#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jw4 n SER 2 N 0.00 0.46 -4.59 1.61 7.64 -1.26 -4.71 113.62 112.78 2jw4 n SER 2 Ca 0.00 -1.26 -0.49 0.00 1.01 0.00 0.00 58.87 58.13 2jw4 n SER 2 Cb 0.00 -1.56 -0.06 0.00 -1.01 0.00 0.00 64.21 61.59 2jw4 n SER 2 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2jw4 n THR 3 N -4.56 0.38 -4.63 0.44 -1.04 -1.26 -4.94 114.28 98.67 2jw4 n THR 3 Ca -0.30 -0.21 -0.29 0.00 -2.04 0.00 0.00 64.05 61.21 2jw4 n THR 3 Cb 0.67 -1.83 -0.08 0.00 -1.82 0.00 0.00 70.33 67.27 2jw4 n THR 3 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2jw4 s MET 4 N 5.16 2.04 1.30 -2.82 0.00 -1.26 -5.14 119.30 118.58 2jw4 s MET 4 Ca 1.01 -2.27 -0.20 0.00 0.00 0.00 0.00 55.69 54.23 2jw4 s MET 4 Cb -0.74 -1.07 0.30 0.00 0.00 0.00 0.00 34.83 33.33 2jw4 s MET 4 CO 0.50 -0.40 0.71 0.00 0.00 0.00 0.00 175.02 175.83 2jw4 n ALA 5 N -1.06 -3.72 -2.60 4.11 0.00 -1.26 -4.96 120.51 111.02 2jw4 n ALA 5 Ca -0.12 -1.59 -0.41 0.00 0.00 0.00 0.00 53.44 51.33 2jw4 n ALA 5 Cb 0.66 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 2jw4 n ALA 5 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jw4 s GLU 6 N -4.47 3.12 0.34 0.00 2.02 -1.26 -5.07 118.70 113.38 2jw4 s GLU 6 Ca 0.59 -0.90 0.04 0.00 0.02 0.00 0.00 54.97 54.73 2jw4 s GLU 6 Cb -0.13 -3.84 0.04 0.00 0.10 0.00 0.00 34.13 30.31 2jw4 s GLU 6 CO 0.53 -0.62 0.37 0.39 0.02 0.00 0.00 175.26 175.95 2jw4 n GLU 7 N 5.09 0.88 -4.86 1.61 1.02 -1.26 -5.13 120.64 117.98 2jw4 n GLU 7 Ca -0.12 -1.98 -0.31 0.00 -0.02 0.00 0.00 57.16 54.73 2jw4 n GLU 7 Cb 0.48 0.03 -0.14 0.00 -0.02 0.00 0.00 31.44 31.79 2jw4 n GLU 7 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jw4 s VAL 8 N -1.40 2.69 -0.00 2.62 1.01 -1.26 -5.09 120.40 118.96 2jw4 s VAL 8 Ca 0.28 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 61.26 2jw4 s VAL 8 Cb -0.02 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2jw4 s VAL 8 CO 0.18 0.46 -0.15 0.68 0.00 0.00 0.00 175.10 176.27 2jw4 s VAL 9 N -0.80 1.18 0.03 2.92 -7.23 -1.26 -1.29 120.40 113.95 2jw4 s VAL 9 Ca 0.13 -0.70 0.06 0.00 -1.81 0.00 0.00 61.98 59.65 2jw4 s VAL 9 Cb -0.10 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.82 2jw4 s VAL 9 CO 0.02 0.28 -0.18 0.68 -0.31 0.00 0.00 175.10 175.60 2jw4 s VAL 10 N -0.43 1.41 -0.21 1.32 -7.23 -0.49 -0.03 120.40 114.73 2jw4 s VAL 10 Ca 0.05 -1.03 -0.02 0.00 -1.81 0.00 0.00 61.98 59.17 2jw4 s VAL 10 Cb -0.06 -1.23 