#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw4 s GLN 2 N 0.00 0.89 0.04 3.49 -0.21 -1.26 -2.00 119.66 120.61 1bw4 s GLN 2 Ca 0.00 -0.27 0.06 0.00 0.02 0.00 0.00 55.36 55.17 1bw4 s GLN 2 Cb 0.00 -1.70 -0.02 0.00 1.00 0.00 0.00 33.01 32.29 1bw4 s GLN 2 CO 0.00 -0.46 -0.16 0.00 -2.12 0.00 0.00 175.29 172.55 1bw4 s ALA 3 N 1.83 1.38 0.32 6.09 0.00 -1.05 -5.06 121.76 125.27 1bw4 s ALA 3 Ca 0.02 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.12 1bw4 s ALA 3 Cb -0.15 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.66 1bw4 s ALA 3 CO -0.07 0.29 0.07 -0.80 0.00 0.00 0.00 175.76 175.25 1bw4 s ASN 4 N -1.07 2.21 -0.70 0.00 0.02 -1.26 -2.62 114.94 111.52 1bw4 s ASN 4 Ca 0.04 -1.40 -0.15 0.00 -1.02 0.00 0.00 52.86 50.33 1bw4 s ASN 4 Cb -0.08 -0.00 0.02 0.00 0.02 0.00 0.00 41.25 41.21 1bw4 s ASN 4 CO 0.01 -0.65 0.29 -0.90 0.02 0.00 0.00 177.10 175.87 1bw4 n ASP 5 N -0.69 -1.64 -4.75 -1.22 5.75 -1.25 -4.88 116.55 107.87 1bw4 n ASP 5 Ca -0.02 -0.71 -0.35 0.00 -0.01 0.00 0.00 54.79 53.69 1bw4 n ASP 5 Cb 0.66 -0.86 -0.08 0.00 -1.03 0.00 0.00 41.12 39.82 1bw4 n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1bw4 s VAL 6 N -4.11 5.39 -1.20 2.12 1.01 -0.88 -4.93 120.40 117.80 1bw4 s VAL 6 Ca 0.21 0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 1bw4 s VAL 6 Cb -0.12 -3.44 0.07 0.00 0.00 0.00 0.00 36.38 32.89 1bw4 s VAL 6 CO 0.54 0.47 1.63 -0.13 0.00 0.00 0.00 175.10 177.60 1bw4 s ARG 7 N 0.11 3.86 0.14 2.72 0.52 -1.26 -2.08 118.95 122.97 1bw4 s ARG 7 Ca 0.09 -1.75 -0.29 0.00 -0.52 0.00 0.00 55.73 53.26 1bw4 s ARG 7 Cb -0.11 -5.45 -0.07 0.00 0.52 0.00 0.00 34.95 29.84 1bw4 s ARG 7 CO -0.01 -2.21 0.93 0.00 0.02 0.00 0.00 175.30 174.03 1bw4 s ALA 8 N 4.32 3.29 0.52 2.13 0.00 0.15 -4.85 121.76 127.32 1bw4 s ALA 8 Ca 0.51 0.55 0.03 0.00 0.00 0.00 0.00 51.96 53.05 1bw4 s ALA 8 Cb 0.02 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.95 1bw4 s ALA 8 CO 0.02 0.06 0.73 0.95 0.00 0.00 0.00 175.76 177.51 1bw4 s THR 9 N -0.36 2.72 -0.26 0.00 -4.23 -1.26 0.14 115.64 112.38 1bw4 s THR 9 Ca 0.44 -0.76 -0.03 0.00 -1.18 0.00 0.00 61.69 60.16 1bw4 s THR 9 Cb -0.24 -2.96 0.09 0.00 1.34 0.00 0.00 72.50 70.73 1bw4 s THR 9 CO 0.30 0.00 0.10 -0.72 -0.54 0.00 0.00 174.62 173.76 1bw4 s TYR 10 N -2.66 0.76 -0.07 3.99 1.13 -1.22 -4.76 117.35 114.52 1bw4 s TYR 10 Ca 0.57 -1.01 0.01 0.00 -1.41 0.00 0.00 57.07 55.23 1bw4 s TYR 10 Cb -0.10 -1.09 0.02 0.00 -1.10 0.00 0.00 41.96 39.69 1bw4 s TYR 10 CO 0.37 -0.76 -0.07 -1.58 -2.51 0.00 0.00 175.55 171.00 1bw4 s HIS 11 N 1.95 1.14 -0.04 -3.49 2.46 -1.14 -4.97 115.29 111.19 1bw4 s HIS 11 Ca 0.07 -0.44 0.05 0.00 0.47 0.00 0.00 55.06 55.21 1bw4 s HIS 11 Cb -0.16 -0.95 -0.02 0.00 -0.13 0.00 0.00 32.58 31.31 1bw4 s HIS 11 CO -0.26 -0.32 -0.18 1.52 -2.47 0.00 0.00 174.74 173.04 1bw4 s TYR 12 N 1.18 2.60 -0.10 3.88 1.13 -1.26 -1.34 117.35 123.44 1bw4 s TYR 12 Ca -0.06 -0.25 -0.03 0.00 -1.41 0.00 0.00 57.07 55.33 1bw4 s TYR 12 Cb -0.14 -1.60 -0.03 0.00 -1.10 0.00 0.00 41.96 39.09 1bw4 s TYR 12 CO -0.02 0.12 0.01 -0.47 -2.51 0.00 0.00 175.55 172.68 1bw4 s TYR 13 N -0.68 3.19 -1.23 -3.49 5.04 0.66 -4.89 117.35 115.96 1bw4 s TYR 13 Ca 0.11 0.17 -0.16 0.00 -2.44 0.00 0.00 57.07 54.75 1bw4 s TYR 13 Cb -0.11 -1.84 0.13 0.00 0.35 0.00 0.00 41.96 40.50 1bw4 s TYR 13 CO 0.00 0.43 1.54 1.03 -1.34 0.00 0.00 175.55 177.21 1bw4 s ARG 14 N -0.70 4.02 0.24 4.97 0.52 -1.24 0.10 118.95 126.86 1bw4 s ARG 14 Ca 0.11 -2.30 -0.06 0.00 -0.52 0.00 0.00 55.73 52.96 1bw4 s ARG 14 Cb -0.12 -5.24 0.30 0.00 0.52 0.00 0.00 34.95 30.41 1bw4 s ARG 14 CO 0.02 -1.96 1.86 -1.00 0.02 0.00 0.00 175.30 174.24 1bw4 h PRO 15 N 7.43 0.97 -1.33 3.54 0.13 -1.73 -0.97 132.00 140.04 1bw4 h PRO 15 Ca 0.36 -0.06 0.46 0.00 -0.87 0.00 0.00 66.00 65.89 1bw4 h PRO 15 Cb 0.88 -0.22 -0.14 0.00 0.13 0.00 0.00 31.00 31.65 1bw4 h PRO 15 CO 1.32 0.64 0.85 0.00 -0.23 0.00 0.00 178.00 180.58 1bw4 n ALA 16 N -2.35 1.32 -0.05 -0.56 0.00 -1.26 -2.67 