 3.38 -1.32 -1.77 115.31 113.50 2kw4 h LEU 59 Ca 0.43 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.41 2kw4 h LEU 59 Cb 1.45 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 2kw4 h LEU 59 CO -0.07 -0.45 0.18 1.88 0.09 0.00 0.00 178.44 180.06 2kw4 h TYR 60 N -1.20 0.54 -0.75 1.13 0.05 -1.30 -0.97 116.97 114.47 2kw4 h TYR 60 Ca -0.10 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.64 2kw4 h TYR 60 Cb 0.73 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 2kw4 h TYR 60 CO 0.01 0.41 0.34 0.00 -1.05 0.00 0.00 178.16 177.88 2kw4 h ALA 61 N 1.64 1.19 0.01 3.88 0.00 -0.67 -1.86 119.26 123.45 2kw4 h ALA 61 Ca 0.14 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2kw4 h ALA 61 Cb 0.08 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2kw4 h ALA 61 CO -0.02 0.61 -0.47 0.28 0.00 0.00 0.00 179.25 179.65 2kw4 h VAL 62 N 1.07 1.49 -0.55 0.00 2.07 -0.66 -0.75 116.25 118.92 2kw4 h VAL 62 Ca 0.26 -2.07 0.09 0.00 0.82 0.00 0.00 66.70 65.80 2kw4 h VAL 62 Cb 0.13 2.73 -0.07 0.00 -1.52 0.00 0.00 31.29 32.56 2kw4 h VAL 62 CO -0.03 0.59 0.14 0.11 0.02 0.00 0.00 177.57 178.39 2kw4 h LYS 63 N -0.30 0.28 0.02 1.57 1.57 -1.09 -1.57 116.57 117.04 2kw4 h LYS 63 Ca -0.06 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.50 2kw4 h LYS 63 Cb 1.21 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 2kw4 h LYS 63 CO 0.09 0.18 -0.94 0.87 -0.57 0.00 0.00 179.45 179.08 2kw4 h LYS 64 N 0.28 0.16 -0.98 3.15 1.79 -1.43 -3.25 116.57 116.29 2kw4 h LYS 64 Ca 0.28 -0.19 0.21 0.00 -2.18 0.00 0.00 60.65 58.77 2kw4 h LYS 64 Cb 0.38 0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 31.00 2kw4 h LYS 64 CO -0.34 0.98 0.62 0.00 -1.08 0.00 0.00 179.45 179.64 2kw4 h ALA 65 N 0.94 1.97 0.00 3.86 0.00 -0.12 0.43 119.26 126.34 2kw4 h ALA 65 Ca -0.05 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2kw4 h ALA 65 Cb 1.61 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2kw4 h ALA 65 CO 0.14 -0.33 -0.47 1.03 0.00 0.00 0.00 179.25 179.62 2kw4 h SER 66 N 0.56 0.00 -0.03 0.00 0.87 -1.50 -0.47 113.55 112.99 2kw4 h SER 66 Ca 0.55 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 61.00 2kw4 h SER 66 Cb 1.14 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2kw4 h SER 66 CO -0.30 0.47 -0.41 1.56 -0.53 0.00 0.00 176.83 177.62 2kw4 h GLN 67 N 0.00 0.33 0.00 2.24 4.20 -0.33 -3.13 115.11 118.41 2kw4 h GLN 67 Ca -0.00 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2kw4 h GLN 67 Cb 0.90 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2kw4 h GLN 67 CO 0.06 0.99 0.00 1.28 -0.67 0.00 0.00 178.83 180.49 2kw4 n LEU 68 N -4.36 0.00 -0.83 1.46 4.32 -0.34 -4.87 117.00 112.37 2kw4 n LEU 68 Ca -0.09 0.24 -0.11 0.00 -0.02 0.00 0.00 56.01 56.02 2kw4 n LEU 68 Cb 0.57 -0.24 -0.05 0.00 -1.62 0.00 0.00 43.42 42.09 2kw4 n LEU 68 CO 0.43 -0.04 -0.10 0.61 -1.22 0.00 0.00 177.39 177.07 2kw4 n GLY 69 N 0.81 1.20 3.70 -0.72 0.00 -0.75 -4.29 105.19 105.14 2kw4 n GLY 69 Ca 0.13 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.36 