0.00 0.00 0.56 0.00 0.00 36.38 35.65 2jw4 s VAL 10 CO -0.00 0.18 -0.08 0.54 -0.31 0.00 0.00 175.10 175.42 2jw4 s VAL 11 N -0.72 2.99 0.44 1.32 0.11 0.30 0.06 120.40 124.90 2jw4 s VAL 11 Ca 0.05 -0.66 -0.25 0.00 -2.93 0.00 0.00 61.98 58.19 2jw4 s VAL 11 Cb -0.08 -2.36 -0.08 0.00 -1.53 0.00 0.00 36.38 32.33 2jw4 s VAL 11 CO 0.01 0.43 1.40 0.00 -3.33 0.00 0.00 175.10 173.60 2jw4 s ALA 12 N 1.42 3.23 -0.19 1.54 0.00 -1.07 -3.37 121.76 123.32 2jw4 s ALA 12 Ca 0.05 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.44 2jw4 s ALA 12 Cb -0.14 -3.56 -0.22 0.00 0.00 0.00 0.00 23.12 19.20 2jw4 s ALA 12 CO -0.06 -1.11 0.08 1.63 0.00 0.00 0.00 175.76 176.31 2jw4 n LYS 13 N -0.15 0.69 -3.83 0.00 5.02 -0.51 -2.04 118.16 117.34 2jw4 n LYS 13 Ca 0.05 0.18 -0.21 0.00 -2.02 0.00 0.00 58.31 56.31 2jw4 n LYS 13 Cb 0.42 -1.61 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 2jw4 n LYS 13 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2jw4 n PHE 14 N -3.25 0.57 -3.72 2.13 3.01 -1.26 -4.30 117.46 110.65 2jw4 n PHE 14 Ca -0.37 -1.80 -0.37 0.00 1.01 0.00 0.00 57.45 55.92 2jw4 n PHE 14 Cb 1.04 -0.15 -0.06 0.00 -0.01 0.00 0.00 39.48 40.29 2jw4 n PHE 14 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 2jw4 s ASP 15 N -2.91 6.47 0.02 4.37 1.47 -1.26 -3.12 116.67 121.72 2jw4 s ASP 15 Ca 0.05 0.56 0.01 0.00 1.18 0.00 0.00 52.55 54.35 2jw4 s ASP 15 Cb 0.00 -2.13 -0.02 0.00 -0.34 0.00 0.00 42.92 40.43 2jw4 s ASP 15 CO 0.04 0.31 -0.04 -0.47 0.68 0.00 0.00 175.17 175.69 2jw4 s TYR 16 N -0.64 0.36 -0.32 2.11 5.04 -1.26 -4.97 117.35 117.68 2jw4 s TYR 16 Ca 0.16 -0.48 -0.03 0.00 -2.44 0.00 0.00 57.07 54.29 2jw4 s TYR 16 Cb -0.13 -0.24 0.05 0.00 0.35 0.00 0.00 41.96 41.99 2jw4 s TYR 16 CO 0.05 -0.15 0.04 0.08 -1.34 0.00 0.00 175.55 174.24 2jw4 s VAL 17 N -1.32 3.16 -0.97 3.14 1.01 -1.26 -2.80 120.40 121.35 2jw4 s VAL 17 Ca -0.13 -1.40 -0.13 0.00 0.00 0.00 0.00 61.98 60.32 2jw4 s VAL 17 Cb -0.09 -2.84 -0.31 0.00 0.00 0.00 0.00 36.38 33.14 2jw4 s VAL 17 CO -0.01 -0.17 2.23 0.00 0.00 0.00 0.00 175.10 177.15 2jw4 n ALA 18 N 4.65 0.98 -0.09 5.51 0.00 -1.25 -4.76 120.51 125.54 2jw4 n ALA 18 Ca -0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 53.44 52.44 2jw4 n ALA 18 Cb 0.43 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 2jw4 n ALA 18 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2jw4 h GLN 19 N 11.37 -0.07 -7.00 0.00 7.50 -1.91 -3.41 115.11 121.60 