120.51 114.94 1bw4 n ALA 16 Ca 0.11 0.85 -0.01 0.00 0.00 0.00 0.00 53.44 54.39 1bw4 n ALA 16 Cb 0.14 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 1bw4 n ALA 16 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bw4 n GLN 17 N -4.68 -0.05 -3.30 0.00 7.27 -0.37 -2.76 117.38 113.48 1bw4 n GLN 17 Ca 0.39 0.21 -0.25 0.00 0.07 0.00 0.00 57.00 57.42 1bw4 n GLN 17 Cb 1.52 -0.31 -0.08 0.00 2.41 0.00 0.00 30.24 33.78 1bw4 n GLN 17 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1bw4 n ASN 18 N -3.74 1.18 -3.95 1.69 5.15 -1.09 -4.95 115.26 109.55 1bw4 n ASN 18 Ca 0.00 -2.88 -0.28 0.00 -0.60 0.00 0.00 54.58 50.82 1bw4 n ASN 18 Cb 0.03 -0.64 -0.05 0.00 -0.53 0.00 0.00 39.78 38.58 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bw4 n ASN 19 N 1.42 -0.37 -2.98 1.20 2.85 -1.11 -0.57 115.26 115.70 1bw4 n ASN 19 Ca 0.24 -1.01 -0.18 0.00 -0.11 0.00 0.00 54.58 53.53 1bw4 n ASN 19 Cb 0.49 -1.24 -0.03 0.00 1.24 0.00 0.00 39.78 40.24 1bw4 n ASN 19 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1bw4 n TRP 20 N -3.91 -1.15 -1.34 1.20 7.02 -1.16 -4.75 117.44 113.37 1bw4 n TRP 20 Ca -0.21 0.29 -0.24 0.00 -1.02 0.00 0.00 57.50 56.32 1bw4 n TRP 20 Cb 0.51 -1.10 -0.04 0.00 -2.42 0.00 0.00 31.31 28.26 1bw4 n TRP 20 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1bw4 n ASP 21 N -1.40 6.40 0.00 -0.99 -0.08 0.27 -4.71 116.55 116.04 1bw4 n ASP 21 Ca 0.05 -3.13 0.00 0.00 -1.51 0.00 0.00 54.79 50.20 1bw4 n ASP 21 Cb 0.35 -1.21 0.00 0.00 2.34 0.00 0.00 41.12 42.61 1bw4 n ASP 21 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bw4 n LEU 22 N 0.86 0.00 0.26 -2.67 -0.00 -1.26 -0.59 117.00 113.60 1bw4 n LEU 22 Ca 0.45 0.16 0.09 0.00 -0.00 0.00 0.00 56.01 56.71 1bw4 n LEU 22 Cb 0.58 -0.16 0.68 0.00 -0.00 0.00 0.00 43.42 44.52 1bw4 n LEU 22 CO 0.33 -0.16 1.08 1.23 -0.00 0.00 0.00 177.39 179.87 1bw4 h GLY 23 N 0.00 0.00 -6.84 1.47 0.00 -1.84 -2.59 103.07 93.27 1bw4 h GLY 23 Ca 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 47.33 46.55 1bw4 h GLY 23 CO 0.00 0.00 1.03 0.00 0.00 0.00 0.00 176.54 177.57 1bw4 n ALA 24 N -2.51 -0.26 -0.24 3.60 0.00 0.25 -4.46 120.51 116.89 1bw4 n ALA 24 Ca -0.03 0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.66 1bw4 n ALA 24 Cb 0.10 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.37 1bw4 n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bw4 n PRO 25 N 5.97 -0.24 -0.04 0.00 -0.01 -1.26 -0.54 135.00 138.87 1bw4 n PRO 25 Ca 0.38 0.85 0.19 0.00 -0.01 0.00 0.00 63.50 64.92 1bw4 n PRO 25 Cb 0.03 -1.26 0.29 0.00 -0.01 0.00 0.00 33.50 32.55 1bw4 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bw4 n ALA 26 N -3.59 0.67 -0.03 3.55 0.00 -1.26 -2.18 120.51 117.67 1bw4 n ALA 26 Ca 0.01 0.23 -0.07 0.00 0.00 0.00 0.00 53.44 53.61 1bw4 n ALA 26 Cb 0.15 -0.40 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 1bw4 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bw4 n VAL 27 N -2.99 1.22 -2.51 0.00 0.31 0.29 -5.09 118.33 109.58 1bw4 n VAL 27 Ca 0.16 0.16 -0.18 0.00 -0.01 0.00 0.00 64.34 64.47 1bw4 n VAL 27 Cb 1.35 -1.90 0.02 0.00 -0.91 0.00 0.00 33.84 32.40 1bw4 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw4 n SER 28 N -3.89 -2.68 -4.92 4.52 3.41 -0.93 -5.00 113.62 104.13 1bw4 n SER 28 Ca -0.12 -0.19 -0.26 0.00 -0.26 0.00 0.00 58.87 58.04 1bw4 n SER 28 Cb 0.36 -0.81 0.01 0.00 -0.26 0.00 0.00 64.21 63.51 1bw4 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw4 s ALA 29 N -1.19 3.49 0.10 7.33 0.00 -1.25 -5.01 121.76 125.23 1bw4 s ALA 29 Ca 0.15 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.29 1bw4 s ALA 29 Cb -0.02 -2.44 0.05 0.00 0.00 0.00 0.00 23.12 20.71 1bw4 s ALA 29 CO 0.45 -0.39 0.79 0.98 0.00 0.00 0.00 175.76 177.59 1bw4 n TYR 30 N -2.22 -0.10 0.77 0.00 4.19 -1.26 -1.83 117.16 116.71 1bw4 n TYR 30 Ca 0.01 0.64 0.09 0.00 3.31 0.00 0.00 57.90 61.94 1bw4 n TYR 30 Cb 0.56 -0.62 0.03 0.00 0.49 0.00 0.00 39.34 39.80 1bw4 n TYR 30 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw4 