3.82 0.00 1.61 -7.23 -0.26 -4.68 120.40 111.31 2kw4 s VAL 70 Ca 0.00 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 2kw4 s VAL 70 Cb 0.00 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.94 2kw4 s VAL 70 CO 0.00 -0.26 0.00 0.29 -0.31 0.00 0.00 175.10 174.82 2kw4 n LYS 71 N -0.66 1.77 -3.95 4.82 4.01 -1.26 -4.22 118.16 118.66 2kw4 n LYS 71 Ca -0.08 0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.56 2kw4 n LYS 71 Cb 0.57 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.04 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 -0.37 0.00 -1.67 -0.18 -5.35 -1.26 -5.06 119.36 105.47 2kw4 n ILE 72 Ca 0.00 -1.93 -0.48 0.00 -0.27 0.00 0.00 62.75 60.06 2kw4 n ILE 72 Cb 0.00 1.08 -0.05 0.00 -1.74 0.00 0.00 39.64 38.93 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 -0.57 1.96 -3.53 6.28 3.00 -1.05 -4.77 116.66 117.98 2kw4 n ARG 73 Ca 0.03 0.71 -0.18 0.00 -0.00 0.00 0.00 57.85 58.41 2kw4 n ARG 73 Cb 0.56 -2.48 -0.04 0.00 0.00 0.00 0.00 32.46 30.50 2kw4 n ARG 73 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2kw4 n ILE 74 N 3.91 0.00 -2.71 5.15 -5.35 -1.26 -4.36 119.36 114.73 2kw4 n ILE 74 Ca 0.19 -1.39 0.00 0.00 -0.27 0.00 0.00 62.75 61.28 2kw4 n ILE 74 Cb 0.27 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 2kw4 n ILE 74 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 2kw4 n LEU 75 N 0.00 0.00 -4.50 7.28 7.94 -1.23 -4.28 117.00 122.21 2kw4 n LEU 75 Ca -0.11 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.37 2kw4 n LEU 75 Cb 0.37 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.24 2kw4 n LEU 75 CO 0.20 -0.66 2.02 0.00 -1.11 0.00 0.00 177.39 177.84 2kw4 n HIS 76 N -0.78 1.18 -3.47 1.96 1.44 -1.26 -4.74 115.22 109.56 2kw4 n HIS 76 Ca 0.00 0.26 -0.37 0.00 -2.01 0.00 0.00 57.72 55.60 2kw4 n HIS 76 Cb 0.00 -2.51 -0.08 0.00 0.12 0.00 0.00 29.99 27.52 2kw4 n HIS 76 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2kw4 s ASP 77 N 9.62 6.39 0.06 4.39 2.15 -1.26 -4.95 116.67 133.07 2kw4 s ASP 77 Ca 1.14 0.45 0.16 0.00 0.43 0.00 0.00 52.55 54.73 2kw4 s ASP 77 Cb -0.76 -2.20 0.67 0.00 -0.30 0.00 0.00 42.92 40.33 2kw4 s ASP 77 CO 0.41 -0.00 1.49 0.00 -0.17 0.00 0.00 175.17 176.90 2kw4 n TYR 78 N 4.19 0.19 -0.26 -5.34 4.19 -1.26 -4.05 117.16 114.82 2kw4 n TYR 78 Ca -0.10 0.08 -0.21 0.00 3.31 0.00 0.00 57.90 60.97 2kw4 n TYR 78 Cb 0.51 -0.63 0.21 0.00 0.49 0.00 0.00 39.34 39.93 2kw4 n TYR 78 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2kw4 n ALA 79 N -1.57 -3.71 0.28 2.98 0.00 -1.26 -4.80 120.51 112.43 2kw4 n ALA 79 Ca 0.03 -1.08 0.17 0.00 0.00 0.00 0.00 53.44 52.56 2kw4 n ALA 79 Cb 0.17 -0.10 0.77 0.00 0.00 0.00 0.00 19.45 20.30 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 -2.98 0.00 1.87 0.00 0.00 -0.94 -2.68 103.07 98.34 2kw4 h GLY 80 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2kw4 h GLY 80 CO 0.17 0.00 0.07 -2.22 0.00 0.00 0.00 176.54 174.55 2kw4 h ILE 81 N 0.00 0.04 -0.21 2.60 1.08 -1.86 -0.76 117.51 118.40 2kw4 h ILE 