2jw4 h GLN 19 Ca 0.02 0.00 -0.48 0.00 0.50 0.00 0.00 58.65 58.70 2jw4 h GLN 19 Cb 1.13 0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.68 2jw4 h GLN 19 CO 1.54 -0.04 0.25 -1.14 -1.50 0.00 0.00 178.83 177.93 2jw4 s GLN 20 N -3.87 3.94 0.65 1.46 0.74 -1.26 -4.94 119.66 116.38 2jw4 s GLN 20 Ca -0.04 0.78 0.42 0.00 0.05 0.00 0.00 55.36 56.57 2jw4 s GLN 20 Cb 0.03 -2.26 2.28 0.00 1.10 0.00 0.00 33.01 34.15 2jw4 s GLN 20 CO 0.21 -0.10 2.33 1.05 -0.55 0.00 0.00 175.29 178.22 2jw4 h GLU 21 N 1.35 0.00 0.06 1.67 4.11 -2.02 -1.56 114.58 118.19 2jw4 h GLU 21 Ca -0.47 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.70 2jw4 h GLU 21 Cb 1.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.45 2jw4 h GLU 21 CO 0.63 0.00 -1.09 0.37 0.07 0.00 0.00 179.01 178.99 2jw4 h GLN 22 N 0.00 0.49 -7.26 1.06 4.15 -1.92 -3.46 115.11 108.17 2jw4 h GLN 22 Ca -0.00 -0.60 -0.46 0.00 0.77 0.00 0.00 58.65 58.35 2jw4 h GLN 22 Cb 0.05 0.19 0.18 0.00 0.21 0.00 0.00 27.48 28.11 2jw4 h GLN 22 CO 0.00 1.23 0.15 -1.21 -1.93 0.00 0.00 178.83 177.07 2jw4 s GLU 23 N -3.09 0.25 0.09 1.69 2.02 -0.59 -3.86 118.70 115.20 2jw4 s GLU 23 Ca -0.07 0.85 0.07 0.00 0.02 0.00 0.00 54.97 55.84 2jw4 s GLU 23 Cb 0.07 -1.69 -0.04 0.00 0.10 0.00 0.00 34.13 32.57 2jw4 s GLU 23 CO 0.90 -2.94 -0.10 -1.17 0.02 0.00 0.00 175.26 171.97 2jw4 s LEU 24 N -6.68 3.03 0.10 1.80 0.20 -1.24 -4.70 118.68 111.19 2jw4 s LEU 24 Ca 0.66 -0.36 -0.23 0.00 0.69 0.00 0.00 54.13 54.89 2jw4 s LEU 24 Cb -0.21 -1.81 -0.07 0.00 -0.43 0.00 0.00 46.19 43.67 2jw4 s LEU 24 CO 0.60 0.20 0.71 1.51 -0.29 0.00 0.00 176.35 179.07 2jw4 s ASP 25 N -2.06 7.24 0.52 3.68 1.47 -1.26 -3.92 116.67 122.33 2jw4 s ASP 25 Ca 0.20 1.47 0.02 0.00 1.18 0.00 0.00 52.55 55.42 2jw4 s ASP 25 Cb -0.11 -2.45 0.00 0.00 -0.34 0.00 0.00 42.92 40.03 2jw4 s ASP 25 CO 0.12 0.17 0.08 0.27 0.68 0.00 0.00 175.17 176.50 2jw4 s ILE 26 N -0.80 1.19 -0.14 2.11 -4.36 -1.12 -4.96 121.20 113.11 2jw4 s ILE 26 Ca 0.34 -1.90 -0.16 0.00 -0.26 0.00 0.00 60.65 58.68 2jw4 s ILE 26 Cb -0.21 -2.09 0.04 0.00 1.25 0.00 0.00 42.46 41.44 2jw4 s ILE 26 CO 0.23 0.00 0.43 -0.75 0.24 0.00 0.00 174.94 175.09 2jw4 s LYS 27 N -3.97 0.55 -0.14 0.37 2.47 -1.26 -4.00 119.74 113.75 2jw4 s LYS 27 Ca 0.09 0.48 -0.35 0.00 -1.56 0.00 0.00 55.97 54.64 2jw4 s LYS 27 Cb 0.00 0.26 -0.12 0.00 -1.46 0.00 0.00 37.83 36.52 2jw4 s LYS 27 CO 0.05 -0.09 1.90 1.17 0.16 0.00 0.00 175.35 178.55 2jw4 n