n ALA 32 N 0.33 -0.36 -0.41 0.00 0.00 -0.76 0.11 120.51 119.43 1bw4 n ALA 32 Ca 0.09 0.48 0.36 0.00 0.00 0.00 0.00 53.44 54.37 1bw4 n ALA 32 Cb 0.40 0.01 0.63 0.00 0.00 0.00 0.00 19.45 20.49 1bw4 n ALA 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bw4 n THR 33 N -4.41 -0.31 0.56 0.00 -1.04 -1.26 0.27 114.28 108.08 1bw4 n THR 33 Ca 0.01 1.86 0.07 0.00 -2.04 0.00 0.00 64.05 63.95 1bw4 n THR 33 Cb 0.15 -3.04 -0.08 0.00 -1.82 0.00 0.00 70.33 65.54 1bw4 n THR 33 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1bw4 n TRP 34 N -4.89 0.00 -0.07 -1.42 8.01 0.26 -4.66 117.44 114.66 1bw4 n TRP 34 Ca 0.39 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.48 1bw4 n TRP 34 Cb 1.43 -0.04 -0.07 0.00 -2.01 0.00 0.00 31.31 30.62 1bw4 n TRP 34 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1bw4 n ASP 35 N -1.42 2.81 0.16 -0.99 -0.08 0.31 -4.38 116.55 112.97 1bw4 n ASP 35 Ca 0.02 -0.06 0.19 0.00 -1.51 0.00 0.00 54.79 53.42 1bw4 n ASP 35 Cb 0.24 -0.23 0.79 0.00 2.34 0.00 0.00 41.12 44.25 1bw4 n ASP 35 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bw4 h ALA 36 N -0.02 1.90 0.00 -1.67 0.00 -0.37 0.51 119.26 119.60 1bw4 h ALA 36 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1bw4 h ALA 36 Cb 1.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1bw4 h ALA 36 CO -0.06 -0.49 -0.56 0.66 0.00 0.00 0.00 179.25 178.79 1bw4 h SER 37 N 0.00 0.00 -4.16 0.00 4.64 -1.79 -3.46 113.55 108.78 1bw4 h SER 37 Ca 0.13 -0.18 -0.52 0.00 -0.47 0.00 0.00 61.79 60.75 1bw4 h SER 37 Cb 0.83 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.05 1bw4 h SER 37 CO -0.00 0.09 0.41 -0.54 -0.87 0.00 0.00 176.83 175.91 1bw4 s LYS 38 N -3.17 2.53 0.02 4.77 3.01 0.18 -4.89 119.74 122.19 1bw4 s LYS 38 Ca 0.06 1.67 -0.31 0.00 -1.01 0.00 0.00 55.97 56.38 1bw4 s LYS 38 Cb 0.13 -1.89 -0.10 0.00 -1.01 0.00 0.00 37.83 34.96 1bw4 s LYS 38 CO 0.71 -1.51 1.94 -0.35 0.51 0.00 0.00 175.35 176.65 1bw4 n PRO 39 N -2.35 2.73 -0.00 -1.68 -0.04 -1.26 -4.75 135.00 127.64 1bw4 n PRO 39 Ca 0.13 1.00 -0.00 0.00 -0.04 0.00 0.00 63.50 64.59 1bw4 n PRO 39 Cb 0.51 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1bw4 n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bw4 n LEU 40 N 7.15 -0.00 -0.31 1.53 4.77 -1.26 -0.59 117.00 128.28 1bw4 n LEU 40 Ca 0.20 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1bw4 n LEU 40 Cb 0.38 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1bw4 n LEU 40 CO 0.69 -0.01 0.64 0.28 -1.33 0.00 0.00 177.39 177.66 1bw4 h SER 41 N 0.00 -1.10 -0.25 -1.43 0.02 -2.00 -0.64 113.55 108.14 1bw4 h SER 41 Ca 0.00 0.27 -0.16 0.00 -0.84 0.00 0.00 61.79 61.07 1bw4 h SER 41 Cb 0.00 0.62 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1bw4 h SER 41 CO -0.00 -0.29 -0.45 -0.25 -1.14 0.00 0.00 176.83 174.69 1bw4 h TRP 42 N -0.04 0.95 0.19 3.45 7.01 -1.20 -2.48 115.95 123.82 1bw4 h TRP 42 Ca 0.35 -0.33 0.01 0.00 2.11 0.00 0.00 58.89 61.03 1bw4 h TRP 42 Cb 0.61 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.44 1bw4 h TRP 42 CO -0.74 1.13 -0.52 0.00 -2.79 0.00 0.00 178.44 175.52 1bw4 h ARG 43 N 0.49 -0.76 -0.11 2.65 3.08 -1.18 -1.40 114.38 117.16 1bw4 h ARG 43 Ca 0.01 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1bw4 h ARG 43 Cb 1.06 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1bw4 h ARG 43 CO 0.10 -0.51 0.07 0.66 -1.07 0.00 0.00 179.97 179.22 1bw4 h SER 44 N -0.79 0.12 0.00 7.04 4.64 -1.28 -3.36 113.55 119.92 1bw4 h SER 44 Ca -0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1bw4 h SER 44 Cb 0.78 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1bw4 h SER 44 CO -0.25 0.09 0.00 1.17 -0.87 0.00 0.00 176.83 176.98 1bw4 n LYS 45 N -4.52 0.00 -4.32 4.77 4.81 -0.84 -5.07 118.16 113.00 1bw4 n LYS 45 Ca -0.01 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.23 1bw4 n LYS 45 Cb 0.09 -0.62 -0.08 0.00 0.02 0.00 0.00 35.03 34.44 1bw4 n LYS 45 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1bw4 