81 Ca -0.00 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.32 2kw4 h ILE 81 Cb 0.42 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 2kw4 h ILE 81 CO 0.00 0.00 -0.49 0.00 -0.69 0.00 0.00 178.15 176.98 2kw4 h ALA 82 N 1.87 0.76 -0.24 1.87 0.00 -1.61 0.29 119.26 122.20 2kw4 h ALA 82 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 2kw4 h ALA 82 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kw4 h ALA 82 CO -0.00 0.67 -0.62 0.35 0.00 0.00 0.00 179.25 179.66 2kw4 h PHE 83 N 0.45 1.05 0.13 0.00 3.57 -1.34 -3.20 116.94 117.59 2kw4 h PHE 83 Ca 0.02 -0.40 -0.30 0.00 3.53 0.00 0.00 57.97 60.83 2kw4 h PHE 83 Cb 1.01 -0.19 0.03 0.00 2.79 0.00 0.00 35.95 39.59 2kw4 h PHE 83 CO 0.04 1.22 -1.26 2.35 -2.23 0.00 0.00 178.31 178.44 2kw4 h TRP 84 N 0.61 0.93 -0.83 0.41 7.01 -1.49 -3.24 115.95 119.34 2kw4 h TRP 84 Ca -0.01 -0.60 0.24 0.00 2.11 0.00 0.00 58.89 60.63 2kw4 h TRP 84 Cb 1.22 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 28.18 2kw4 h TRP 84 CO 0.07 1.45 0.61 0.00 -2.79 0.00 0.00 178.44 177.78 2kw4 h ALA 85 N 0.34 2.77 -0.34 2.65 0.00 -0.46 0.78 119.26 125.00 2kw4 h ALA 85 Ca -0.18 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2kw4 h ALA 85 Cb 1.93 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 2kw4 h ALA 85 CO 0.24 -1.04 -0.21 1.79 0.00 0.00 0.00 179.25 180.02 2kw4 h THR 86 N 0.00 1.29 -5.85 0.00 1.35 -1.57 -3.32 112.91 104.81 2kw4 h THR 86 Ca 0.39 -1.35 -0.07 0.00 -0.55 0.00 0.00 66.41 64.84 2kw4 h THR 86 Cb 1.62 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 2kw4 h THR 86 CO -0.00 0.44 -0.96 0.61 -0.25 0.00 0.00 175.52 175.35 2kw4 n GLY 87 N 0.01 -1.55 0.16 5.82 0.00 0.27 -4.90 105.19 105.00 2kw4 n GLY 87 Ca -0.03 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.49 2kw4 n GLY 87 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kw4 h GLU 88 N 2.93 -0.32 -6.45 1.61 3.07 -1.88 -3.47 114.58 110.06 2kw4 h GLU 88 Ca -0.10 0.02 -0.48 0.00 -0.50 0.00 0.00 59.36 58.30 2kw4 h GLU 88 Cb 0.75 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 2kw4 h GLU 88 CO 0.10 -0.21 -0.23 -1.58 -1.40 0.00 0.00 179.01 175.69 2kw4 s TRP 89 N -2.67 3.49 -0.97 4.33 0.52 -1.26 -4.98 118.94 117.40 2kw4 s TRP 89 Ca -0.05 0.32 -0.25 0.00 0.02 0.00 0.00 56.10 56.14 2kw4 s TRP 89 Cb 0.00 -1.86 -0.10 0.00 -1.15 0.00 0.00 33.47 30.36 2kw4 s TRP 89 CO 0.15 0.18 2.06 0.15 0.02 0.00 0.00 176.95 179.51 2kw4 s LYS 90 N -4.16 2.16 0.00 4.98 1.02 -1.26 -4.70 119.74 117.77 2kw4 s LYS 90 Ca 0.39 -0.37 0.30 0.00 0.02 0.00 0.00 55.97 56.32 2kw4 s LYS 90 Cb -0.10 -5.04 1.75 0.00 -0.52 0.00 0.00 37.83 33.92 2kw4 s LYS 90 CO 0.34 -4.03 2.13 0.00 -0.92 0.00 0.00 175.35 172.87 2kw4 n ALA 91 N 15.81 2.67 -0.14 5.17 0.00 -1.26 -3.92 120.51 138.84 2kw4 n ALA 91 Ca 0.43 -0.21 0.28 0.00 0.00 0.00 0.00 53.44 53.94 2kw4 n ALA 91 Cb 0.46 -1.47 0.69 0.00 0.00 0.00 0.00 19.45 19.13 2kw4 n ALA 91 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2kw4 h LYS 92 N 0.16 0.00 -0.89 0.00 1.57 -1.84 0.23 116.57 115.81 2kw4 h LYS 92 Ca 0.00 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 59.04 2kw4 h LYS 92 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2kw4 h LYS 92 CO 0.00 0.00 0.66 -0.91 -0.57 0.00 0.00 179.45 178.63 2kw4 h ASN 93 N 0.00 0.00 -2.29 0.86 2.35 -1.98 -3.41 115.58 111.11 2kw4 h ASN 93 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 2kw4 h ASN 93 Cb 1.