LYS 28 N 2.56 1.96 -2.70 4.03 4.81 -1.18 -1.29 118.16 126.35 2jw4 n LYS 28 Ca -0.15 0.70 -0.06 0.00 -0.87 0.00 0.00 58.31 57.94 2jw4 n LYS 28 Cb 0.57 -2.58 0.02 0.00 0.02 0.00 0.00 35.03 33.06 2jw4 n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2jw4 n ASN 29 N 6.91 -2.89 -4.01 3.14 2.85 -0.87 -4.99 115.26 115.40 2jw4 n ASN 29 Ca 0.25 -0.14 -0.31 0.00 -0.11 0.00 0.00 54.58 54.27 2jw4 n ASN 29 Cb 0.27 -1.61 -0.15 0.00 1.24 0.00 0.00 39.78 39.53 2jw4 n ASN 29 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2jw4 s GLU 30 N -5.15 2.05 0.47 1.20 2.56 -0.41 -4.97 118.70 114.45 2jw4 s GLU 30 Ca 0.12 -1.06 -0.23 0.00 0.00 0.00 0.00 54.97 53.79 2jw4 s GLU 30 Cb -0.05 -2.64 -0.07 0.00 2.00 0.00 0.00 34.13 33.37 2jw4 s GLU 30 CO 0.18 -0.51 1.23 1.03 -0.56 0.00 0.00 175.26 176.63 2jw4 s ARG 31 N 1.28 3.66 0.09 4.30 3.00 -1.26 -2.60 118.95 127.43 2jw4 s ARG 31 Ca -0.05 1.95 -0.03 0.00 0.00 0.00 0.00 55.73 57.60 2jw4 s ARG 31 Cb -0.18 -2.44 -0.03 0.00 0.00 0.00 0.00 34.95 32.30 2jw4 s ARG 31 CO -0.07 -0.68 0.06 -0.51 0.00 0.00 0.00 175.30 174.10 2jw4 s LEU 32 N -3.03 1.95 -0.29 2.53 1.43 0.11 -4.87 118.68 116.51 2jw4 s LEU 32 Ca 0.64 -1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 2jw4 s LEU 32 Cb -0.33 0.43 -0.04 0.00 0.03 0.00 0.00 46.19 46.28 2jw4 s LEU 32 CO 0.40 -0.69 0.19 0.26 0.23 0.00 0.00 176.35 176.74 2jw4 s TRP 33 N -3.96 3.21 0.00 0.29 0.51 -0.92 -1.40 118.94 116.67 2jw4 s TRP 33 Ca 0.14 -0.01 -0.30 0.00 -2.12 0.00 0.00 56.10 53.81 2jw4 s TRP 33 Cb 0.07 -2.39 -0.03 0.00 -0.81 0.00 0.00 33.47 30.31 2jw4 s TRP 33 CO -0.05 -0.23 0.97 -1.17 -0.51 0.00 0.00 176.95 175.97 2jw4 s LEU 34 N 1.74 4.38 -0.01 2.99 2.96 -0.41 0.86 118.68 131.18 2jw4 s LEU 34 Ca 0.07 1.66 -0.04 0.00 -0.22 0.00 0.00 54.13 55.60 2jw4 s LEU 34 Cb -0.16 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 2jw4 s LEU 34 CO 0.10 -0.25 -0.08 0.18 -1.32 0.00 0.00 176.35 174.99 2jw4 n LEU 35 N 3.85 0.78 -4.12 -0.68 4.77 -0.71 -4.40 117.00 116.49 2jw4 n LEU 35 Ca 0.06 0.12 -0.33 0.00 -0.03 0.00 0.00 56.01 55.82 2jw4 n LEU 35 Cb 0.51 -0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 41.09 2jw4 n LEU 35 CO 0.52 -0.53 -0.42 -1.81 -1.33 0.00 0.00 177.39 173.81 2jw4 s ASP 36 N -5.33 4.52 -0.23 -1.43 1.11 -1.14 -4.96 116.67 109.22 2jw4 s ASP 36 Ca -0.06 -1.27 0.11 0.00 0.18 0.00 0.00 52.55 51.50 2jw4 s ASP 36 Cb 0.01 -1.61 0.44 0.00 1.07 0.00 0.00 42.92 42.83 2jw4 