s TYR 46 N -0.31 1.71 -0.71 5.64 2.02 -0.59 -4.76 117.35 120.35 1bw4 s TYR 46 Ca 0.00 -1.57 -0.01 0.00 -0.37 0.00 0.00 57.07 55.13 1bw4 s TYR 46 Cb 0.00 -0.79 -0.01 0.00 -0.40 0.00 0.00 41.96 40.77 1bw4 s TYR 46 CO 0.00 -0.74 0.59 0.41 -1.57 0.00 0.00 175.55 174.24 1bw4 n GLY 47 N -0.64 -0.09 2.78 0.71 0.00 -1.20 -4.53 105.19 102.21 1bw4 n GLY 47 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1bw4 n GLY 47 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bw4 s TRP 48 N -3.22 -1.22 -0.30 1.61 -0.11 0.20 -4.63 118.94 111.27 1bw4 s TRP 48 Ca 0.05 -0.34 -0.08 0.00 1.22 0.00 0.00 56.10 56.94 1bw4 s TRP 48 Cb -0.01 0.24 0.14 0.00 -1.50 0.00 0.00 33.47 32.34 1bw4 s TRP 48 CO 0.44 -0.94 0.64 -0.08 -4.62 0.00 0.00 176.95 172.39 1bw4 s THR 49 N 1.04 -1.00 -0.32 5.86 -1.32 0.36 -4.10 115.64 116.15 1bw4 s THR 49 Ca 0.26 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.46 1bw4 s THR 49 Cb 0.03 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.04 1bw4 s THR 49 CO -0.07 0.00 1.04 0.00 -2.21 0.00 0.00 174.62 173.38 1bw4 s ALA 50 N 2.89 3.49 -0.09 11.08 0.00 -1.26 -3.16 121.76 134.72 1bw4 s ALA 50 Ca -0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 1bw4 s ALA 50 Cb -0.13 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 1bw4 s ALA 50 CO -0.19 -1.47 0.43 0.12 0.00 0.00 0.00 175.76 174.64 1bw4 s PHE 51 N 3.58 3.56 -0.42 0.00 2.19 0.28 0.68 117.98 127.85 1bw4 s PHE 51 Ca 0.44 0.87 0.07 0.00 0.33 0.00 0.00 56.93 58.63 1bw4 s PHE 51 Cb -0.12 -2.44 0.24 0.00 -1.31 0.00 0.00 43.02 39.38 1bw4 s PHE 51 CO 0.15 0.31 0.61 0.00 1.83 0.00 0.00 175.22 178.13 1bw4 s GLY 53 N -1.15 2.27 0.18 0.00 0.00 -1.26 -2.25 107.32 105.11 1bw4 s GLY 53 Ca 0.34 -2.03 -0.13 0.00 0.00 0.00 0.00 44.72 42.89 1bw4 s GLY 53 CO -0.15 -1.92 1.76 -0.56 0.00 0.00 0.00 173.10 172.24 1bw4 h PRO 54 N 1.97 0.40 -3.05 2.90 0.13 -1.97 -3.32 132.00 129.06 1bw4 h PRO 54 Ca -0.42 -0.02 -0.62 0.00 -0.87 0.00 0.00 66.00 64.07 1bw4 h PRO 54 Cb 1.25 -0.09 -0.41 0.00 0.13 0.00 0.00 31.00 31.88 1bw4 h PRO 54 CO 0.73 0.26 -0.68 0.00 -0.23 0.00 0.00 178.00 178.08 1bw4 s ALA 55 N -6.13 2.96 -0.43 -0.56 0.00 -1.26 -4.96 121.76 111.38 1bw4 s ALA 55 Ca -0.13 -3.21 0.07 0.00 0.00 0.00 0.00 51.96 48.69 1bw4 s ALA 55 Cb 0.14 -2.02 0.34 0.00 0.00 0.00 0.00 23.12 21.58 1bw4 s ALA 55 CO 0.73 -2.05 1.21 0.41 0.00 0.00 0.00 175.76 176.06 1bw4 n GLY 56 N 2.77 0.78 3.55 0.00 0.00 -1.25 -4.48 105.19 106.56 1bw4 n GLY 56 Ca 0.14 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1bw4 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw4 s PRO 57 N 0.23 2.85 -0.45 1.61 0.04 -1.26 -4.89 135.00 133.14 1bw4 s PRO 57 Ca 0.22 0.27 0.05 0.00 0.04 0.00 0.00 61.00 61.57 1bw4 s PRO 57 Cb 0.33 -4.31 0.18 0.00 0.04 0.00 0.00 34.50 30.73 1bw4 s PRO 57 CO -0.07 -2.51 0.49 0.50 0.04 0.00 0.00 177.00 175.46 1bw4 s ARG 58 N 6.53 0.95 0.00 4.56 6.06 -1.26 -4.90 118.95 130.89 1bw4 s ARG 58 Ca 0.54 -1.62 0.00 0.00 -2.50 0.00 0.00 55.73 52.15 1bw4 s ARG 58 Cb -0.11 -0.83 0.00 0.00 0.06 0.00 0.00 34.95 34.07 1bw4 s ARG 58 CO 0.18 -1.35 0.00 0.41 -2.50 0.00 0.00 175.30 172.04 1bw4 n GLY 59 N 2.98 0.08 0.00 8.12 0.00 -1.26 -4.49 105.19 110.62 1bw4 n GLY 59 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1bw4 n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bw4 n GLN 60 N -0.36 0.00 -0.85 1.61 6.02 -1.26 -0.17 117.38 122.36 1bw4 n GLN 60 Ca 0.00 0.23 -0.16 0.00 -0.01 0.00 0.00 57.00 57.06 1bw4 n GLN 60 Cb 0.00 -0.36 0.04 0.00 1.02 0.00 0.00 30.24 30.94 1bw4 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw4 n ALA 61 N -1.69 4.95 -0.04 -1.58 0.00 -1.26 -3.95 120.51 116.94 1bw4 n ALA 61 Ca 0.00 -1.61 -0.09 0.00 0.00 0.00 0.00 53.44 51.74 1bw4 n ALA 61 Cb 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.07 1bw4 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n ALA 62 N 0.26 2.36 -0.40 0.00 0.00 0.76 -4.92 120.51 118.57 1bw4 n ALA 62 Ca 0.30 