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.32 2kw4 h ASN 93 CO -0.00 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.16 2kw4 n GLU 94 N -4.18 0.18 -0.00 0.81 -0.58 0.81 -5.01 120.64 112.68 2kw4 n GLU 94 Ca 0.18 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 57.03 2kw4 n GLU 94 Cb 0.98 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.74 2kw4 n GLU 94 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2kw4 n PHE 95 N -1.80 0.00 0.05 -0.32 3.72 -1.26 -4.31 117.46 113.54 2kw4 n PHE 95 Ca 0.00 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.61 2kw4 n PHE 95 Cb 0.00 -0.05 0.74 0.00 -0.94 0.00 0.00 39.48 39.23 2kw4 n PHE 95 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 2kw4 h THR 96 N 0.00 0.46 -0.40 4.37 2.02 -1.89 -1.91 112.91 115.55 2kw4 h THR 96 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 2kw4 h THR 96 Cb 0.54 0.66 -0.09 0.00 -1.74 0.00 0.00 68.15 67.52 2kw4 h THR 96 CO 0.00 0.00 -0.23 -0.61 0.37 0.00 0.00 175.52 175.05 2kw4 h GLN 97 N 0.00 -0.16 -0.85 6.66 4.15 -1.75 -0.35 115.11 122.82 2kw4 h GLN 97 Ca 0.22 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.80 2kw4 h GLN 97 Cb 1.11 0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.74 2kw4 h GLN 97 CO -0.00 -0.10 0.44 0.00 -1.93 0.00 0.00 178.83 177.23 2kw4 h ALA 98 N 1.05 1.27 -0.90 3.38 0.00 -1.68 0.40 119.26 122.78 2kw4 h ALA 98 Ca 0.19 0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.36 2kw4 h ALA 98 Cb 0.46 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2kw4 h ALA 98 CO -0.50 -0.08 0.58 1.88 0.00 0.00 0.00 179.25 181.14 2kw4 h TYR 99 N 0.63 0.69 0.00 0.00 0.05 -1.17 0.31 116.97 117.48 2kw4 h TYR 99 Ca 0.46 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 59.15 2kw4 h TYR 99 Cb 0.63 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 2kw4 h TYR 99 CO -0.09 0.21 -0.50 0.00 -1.05 0.00 0.00 178.16 176.72 2kw4 h ALA 100 N 1.61 1.00 -0.05 3.88 0.00 -0.72 -3.18 119.26 121.81 2kw4 h ALA 100 Ca 0.47 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 2kw4 h ALA 100 Cb 0.97 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2kw4 h ALA 100 CO -0.21 0.63 -0.72 0.87 0.00 0.00 0.00 179.25 179.82 2kw4 h LYS 101 N 0.00 0.57 -0.12 0.00 1.79 -0.20 -3.12 116.57 115.49 2kw4 h LYS 101 Ca -0.01 -0.55 0.03 0.00 -2.18 0.00 0.00 60.65 57.95 2kw4 h LYS 101 Cb 0.99 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2kw4 h LYS 101 CO 0.07 1.17 0.29 -0.07 -1.08 0.00 0.00 179.45 179.83 2kw4 h LEU 102 N 0.18 0.00 0.06 2.94 3.38 -1.18 -2.79 115.31 117.90 2kw4 h LEU 102 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2kw4 h LEU 102 Cb 1.