s ASP 36 CO 0.09 -0.20 1.29 -0.90 1.18 0.00 0.00 175.17 176.63 2jw4 n ASP 37 N 4.53 1.94 -0.09 0.27 5.68 -1.26 -0.25 116.55 127.36 2jw4 n ASP 37 Ca -0.14 -3.85 -0.23 0.00 -0.50 0.00 0.00 54.79 50.07 2jw4 n ASP 37 Cb 0.43 -0.56 -0.12 0.00 -1.14 0.00 0.00 41.12 39.74 2jw4 n ASP 37 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2jw4 n SER 38 N -1.13 1.98 -4.80 -1.12 7.64 -1.26 -4.96 113.62 109.98 2jw4 n SER 38 Ca 0.23 0.21 -0.34 0.00 1.01 0.00 0.00 58.87 59.98 2jw4 n SER 38 Cb 0.78 -0.76 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 2jw4 n SER 38 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jw4 s LYS 39 N -2.49 3.61 0.21 1.43 -0.14 -1.26 -4.91 119.74 116.19 2jw4 s LYS 39 Ca -0.31 1.33 -0.05 0.00 -1.36 0.00 0.00 55.97 55.57 2jw4 s LYS 39 Cb 0.09 -2.07 0.36 0.00 -1.68 0.00 0.00 37.83 34.54 2jw4 s LYS 39 CO 0.61 -0.59 1.13 0.43 -0.76 0.00 0.00 175.35 176.17 2jw4 n SER 40 N -1.35 -0.23 -4.68 2.83 7.64 -1.26 -3.93 113.62 112.64 2jw4 n SER 40 Ca 0.09 1.24 -0.41 0.00 1.01 0.00 0.00 58.87 60.81 2jw4 n SER 40 Cb 0.52 -0.39 -0.05 0.00 -1.01 0.00 0.00 64.21 63.29 2jw4 n SER 40 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2jw4 s TRP 41 N -5.87 3.46 -0.49 1.43 0.52 -1.26 -4.67 118.94 112.07 2jw4 s TRP 41 Ca -0.11 1.19 -0.28 0.00 0.02 0.00 0.00 56.10 56.92 2jw4 s TRP 41 Cb 0.20 -2.91 0.03 0.00 -1.15 0.00 0.00 33.47 29.64 2jw4 s TRP 41 CO 0.56 -0.13 1.09 -1.58 0.02 0.00 0.00 176.95 176.92 2jw4 s TRP 42 N 1.69 2.81 -0.01 -1.98 0.52 0.10 -4.70 118.94 117.38 2jw4 s TRP 42 Ca 0.36 0.59 -0.30 0.00 0.02 0.00 0.00 56.10 56.77 2jw4 s TRP 42 Cb -0.17 -4.34 -0.03 0.00 -1.15 0.00 0.00 33.47 27.78 2jw4 s TRP 42 CO 0.14 -1.27 1.02 0.50 0.02 0.00 0.00 176.95 177.35 2jw4 s ARG 43 N 4.35 4.52 0.33 4.98 3.52 0.65 -1.69 118.95 135.60 2jw4 s ARG 43 Ca 0.45 1.47 0.03 0.00 -0.13 0.00 0.00 55.73 57.55 2jw4 s ARG 43 Cb -0.08 -3.46 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 2jw4 s ARG 43 CO 0.30 -0.12 0.09 0.14 -0.81 0.00 0.00 175.30 174.89 2jw4 s VAL 44 N 1.18 0.86 0.12 7.11 -7.23 -0.75 -1.73 120.40 119.96 2jw4 s VAL 44 Ca 0.53 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.79 2jw4 s VAL 44 Cb -0.22 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 2jw4 s VAL 44 CO 0.27 0.00 -0.24 -0.60 -0.31 0.00 0.00 175.10 174.22 2jw4 s ARG 45 N -3.88 1.29 0.37 4.82 3.52 0.25 -2.26 118.95 123.05 2jw4 s ARG 45 Ca 0.34 -1.29 0.08 0.00 -0.13 0.00 