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 1bw4 n ALA 62 Cb 0.65 0.34 -0.03 0.00 0.00 0.00 0.00 19.45 20.40 1bw4 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n GLY 64 N 1.63 1.11 2.04 0.00 0.00 -0.76 -5.01 105.19 104.21 1bw4 n GLY 64 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1bw4 n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bw4 n LYS 65 N 0.00 -0.22 -4.32 1.61 5.02 0.12 -4.56 118.16 115.81 1bw4 n LYS 65 Ca 0.00 -1.26 -0.17 0.00 -2.02 0.00 0.00 58.31 54.86 1bw4 n LYS 65 Cb 0.00 -0.53 -0.10 0.00 -0.02 0.00 0.00 35.03 34.38 1bw4 n LYS 65 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bw4 s LEU 67 N -3.30 1.95 -0.19 0.00 0.20 -0.93 -0.98 118.68 115.43 1bw4 s LEU 67 Ca 0.28 -0.30 -0.05 0.00 0.69 0.00 0.00 54.13 54.75 1bw4 s LEU 67 Cb 0.06 -0.86 -0.03 0.00 -0.43 0.00 0.00 46.19 44.93 1bw4 s LEU 67 CO 0.08 0.17 0.01 -0.60 -0.29 0.00 0.00 176.35 175.72 1bw4 s ARG 68 N -0.14 3.70 -0.09 1.98 3.52 0.95 0.14 118.95 129.00 1bw4 s ARG 68 Ca 0.01 -0.48 0.03 0.00 -0.13 0.00 0.00 55.73 55.16 1bw4 s ARG 68 Cb -0.09 -3.08 0.01 0.00 -1.56 0.00 0.00 34.95 30.23 1bw4 s ARG 68 CO 0.01 0.11 -0.19 0.08 -0.81 0.00 0.00 175.30 174.50 1bw4 s VAL 69 N 0.76 1.65 0.10 7.11 1.01 -0.80 -0.57 120.40 129.66 1bw4 s VAL 69 Ca 0.01 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.29 1bw4 s VAL 69 Cb -0.14 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1bw4 s VAL 69 CO 0.02 0.47 -0.21 -0.89 0.00 0.00 0.00 175.10 174.49 1bw4 s THR 70 N 0.53 1.70 -0.54 3.92 2.01 -0.78 -0.54 115.64 121.95 1bw4 s THR 70 Ca -0.16 -1.53 -0.03 0.00 0.31 0.00 0.00 61.69 60.28 1bw4 s THR 70 Cb -0.17 -1.54 0.14 0.00 0.01 0.00 0.00 72.50 70.94 1bw4 s THR 70 CO 0.06 -0.06 0.35 0.21 -0.69 0.00 0.00 174.62 174.49 1bw4 s ASN 71 N -1.89 5.21 0.00 3.53 3.84 0.10 -2.37 114.94 123.37 1bw4 s ASN 71 Ca 0.06 -2.56 0.00 0.00 0.21 0.00 0.00 52.86 50.58 1bw4 s ASN 71 Cb -0.10 -1.84 0.00 0.00 -0.55 0.00 0.00 41.25 38.76 1bw4 s ASN 71 CO 0.04 -0.43 0.97 -2.65 -2.79 0.00 0.00 177.10 172.24 1bw4 n PRO 72 N 3.88 0.00 0.12 0.43 -0.02 -1.26 -0.76 135.00 137.39 1bw4 n PRO 72 Ca 0.04 0.47 -0.20 0.00 -2.02 0.00 0.00 63.50 61.79 1bw4 n PRO 72 Cb 0.39 -1.51 -0.15 0.00 -0.02 0.00 0.00 33.50 32.21 1bw4 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 h ALA 73 N 1.96 0.00 0.00 3.55 0.00 -1.94 -3.40 119.26 119.43 1bw4 h ALA 73 Ca 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 54.91 53.94 1bw4 h ALA 73 Cb 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1bw4 h ALA 73 CO 0.00 0.87 -1.26 0.25 0.00 0.00 0.00 179.25 179.11 1bw4 n THR 74 N -3.60 0.26 0.00 0.00 -2.24 -0.76 -5.01 114.28 102.93 1bw4 n THR 74 Ca -0.13 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1bw4 n THR 74 Cb 1.06 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1bw4 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw4 n GLY 75 N 2.74 0.66 3.73 3.38 0.00 0.06 -5.08 105.19 110.68 1bw4 n GLY 75 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1bw4 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 s ALA 76 N -2.00 2.19 0.05 4.61 0.00 -1.24 -4.71 121.76 120.66 1bw4 s ALA 76 Ca 0.00 0.92 -0.27 0.00 0.00 0.00 0.00 51.96 52.61 1bw4 s ALA 76 Cb 0.00 -3.47 0.07 0.00 0.00 0.00 0.00 23.12 19.72 1bw4 s ALA 76 CO 0.00 -1.77 0.64 1.14 0.00 0.00 0.00 175.76 175.78 1bw4 s GLN 77 N -3.80 1.17 0.34 0.00 -2.07 -1.26 0.03 119.66 114.06 1bw4 s GLN 77 Ca 0.75 -0.10 -0.03 0.00 -1.82 0.00 0.00 55.36 54.16 1bw4 s GLN 77 Cb -0.30 0.54 0.00 0.00 -1.09 0.00 0.00 33.01 32.17 1bw4 s GLN 77 CO 0.43 -0.44 0.48 -1.50 -1.32 0.00 0.00 175.29 172.94 1bw4 s ILE 78 N -2.45 0.00 -0.13 3.63 1.10 0.30 -4.99 121.20 118.66 1bw4 s ILE 78 Ca -0.05 -1.58 0.01 0.00 -0.51 0.00 0.00 60.65 58.52 1bw4 s ILE 78 Cb -0.00 -2.64 0.02 0.00 0.15 0.00 0.00 42.46 39.99 1bw4 s ILE 78 CO -0.01 0.00 -0.13 -0.89 -2.11 0.00 0.00 174.94 171.79 1bw4 s THR 79 N -3.05 1.46 0.80 4.00 2.01 -1.26 -1.91 115.64 117.69 1bw4 s THR 79 Ca 0.30 