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 2kw4 h LEU 102 CO 0.14 0.00 -0.21 -0.03 0.09 0.00 0.00 178.44 178.44 2kw4 h MET 103 N 0.00 -0.29 -0.29 1.13 4.05 -1.59 -1.45 114.93 116.48 2kw4 h MET 103 Ca 0.06 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.58 2kw4 h MET 103 Cb 0.64 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 2kw4 h MET 103 CO -0.00 -0.19 0.22 -0.97 0.23 0.00 0.00 176.91 176.19 2kw4 h ASN 104 N -0.30 0.00 -0.53 1.39 -1.24 -1.70 0.22 115.58 113.42 2kw4 h ASN 104 Ca -0.00 0.00 0.10 0.00 0.71 0.00 0.00 56.30 57.11 2kw4 h ASN 104 Cb 0.30 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.27 2kw4 h ASN 104 CO -0.11 0.00 0.02 -0.61 -1.29 0.00 0.00 177.43 175.45 2kw4 h GLN 105 N 0.00 0.14 -0.40 6.67 -0.00 -1.26 -2.97 115.11 117.28 2kw4 h GLN 105 Ca 0.14 -0.01 -0.30 0.00 -0.00 0.00 0.00 58.65 58.48 2kw4 h GLN 105 Cb 0.57 -0.03 -0.32 0.00 0.00 0.00 0.00 27.48 27.71 2kw4 h GLN 105 CO -0.00 0.09 -0.84 2.48 0.00 0.00 0.00 178.83 180.56 2kw4 n TYR 106 N -5.22 1.40 -1.50 3.99 0.18 -0.79 -5.08 117.16 110.15 2kw4 n TYR 106 Ca 0.06 -1.81 -0.30 0.00 1.88 0.00 0.00 57.90 57.74 2kw4 n TYR 106 Cb 0.29 -0.27 0.09 0.00 -0.38 0.00 0.00 39.34 39.07 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 -3.09 2.17 0.00 -3.48 1.04 0.72 -4.50 118.95 111.81 2kw4 s ARG 107 Ca 0.40 0.75 0.00 0.00 -1.04 0.00 0.00 55.73 55.85 2kw4 s ARG 107 Cb 0.38 -1.92 0.00 0.00 -2.04 0.00 0.00 34.95 31.37 2kw4 s ARG 107 CO -0.03 -1.59 0.00 0.41 -0.04 0.00 0.00 175.30 174.05 2kw4 n GLY 108 N -1.91 3.23 0.18 3.88 0.00 -1.26 -4.88 105.19 104.42 2kw4 n GLY 108 Ca 0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.30 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 1.33 -1.83 -0.61 -2.65 -1.96 -3.45 117.51 108.33 2kw4 h ILE 109 Ca 0.00 -1.58 -0.60 0.00 1.03 0.00 0.00 64.86 63.71 2kw4 h ILE 109 Cb 0.00 1.78 -0.13 0.00 -2.05 0.00 0.00 36.82 36.42 2kw4 h ILE 109 CO 0.00 0.46 -0.52 -0.72 0.03 0.00 0.00 178.15 177.40 2kw4 s TYR 110 N -4.04 1.83 -0.04 0.16 1.13 -1.26 -4.18 117.35 110.95 2kw4 s TYR 110 Ca -0.03 -1.16 -0.16 0.00 -1.41 0.00 0.00 57.07 54.31 2kw4 s TYR 110 Cb 0.13 -1.33 0.03 0.00 -1.10 0.00 0.00 41.96 39.70 2kw4 s TYR 110 CO 0.76 -0.10 0.36 -1.12 -2.51 0.00 0.00 175.55 172.94 2kw4 s SER 111 N -3.70 -0.27 0.21 -0.18 0.01 -1.26 -4.96 113.70 103.54 2kw4 s SER 111 Ca 0.18 0.24 -0.21 0.00 1.31 0.00 0.00 55.95 57.47 2kw4 s SER 111 Cb 0.02 0.40 0.04 0.00 0.21 0.00 0.00 66.02 66.70 2kw4 s SER 111 CO 0.11 -0.42 0.63 -0.36 0.41 0.00 0.00 173.24 173.60 2kw4 s PHE 112 N -1.10 -0.33 0.58 2.43 0.08 -1.26 -3.51 117.98 114.87 2kw4 s PHE 112 Ca -0.11 0.00 -0.08 0.00 0.12 0.00 0.00 56.93 56.86 2kw4 s PHE 112 Cb -0.04 0.58 0.13 0.00 -0.57 0.00 0.00 43.02 43.12 2kw4 s PHE 112 CO 0.04 -1.00 0.79 0.39 -0.10 0.00 0.00 175.22 175.34 2kw4 n GLU 113 N -0.40 -0.61 -0.80 0.44 1.02 -1.26 -4.95 120.64 114.07 2kw4 n GLU 113 Ca -0.11 -1.39 -0.33 0.00 -0.02 0.00 0.00 57.16 55.31 2kw4 n GLU 113 