0.00 55.73 54.73 2jw4 s ARG 45 Cb 0.07 -1.68 -0.03 0.00 -1.56 0.00 0.00 34.95 31.75 2jw4 s ARG 45 CO 0.15 0.39 0.26 1.21 -0.81 0.00 0.00 175.30 176.50 2jw4 s ASN 46 N -2.05 4.96 0.63 -2.12 3.84 -0.24 -2.16 114.94 117.80 2jw4 s ASN 46 Ca 0.11 -0.71 0.39 0.00 0.21 0.00 0.00 52.86 52.87 2jw4 s ASN 46 Cb -0.10 -0.74 2.13 0.00 -0.55 0.00 0.00 41.25 41.99 2jw4 s ASN 46 CO 0.05 -0.44 2.29 0.77 -2.79 0.00 0.00 177.10 176.98 2jw4 h SER 47 N 1.29 0.00 0.00 -4.21 4.64 -1.89 -0.20 113.55 113.18 2jw4 h SER 47 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2jw4 h SER 47 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2jw4 h SER 47 CO 0.61 0.01 0.00 0.23 -0.87 0.00 0.00 176.83 176.81 2jw4 n MET 48 N -3.28 0.96 -0.53 4.77 2.81 -1.26 -4.82 117.12 115.78 2jw4 n MET 48 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 2jw4 n MET 48 Cb 0.11 -1.07 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 2jw4 n MET 48 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2jw4 n ASN 49 N -0.57 0.00 -4.82 7.83 4.05 -0.09 -4.98 115.26 116.68 2jw4 n ASN 49 Ca 0.03 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.76 2jw4 n ASN 49 Cb 0.01 -0.60 0.09 0.00 1.23 0.00 0.00 39.78 40.51 2jw4 n ASN 49 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2jw4 s LYS 50 N -0.18 2.04 0.05 1.20 1.02 -1.25 -4.81 119.74 117.82 2jw4 s LYS 50 Ca 0.00 0.50 -0.06 0.00 0.02 0.00 0.00 55.97 56.44 2jw4 s LYS 50 Cb 0.00 -1.92 -0.01 0.00 -0.52 0.00 0.00 37.83 35.37 2jw4 s LYS 50 CO 0.00 -1.62 0.10 0.99 -0.92 0.00 0.00 175.35 173.90 2jw4 s THR 51 N -3.25 0.15 -0.16 2.17 2.01 -1.26 -1.08 115.64 114.23 2jw4 s THR 51 Ca 0.61 -1.25 -0.34 0.00 0.31 0.00 0.00 61.69 61.02 2jw4 s THR 51 Cb -0.14 -1.15 0.13 0.00 0.01 0.00 0.00 72.50 71.36 2jw4 s THR 51 CO 0.53 -0.69 1.19 -0.83 -0.69 0.00 0.00 174.62 174.13 2jw4 s GLY 52 N -2.49 -0.31 0.13 4.40 0.00 -0.96 -4.55 107.32 103.53 2jw4 s GLY 52 Ca 0.00 1.48 -0.20 0.00 0.00 0.00 0.00 44.72 46.00 2jw4 s GLY 52 CO -0.07 0.49 0.65 -1.36 0.00 0.00 0.00 173.10 172.80 2jw4 s PHE 53 N -2.48 3.78 -0.01 1.90 0.08 -1.25 -1.82 117.98 118.19 2jw4 s PHE 53 Ca 0.09 1.36 -0.17 0.00 0.12 0.00 0.00 56.93 58.34 2jw4 s PHE 53 Cb -0.01 -2.57 0.03 0.00 -0.57 0.00 0.00 43.02 39.90 2jw4 s PHE 53 CO -0.05 0.51 0.36 0.14 -0.10 0.00 0.00 175.22 176.08 2jw4 s VAL 54 N -1.23 0.05 -0.05 -0.44 -7.23 -0.68 -3.65 120.40 107.17 2jw4 s VAL 54 Ca 0.34 -0.44 -0.30 0.00 -1.81 0.00 0.00 61.98 59.78 2jw4 s VAL 54 Cb -0.19 -0.