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.63 1bw4 s THR 79 Cb -0.01 -1.37 0.12 0.00 0.01 0.00 0.00 72.50 71.25 1bw4 s THR 79 CO 0.20 0.44 1.13 0.00 -0.69 0.00 0.00 174.62 175.69 1bw4 s ALA 80 N 1.36 2.90 -0.35 7.40 0.00 0.12 -4.79 121.76 128.40 1bw4 s ALA 80 Ca 0.01 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 1bw4 s ALA 80 Cb -0.13 -2.60 0.06 0.00 0.00 0.00 0.00 23.12 20.44 1bw4 s ALA 80 CO -0.07 -1.72 0.12 1.03 0.00 0.00 0.00 175.76 175.11 1bw4 s ARG 81 N -5.47 2.50 -0.06 0.00 3.00 -1.26 -2.20 118.95 115.47 1bw4 s ARG 81 Ca 0.66 -1.32 -0.20 0.00 0.00 0.00 0.00 55.73 54.87 1bw4 s ARG 81 Cb -0.08 -3.46 -0.05 0.00 0.00 0.00 0.00 34.95 31.36 1bw4 s ARG 81 CO 0.48 -0.75 0.57 0.42 0.00 0.00 0.00 175.30 176.02 1bw4 s ILE 82 N 1.34 5.05 0.00 1.52 1.01 0.21 0.13 121.20 130.47 1bw4 s ILE 82 Ca -0.01 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.81 1bw4 s ILE 82 Cb -0.20 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1bw4 s ILE 82 CO 0.01 0.35 0.00 0.55 0.00 0.00 0.00 174.94 175.85 1bw4 n VAL 83 N 3.30 0.00 -4.22 2.92 3.14 -1.23 -1.83 118.33 120.41 1bw4 n VAL 83 Ca -0.06 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 60.98 1bw4 n VAL 83 Cb 0.51 -0.03 -0.08 0.00 -1.06 0.00 0.00 33.84 33.18 1bw4 n VAL 83 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1bw4 s ASP 84 N -1.76 5.50 -0.26 6.55 1.11 -1.19 -4.30 116.67 122.33 1bw4 s ASP 84 Ca 0.00 0.17 -0.05 0.00 0.18 0.00 0.00 52.55 52.85 1bw4 s ASP 84 Cb 0.00 -1.58 0.00 0.00 1.07 0.00 0.00 42.92 42.41 1bw4 s ASP 84 CO 0.00 0.35 0.02 -1.58 1.18 0.00 0.00 175.17 175.14 1bw4 s GLN 85 N -1.20 3.22 0.40 8.23 0.74 -1.26 -0.56 119.66 129.23 1bw4 s GLN 85 Ca 0.17 -0.75 0.08 0.00 0.05 0.00 0.00 55.36 54.90 1bw4 s GLN 85 Cb -0.12 -3.21 -0.02 0.00 1.10 0.00 0.00 33.01 30.77 1bw4 s GLN 85 CO 0.06 -0.33 0.39 0.00 -0.55 0.00 0.00 175.29 174.86 1bw4 n ALA 87 N -1.56 2.12 -2.63 0.00 0.00 -1.26 -4.70 120.51 112.48 1bw4 n ALA 87 Ca 0.03 -0.08 -0.38 0.00 0.00 0.00 0.00 53.44 53.01 1bw4 n ALA 87 Cb 0.61 -0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 1bw4 n ALA 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bw4 s ASN 88 N -0.91 6.70 -0.47 0.00 4.22 -1.26 -4.98 114.94 118.24 1bw4 s ASN 88 Ca 0.00 0.83 -0.42 0.00 -2.14 0.00 0.00 52.86 51.13 1bw4 s ASN 88 Cb 0.00 -2.26 -0.18 0.00 1.28 0.00 0.00 41.25 40.10 1bw4 s ASN 88 CO 0.02 0.14 2.12 0.61 -2.04 0.00 0.00 177.10 177.95 1bw4 n GLY 89 N 2.72 -0.00 0.00 0.45 0.00 -1.26 -4.70 105.19 102.40 1bw4 n GLY 89 Ca -0.10 1.08 0.00 0.00 0.00 0.00 0.00 46.02 47.00 1bw4 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw4 n GLY 90 N 7.14 0.89 0.00 -0.02 0.00 -0.95 -4.43 105.19 107.82 1bw4 n GLY 90 Ca 0.51 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1bw4 n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bw4 n LEU 91 N 0.00 0.00 -3.51 0.99 0.00 -0.45 -2.89 117.00 111.14 1bw4 n LEU 91 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.86 1bw4 n LEU 91 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.37 1bw4 n LEU 91 CO 0.00 0.00 0.38 1.51 0.00 0.00 0.00 177.39 179.28 1bw4 s ASP 92 N 0.00 -0.57 -0.68 1.96 1.47 -1.09 -2.74 116.67 115.03 1bw4 s ASP 92 Ca 0.00 0.36 0.02 0.00 1.18 0.00 0.00 52.55 54.11 1bw4 s ASP 92 Cb 0.00 0.54 0.37 0.00 -0.34 0.00 0.00 42.92 43.50 1bw4 s ASP 92 CO 0.00 -0.74 1.49 -0.11 0.68 0.00 0.00 175.17 176.49 1bw4 n LEU 93 N 0.40 5.98 0.00 2.11 0.00 0.22 -0.24 117.00 125.47 1bw4 n LEU 93 Ca -0.18 -5.18 -0.17 0.00 0.00 0.00 0.00 56.01 50.47 1bw4 n LEU 93 Cb 0.60 -0.77 0.10 0.00 0.00 0.00 0.00 43.42 43.35 1bw4 n LEU 93 CO 0.19 2.07 0.44 0.47 0.00 0.00 0.00 177.39 180.57 1bw4 n ASP 94 N -0.41 0.82 -2.69 1.96 8.00 0.12 -4.04 116.55 120.29 1bw4 n ASP 94 Ca 0.44 -1.74 -0.30 0.00 0.71 0.00 0.00 54.79 53.90 1bw4 n ASP 94 Cb 0.42 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1bw4 n ASP 94 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1bw4 n TRP 95 N -2.60 3.38 -0.46 1.24 -0.00 -1.26 -3.67 117.44 114.07 1bw4 n TRP 95 Ca 0.12 -3.04 0.00 0.00 -0.00 0.00 0.00 57.50 54.57 1bw4 n TRP 95 Cb 0.42 -0.43 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1bw4 n TRP 95 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1bw4 n ASP 96 N -0.44 -1.85 0.00 5.87 9.92 -1.26 -4.71 116.55 124.08 1bw4 n ASP 96 Ca 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 1bw4 n ASP 96 Cb 0.51 -1.94 0.00 0.00 -0.64 0.00 0.00 41.12 39.05 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1bw4 n THR 97 N -1.04 0.00 -0.04 -3.53 -2.24 -1.26 0.14 114.28 106.32 1bw4 n THR 97 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1bw4 n THR 97 Cb 0.15 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.38 1bw4 n THR 97 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1bw4 h VAL 98 N 0.00 0.00 0.33 2.28 2.07 -1.95 -3.35 116.25 115.62 1bw4 h VAL 98 Ca 0.00 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1bw4 h VAL 98 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1bw4 h VAL 98 CO 0.00 0.00 -0.18 0.15 0.02 0.00 0.00 177.57 177.56 1bw4 h PHE 99 N -0.55 -0.49 -0.17 1.57 3.57 0.89 -0.16 116.94 121.60 1bw4 h PHE 99 Ca 0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1bw4 h PHE 99 Cb 0.25 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1bw4 h PHE 99 CO -0.11 -0.28 -0.01 0.25 -2.23 0.00 0.00 178.31 175.93 1bw4 n THR 100 N -3.40 -0.07 -0.06 4.41 -2.24 0.26 -0.92 114.28 112.26 1bw4 n THR 100 Ca -0.06 0.39 -0.16 0.00 -2.27 0.00 0.00 64.05 61.95 1bw4 n THR 100 Cb 0.19 -0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 67.73 1bw4 n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bw4 n LYS 101 N -4.09 0.69 -0.07 -0.78 5.02 -1.17 -4.43 118.16 113.34 1bw4 n LYS 101 Ca 0.04 0.18 0.11 0.00 -2.02 0.00 0.00 58.31 56.62 1bw4 n LYS 101 Cb 0.12 -1.63 0.40 0.00 -0.02 0.00 0.00 35.03 33.90 1bw4 n LYS 101 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1bw4 n ILE 102 N -3.20 0.18 -2.91 -0.18 -5.35 -0.08 -4.40 119.36 103.42 1bw4 n ILE 102 Ca -0.34 -0.34 -0.43 0.00 -0.27 0.00 0.00 62.75 61.38 1bw4 n ILE 102 Cb 1.05 0.41 0.01 0.00 -1.74 0.00 0.00 39.64 39.37 1bw4 n ILE 102 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1bw4 n ASP 103 N 0.32 6.55 0.09 7.28 2.03 -0.41 -4.84 116.55 127.57 1bw4 n ASP 103 Ca 0.17 -3.45 -0.01 0.00 0.52 0.00 0.00 54.79 52.03 1bw4 n ASP 103 Cb 0.34 -1.26 0.28 0.00 -0.72 0.00 0.00 41.12 39.76 1bw4 n ASP 103 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1bw4 h THR 104 N 3.24 1.26 0.00 5.18 1.35 -1.87 -3.38 112.91 118.69 1bw4 h THR 104 Ca 0.26 -1.21 -0.16 0.00 -0.55 0.00 0.00 66.41 64.75 1bw4 h THR 104 Cb 0.56 1.45 -0.03 0.00 -1.73 0.00 0.00 68.15 68.41 1bw4 h THR 104 CO 1.33 0.37 -1.62 -0.46 -0.25 0.00 0.00 175.52 174.89 1bw4 n ASN 105 N -4.13 3.14 0.00 5.36 6.94 -1.26 -5.08 115.26 120.23 1bw4 n ASN 105 Ca -0.01 -0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.50 1bw4 n ASN 105 Cb 0.39 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 1bw4 n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw4 n GLY 106 N 2.95 2.43 0.18 4.83 0.00 -1.26 -4.98 105.19 109.33 1bw4 n GLY 106 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.83 1bw4 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw4 n ILE 107 N -1.27 -0.24 -0.29 -0.61 2.08 -1.26 0.12 119.36 117.90 1bw4 n ILE 107 Ca 0.00 1.11 -0.10 0.00 0.56 0.00 0.00 62.75 64.31 1bw4 n ILE 107 Cb 0.00 -1.48 -0.09 0.00 -0.75 0.00 0.00 39.64 37.32 1bw4 n ILE 107 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1bw4 h GLY 108 N 0.00 -1.09 -0.41 7.39 0.00 -1.94 0.27 103.07 107.29 1bw4 h GLY 108 Ca 0.18 0.81 0.31 0.00 0.00 0.00 0.00 47.33 48.63 1bw4 h GLY 108 CO -0.48 -0.12 0.66 -1.82 0.00 0.00 0.00 176.54 174.78 1bw4 h TYR 109 N -0.11 0.78 -0.34 5.60 5.03 -0.65 0.53 116.97 127.81 1bw4 h TYR 109 Ca 0.12 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.45 1bw4 h TYR 109 Cb 0.41 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.46 