Cb 0.62 -0.77 0.12 0.00 -0.02 0.00 0.00 31.44 31.39 2kw4 n GLU 113 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2kw4 n LYS 114 N -2.64 -0.45 -3.68 3.49 4.81 -1.26 -4.97 118.16 113.45 2kw4 n LYS 114 Ca 0.10 -0.10 -0.10 0.00 -0.87 0.00 0.00 58.31 57.35 2kw4 n LYS 114 Cb 0.37 -1.72 -0.10 0.00 0.02 0.00 0.00 35.03 33.60 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 -2.32 -0.26 0.00 3.15 -7.23 -1.25 -4.17 120.40 108.32 2kw4 s VAL 115 Ca 0.54 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 2kw4 s VAL 115 Cb -0.19 -0.63 0.00 0.00 0.56 0.00 0.00 36.38 36.12 2kw4 s VAL 115 CO 0.69 0.05 0.00 0.29 -0.31 0.00 0.00 175.10 175.82 2kw4 n LYS 116 N 4.69 0.00 0.00 4.82 4.76 -1.26 -4.89 118.16 126.28 2kw4 n LYS 116 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 2kw4 n LYS 116 Cb 0.53 -0.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 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 -1.58 0.00 -0.71 7.82 0.00 -1.26 -3.88 120.51 120.89 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 -0.21 -1.37 -1.24 0.00 -0.00 -1.26 -4.60 115.22 106.54 2kw4 n HIS 118 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2kw4 n HIS 118 Cb 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 2kw4 n HIS 118 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kw4 n SER 119 N -3.29 -6.76 0.00 0.26 7.64 -1.26 -4.75 113.62 105.46 2kw4 n SER 119 Ca 0.00 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.75 2kw4 n SER 119 Cb 0.00 -2.98 0.00 0.00 -1.01 0.00 0.00 64.21 60.22 2kw4 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kw4 n GLY 120 N 0.29 2.29 1.64 0.23 0.00 -1.26 -4.56 105.19 103.82 2kw4 n GLY 120 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2kw4 n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kw4 n ASN 121 N 0.00 0.05 -0.10 1.61 3.02 -1.26 -4.89 115.26 113.69 2kw4 n ASN 121 Ca 0.00 0.06 -0.12 0.00 -0.03 0.00 0.00 54.58 54.49 2kw4 n ASN 121 Cb 0.00 0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.06 2kw4 n ASN 121 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2kw4 n GLU 122 N -2.67 0.85 -0.19 3.52 2.13 -1.26 -4.28 120.64 118.75 2kw4 n GLU 122 Ca 0.00 0.05 0.26 0.00 0.66 0.00 0.00 57.16 58.13 2kw4 n GLU 122 Cb 0.00 -1.47 0.67 0.00 0.27 0.00 0.00 31.44 30.91 2kw4 n GLU 122 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 2kw4 h PHE 123 N 0.00 0.14 0.03 4.31 0.04 -1.93 0.43 116.94 119.96 2kw4 h PHE 123 Ca -0.51 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.06 2kw4 h PHE 123 Cb 2.00 -0.04 0.02 0.00 2.20 0.00 0.00 35.95 40.13 2kw4 h PHE 123 CO 0.01 0.03 -0.84 -0.91 -0.60 0.00 0.00 178.31 176.00 2kw4 h ASN 124 N 0.10 0.68 -0.37 2.17 4.21 -1.83 0.13 115.58 120.68 2kw4 h ASN 124 Ca 0.44 -0.78 0.11 0.00 1.21 0.00 0.00 56.30 57.27 2kw4 h ASN 124 Cb 1.57 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 38.54 2kw4 h ASN 124 CO -0.05 1.38 0.51 0.44 -1.29 0.00 0.00 177.43 178.42 2kw4 h ASP 125 N 0.06 0.00 -0.85 5.81 3.32 -1.07 0.34 116.42 124.04 