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.98 2jw4 s VAL 54 CO 0.21 -0.24 1.49 -2.16 -0.31 0.00 0.00 175.10 174.09 2jw4 s PRO 55 N -1.52 4.23 0.32 4.82 0.04 -1.26 0.02 135.00 141.65 2jw4 s PRO 55 Ca -0.12 2.01 0.15 0.00 0.04 0.00 0.00 61.00 63.09 2jw4 s PRO 55 Cb -0.04 -3.77 0.84 0.00 0.04 0.00 0.00 34.50 31.58 2jw4 s PRO 55 CO 0.04 -0.71 1.40 -1.13 0.04 0.00 0.00 177.00 176.64 2jw4 n SER 56 N 6.30 0.40 0.04 6.66 3.41 -1.26 -0.30 113.62 128.87 2jw4 n SER 56 Ca 0.15 0.62 0.07 0.00 -0.26 0.00 0.00 58.87 59.45 2jw4 n SER 56 Cb 0.43 -0.60 0.32 0.00 -0.26 0.00 0.00 64.21 64.10 2jw4 n SER 56 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2jw4 n ASN 57 N -2.10 0.19 -0.02 4.04 5.15 -1.26 -2.19 115.26 119.06 2jw4 n ASN 57 Ca -0.01 0.56 0.03 0.00 -0.60 0.00 0.00 54.58 54.55 2jw4 n ASN 57 Cb 0.23 -0.59 -0.10 0.00 -0.53 0.00 0.00 39.78 38.79 2jw4 n ASN 57 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2jw4 n TYR 58 N -1.72 0.00 -4.25 1.20 4.02 0.59 -4.99 117.16 112.02 2jw4 n TYR 58 Ca 0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.64 2jw4 n TYR 58 Cb 0.15 -0.40 -0.06 0.00 -0.02 0.00 0.00 39.34 39.00 2jw4 n TYR 58 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2jw4 s VAL 59 N -2.72 1.85 -0.28 -0.72 -7.23 -0.93 -1.42 120.40 108.95 2jw4 s VAL 59 Ca -0.05 -1.73 -0.18 0.00 -1.81 0.00 0.00 61.98 58.20 2jw4 s VAL 59 Cb 0.07 -2.59 0.10 0.00 0.56 0.00 0.00 36.38 34.53 2jw4 s VAL 59 CO 0.54 0.00 0.82 -0.70 -0.31 0.00 0.00 175.10 175.45 2jw4 s GLU 60 N -3.98 0.61 0.44 4.82 2.12 -1.22 -4.81 118.70 116.68 2jw4 s GLU 60 Ca 0.31 0.95 -0.25 0.00 0.36 0.00 0.00 54.97 56.33 2jw4 s GLU 60 Cb 0.02 0.17 -0.08 0.00 0.26 0.00 0.00 34.13 34.50 2jw4 s GLU 60 CO 0.17 -0.11 1.36 -0.98 -0.54 0.00 0.00 175.26 175.16 2jw4 s ARG 61 N 1.19 3.78 1.05 4.30 1.70 -1.26 -0.54 118.95 129.16 2jw4 s ARG 61 Ca -0.07 2.26 -0.15 0.00 -0.47 0.00 0.00 55.73 57.31 2jw4 s ARG 61 Cb -0.05 -2.66 0.11 0.00 -0.57 0.00 0.00 34.95 31.78 2jw4 s ARG 61 CO -0.14 -0.68 0.40 1.17 -1.08 0.00 0.00 175.30 174.97 2jw4 n LYS 62 N -0.12 -1.16 -1.76 3.89 4.81 0.95 -4.85 118.16 119.92 2jw4 n LYS 62 Ca 0.05 -0.31 -0.01 0.00 -0.87 0.00 0.00 58.31 57.17 2jw4 n LYS 62 Cb 0.43 -1.89 0.04 0.00 0.02 0.00 0.00 35.03 33.63 2jw4 n LYS 62 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2jw4 n ASN 63 N -2.28 -0.59 -4.57 3.14 2.85 -1.26 -5.02 115.26 