1bw4 h TYR 109 CO -0.92 -0.05 0.20 0.37 -1.32 0.00 0.00 178.16 176.45 1bw4 h GLN 110 N 0.36 0.47 0.01 1.82 -0.00 -0.40 -3.28 115.11 114.08 1bw4 h GLN 110 Ca 0.68 -0.04 -0.32 0.00 -0.00 0.00 0.00 58.65 58.96 1bw4 h GLN 110 Cb 1.68 -0.10 -0.05 0.00 0.00 0.00 0.00 27.48 29.01 1bw4 h GLN 110 CO -0.43 0.36 -1.95 0.94 0.00 0.00 0.00 178.83 177.74 1bw4 n GLN 111 N -4.81 0.66 0.00 1.69 -0.06 -0.00 -5.00 117.38 109.85 1bw4 n GLN 111 Ca -0.01 0.20 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 1bw4 n GLN 111 Cb 0.06 -1.70 0.00 0.00 -4.06 0.00 0.00 30.24 24.54 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1bw4 n GLY 112 N 1.67 1.41 3.18 1.69 0.00 0.17 -5.08 105.19 108.24 1bw4 n GLY 112 Ca -0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1bw4 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw4 s HIS 113 N -1.58 0.24 0.27 1.61 -3.43 -1.22 -3.40 115.29 107.78 1bw4 s HIS 113 Ca 0.00 -0.69 0.05 0.00 -0.80 0.00 0.00 55.06 53.62 1bw4 s HIS 113 Cb 0.00 -0.13 -0.02 0.00 -1.43 0.00 0.00 32.58 31.00 1bw4 s HIS 113 CO 0.00 -0.51 0.19 1.47 -2.00 0.00 0.00 174.74 173.89 1bw4 n LEU 114 N -0.03 0.00 -4.28 5.38 -0.00 0.12 -4.62 117.00 113.57 1bw4 n LEU 114 Ca -0.15 -2.42 -0.36 0.00 -0.00 0.00 0.00 56.01 53.08 1bw4 n LEU 114 Cb 0.62 1.18 -0.13 0.00 -0.00 0.00 0.00 43.42 45.08 1bw4 n LEU 114 CO 0.24 -0.40 -0.34 0.21 -0.00 0.00 0.00 177.39 177.10 1bw4 s ASN 115 N -2.82 4.76 0.26 1.45 2.47 -1.26 0.29 114.94 120.09 1bw4 s ASN 115 Ca 0.27 -0.79 0.01 0.00 0.42 0.00 0.00 52.86 52.78 1bw4 s ASN 115 Cb 0.01 -1.78 -0.05 0.00 -1.45 0.00 0.00 41.25 37.98 1bw4 s ASN 115 CO 0.19 -0.16 0.10 0.68 -3.72 0.00 0.00 177.10 174.19 1bw4 s VAL 116 N 1.42 0.55 -0.08 -5.21 -7.23 -0.88 -4.57 120.40 104.39 1bw4 s VAL 116 Ca 0.01 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.23 1bw4 s VAL 116 Cb -0.17 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.13 1bw4 s VAL 116 CO -0.01 -0.00 -0.23 0.20 -0.31 0.00 0.00 175.10 174.75 1bw4 s ASN 117 N -3.31 3.20 -0.03 4.85 0.01 -1.00 -2.08 114.94 116.58 1bw4 s ASN 117 Ca 0.38 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 1bw4 s ASN 117 Cb 0.08 -1.10 0.03 0.00 0.41 0.00 0.00 41.25 40.66 1bw4 s ASN 117 CO 0.14 0.21 -0.00 -0.72 -1.51 0.00 0.00 177.10 175.21 1bw4 s TYR 118 N 0.03 0.40 -0.05 2.20 -0.85 -1.08 -1.87 117.35 116.14 1bw4 s TYR 118 Ca -0.09 -0.03 0.04 0.00 -0.52 0.00 0.00 57.07 56.47 1bw4 s TYR 118 Cb -0.15 -0.48 -0.00 0.00 0.38 0.00 0.00 41.96 41.71 1bw4 s TYR 118 CO 0.06 -0.15 -0.18 -0.65 -1.52 0.00 0.00 175.55 173.10 1bw4 s GLN 119 N 1.10 1.90 0.39 -3.49 -1.52 0.26 -2.52 119.66 115.78 1bw4 s GLN 119 Ca -0.09 -0.64 -0.26 0.00 -1.95 0.00 0.00 55.36 52.41 1bw4 s GLN 119 Cb -0.14 -1.63 -0.09 0.00 -0.22 0.00 0.00 33.01 30.93 1bw4 s GLN 119 CO -0.02 0.25 1.29 -0.06 -0.25 0.00 0.00 175.29 176.51 1bw4 s PHE 120 N 0.03 2.88 0.03 0.91 0.40 -0.84 -0.04 117.98 121.35 1bw4 s PHE 120 Ca -0.04 1.42 0.00 0.00 -0.60 0.00 0.00 56.93 57.71 1bw4 s PHE 120 Cb -0.12 -3.65 -0.03 0.00 0.51 0.00 0.00 43.02 39.74 1bw4 s PHE 120 CO 0.03 -1.98 -0.04 0.08 0.70 0.00 0.00 175.22 174.00 1bw4 s VAL 121 N -1.25 0.22 0.02 -0.44 1.01 -0.15 -4.71 120.40 115.10 1bw4 s VAL 121 Ca 0.55 -1.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 1bw4 s VAL 121 Cb -0.38 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 1bw4 s VAL 121 CO 0.49 -0.60 0.54 -1.81 0.00 0.00 0.00 175.10 173.72 1bw4 s ASP 122 N -1.83 6.96 -0.02 3.32 1.11 -1.26 -0.99 116.67 123.95 1bw4 s ASP 122 Ca -0.09 1.14 -0.24 0.00 0.18 0.00 0.00 52.55 53.54 1bw4 s ASP 122 Cb -0.06 -2.34 -0.17 0.00 1.07 0.00 0.00 42.92 41.42 1bw4 s ASP 122 CO -0.03 0.20 1.09 0.00 1.18 0.00 0.00 175.17 177.62 1bw4 n ARG 124 N -4.97 -1.29 0.00 0.00 1.74 -1.26 -5.09 116.66 105.79 1bw4 n ARG 124 Ca -0.08 0.61 0.14 0.00 -0.77 0.00 0.00 57.85 57.75 1bw4 n ARG 124 Cb 0.26 -4.13 0.55 0.00 -1.02 0.00 0.00 32.46 28.12 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64