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 0.09 -0.17 4.55 5.03 -1.50 0.31 116.97 125.28 2kw4 h TYR 126 Ca 0.18 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.54 2kw4 h TYR 126 Cb 1.20 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.45 2kw4 h TYR 126 CO 0.00 0.02 0.24 -0.39 -1.32 0.00 0.00 178.16 176.71 2kw4 h VAL 127 N 0.07 0.34 -0.04 1.81 -1.51 -1.15 -1.61 116.25 114.15 2kw4 h VAL 127 Ca 0.41 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.88 2kw4 h VAL 127 Cb 1.53 0.80 -0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2kw4 h VAL 127 CO -0.03 0.00 0.02 -0.78 -1.23 0.00 0.00 177.57 175.55 2kw4 h ASP 128 N 0.00 0.05 -0.13 4.19 1.82 -0.59 0.30 116.42 122.06 2kw4 h ASP 128 Ca 0.08 -0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.58 2kw4 h ASP 128 Cb 0.55 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.55 2kw4 h ASP 128 CO -0.00 0.07 -0.33 -0.03 -1.61 0.00 0.00 179.24 177.34 2kw4 h MET 129 N 0.02 0.44 -0.75 0.28 4.05 -1.48 -1.88 114.93 115.62 2kw4 h MET 129 Ca 0.01 -0.31 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 2kw4 h MET 129 Cb 0.03 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.84 2kw4 h MET 129 CO -0.00 0.93 0.48 -0.22 0.23 0.00 0.00 176.91 178.32 2kw4 h LYS 130 N 0.04 0.99 -0.06 0.39 3.11 -1.37 -2.16 116.57 117.51 2kw4 h LYS 130 Ca -0.01 -0.07 -0.18 0.00 -2.81 0.00 0.00 60.65 57.59 2kw4 h LYS 130 Cb 0.94 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.95 2kw4 h LYS 130 CO 0.07 0.67 -0.74 0.00 -2.81 0.00 0.00 179.45 176.64 2kw4 h ALA 131 N 1.51 0.62 -1.01 5.00 0.00 -0.39 -3.20 119.26 121.80 2kw4 h ALA 131 Ca 0.27 -0.62 0.17 0.00 0.00 0.00 0.00 54.91 54.73 2kw4 h ALA 131 Cb -0.09 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.53 2kw4 h ALA 131 CO -0.06 0.78 0.62 0.87 0.00 0.00 0.00 179.25 181.47 2kw4 h LYS 132 N 0.22 0.82 -0.42 0.00 1.57 -0.65 0.17 116.57 118.28 2kw4 h LYS 132 Ca -0.03 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2kw4 h LYS 132 Cb 1.31 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 2kw4 h LYS 132 CO 0.12 0.54 0.29 0.77 -0.57 0.00 0.00 179.45 180.60 2kw4 h SER 133 N 0.85 0.24 -0.87 0.86 0.02 -1.53 -1.62 113.55 111.51 2kw4 h SER 133 Ca 0.55 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.64 2kw4 h SER 133 Cb 0.76 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 63.16 2kw4 h SER 133 CO -0.34 0.16 0.48 0.00 -1.14 0.00 0.00 176.83 175.98 2kw4 h ALA 134 N 1.78 1.30 0.19 3.77 0.00 -0.80 -3.07 119.26 122.42 2kw4 h ALA 134 Ca 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2kw4 h ALA 134 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kw4 h ALA 134 CO -0.04 0.00 -0.09 -0.07 0.00 0.00 0.00 179.25 179.05 2kw4 h LEU 135 N 0.72 -0.21 0.00 0.00 3.38 -1.39 -3.44 115.31 114.37 2kw4 h LEU 135 Ca 0.45 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.43 2kw4 h LEU 135 Cb 0.57 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2kw4 h LEU 135 CO -0.32 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.03 