107.52 2jw4 n ASN 63 Ca 0.04 -1.40 -0.34 0.00 -0.11 0.00 0.00 54.58 52.77 2jw4 n ASN 63 Cb 0.57 0.26 -0.04 0.00 1.24 0.00 0.00 39.78 41.82 2jw4 n ASN 63 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2jw4 s SER 64 N -0.47 5.79 -1.23 1.20 0.01 -1.26 -4.88 113.70 112.86 2jw4 s SER 64 Ca 0.03 -1.52 -0.13 0.00 1.31 0.00 0.00 55.95 55.65 2jw4 s SER 64 Cb 0.16 -2.57 0.17 0.00 0.21 0.00 0.00 66.02 63.98 2jw4 s SER 64 CO -0.05 -2.21 1.56 0.00 0.41 0.00 0.00 173.24 172.95 2jw4 n ALA 65 N 11.71 4.26 -1.80 1.44 0.00 -1.26 -4.81 120.51 130.05 2jw4 n ALA 65 Ca 0.42 -4.26 0.00 0.00 0.00 0.00 0.00 53.44 49.60 2jw4 n ALA 65 Cb 0.48 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 16.88 2jw4 n ALA 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jw4 n ARG 66 N 5.23 -4.68 -0.11 0.00 1.74 -1.26 -4.24 116.66 113.34 2jw4 n ARG 66 Ca 0.38 3.40 -0.05 0.00 -0.77 0.00 0.00 57.85 60.80 2jw4 n ARG 66 Cb 0.41 -3.56 0.01 0.00 -1.02 0.00 0.00 32.46 28.30 2jw4 n ARG 66 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jw4 h ALA 67 N 3.59 0.24 -0.18 7.54 0.00 -2.01 -0.16 119.26 128.28 2jw4 h ALA 67 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2jw4 h ALA 67 Cb 0.00 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2jw4 h ALA 67 CO 0.00 -0.46 0.14 0.00 0.00 0.00 0.00 179.25 178.93 2jw4 n ALA 68 N -2.70 3.83 -0.27 0.00 0.00 -1.26 -4.54 120.51 115.56 2jw4 n ALA 68 Ca 0.02 -0.59 0.06 0.00 0.00 0.00 0.00 53.44 52.93 2jw4 n ALA 68 Cb 0.22 -1.12 0.16 0.00 0.00 0.00 0.00 19.45 18.71 2jw4 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jw4 h ALA 69 N 1.46 0.78 -0.69 0.00 0.00 -1.19 -3.42 119.26 116.20 2jw4 h ALA 69 Ca 0.11 0.27 -0.58 0.00 0.00 0.00 0.00 54.91 54.71 2jw4 h ALA 69 Cb 1.13 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 19.35 2jw4 h ALA 69 CO 0.25 -0.44 -0.34 -0.80 0.00 0.00 0.00 179.25 177.93 2jw4 s ASN 70 N -5.18 4.60 -1.24 0.00 0.01 -1.26 -5.02 114.94 106.85 2jw4 s ASN 70 Ca -0.14 -1.24 -0.20 0.00 -0.71 0.00 0.00 52.86 50.58 2jw4 s ASN 70 Cb 0.23 0.30 0.01 0.00 0.41 0.00 0.00 41.25 42.20 2jw4 s ASN 70 CO 0.76 -1.01 1.79 -0.44 -1.51 0.00 0.00 177.10 176.68 2jw4 s SER 71 N -4.21 6.19 0.00 -1.22 0.01 -1.26 -5.13 113.70 108.08 2jw4 s SER 71 Ca 0.33 -2.09 0.00 0.00 1.31 0.00 0.00 55.95 55.50 2jw4 s SER 71 Cb -0.01 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2jw4 s SER 71 CO 0.20 -1.85 0.00 -0.24 0.41 0.00 0.00 173.24 171.76