2kw4 n GLY 136 N 1.11 0.00 3.78 0.83 0.00 -1.04 -5.15 105.19 104.72 2kw4 n GLY 136 Ca -0.03 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 0.00 3.38 0.00 -0.61 -1.09 -1.22 -5.04 121.20 116.63 2kw4 s ILE 137 Ca 0.00 0.80 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 2kw4 s ILE 137 Cb 0.00 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 2kw4 s ILE 137 CO 0.00 -0.24 0.00 -2.11 -1.23 0.00 0.00 174.94 171.36 2kw4 n ARG 138 N -1.49 -1.89 -1.91 2.79 1.85 -1.26 -4.88 116.66 109.87 2kw4 n ARG 138 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 2kw4 n ARG 138 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 2kw4 n ARG 138 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2kw4 n ASP 139 N -2.98 0.00 -2.30 2.89 -0.08 -1.26 -5.03 116.55 107.79 2kw4 n ASP 139 Ca 0.00 -0.97 -0.03 0.00 -1.51 0.00 0.00 54.79 52.28 2kw4 n ASP 139 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 2kw4 n ASP 139 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2kw4 n LEU 140 N 0.00 -5.67 0.00 -2.67 0.00 -1.26 -5.09 117.00 102.31 2kw4 n LEU 140 Ca 0.00 2.16 -0.00 0.00 0.00 0.00 0.00 56.01 58.17 2kw4 n LEU 140 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 43.42 40.50 2kw4 n LEU 140 CO 0.00 -3.03 0.01 -1.84 0.00 0.00 0.00 177.39 172.53 2kw4 n GLU 141 N 1.49 0.01 -1.32 1.96 0.28 -1.26 -5.17 120.64 116.63 2kw4 n GLU 141 Ca -0.21 -0.02 -0.30 0.00 -0.16 0.00 0.00 57.16 56.47 2kw4 n GLU 141 Cb 0.33 0.03 0.13 0.00 1.43 0.00 0.00 31.44 33.36 2kw4 n GLU 141 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2kw4 s HIS 142 N -6.25 2.44 0.36 -1.84 3.76 -1.26 -5.07 115.29 107.43 2kw4 s HIS 142 Ca 0.00 1.16 -0.17 0.00 -0.15 0.00 0.00 55.06 55.91 2kw4 s HIS 142 Cb -0.00 -3.18 0.06 0.00 1.11 0.00 0.00 32.58 30.57 2kw4 s HIS 142 CO 0.00 -2.29 0.84 -1.01 -0.85 0.00 0.00 174.74 171.43 2kw4 s HIS 143 N -3.02 0.13 0.24 1.40 3.76 -1.26 -5.19 115.29 111.35 2kw4 s HIS 143 Ca 0.63 -0.77 0.02 0.00 -0.15 0.00 0.00 55.06 54.78 2kw4 s HIS 143 Cb -0.17 0.83 -0.01 0.00 1.11 0.00 0.00 32.58 34.34 2kw4 s HIS 143 CO 0.56 -1.48 0.06 0.72 -0.85 0.00 0.00 174.74 173.75 2kw4 n HIS 144 N -0.57 0.24 0.00 1.40 8.25 -1.26 -5.12 115.22 118.16 2kw4 n HIS 144 Ca -0.08 -1.45 0.00 0.00 -0.26 0.00 0.00 57.72 55.93 2kw4 n HIS 144 Cb 0.60 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.65 2kw4 n HIS 144 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kw4 n HIS 145 N -0.57 0.00 -3.85 4.41 8.25 -1.26 -5.17 115.22 117.03 2kw4 n HIS 145 Ca -0.06 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.38 2kw4 n HIS 145 Cb 0.35 0.10 0.02 0.00 1.12 0.00 0.00 29.99 31.58 2kw4 n HIS 145 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kw4 n HIS 146 N -1.80 -1.28 0.09 4.41 8.25 -1.26 -5.40 115.22 118.23 2kw4 n HIS 146 Ca 0.00 -1.14 0.01 0.00 -0.26 0.00 0.00 57.72 56.33 2kw4 n HIS 146 Cb 0.00 0.56 0.01 0.00 1.12 0.00 0.00 29.99 31.67 2kw4 n HIS 146 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70