#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw3 s GLN 2 N 0.00 2.28 0.00 5.31 -0.21 -1.26 -0.59 119.66 125.19 1bw3 s GLN 2 Ca 0.00 -0.55 0.04 0.00 0.02 0.00 0.00 55.36 54.86 1bw3 s GLN 2 Cb 0.00 -2.08 -0.01 0.00 1.00 0.00 0.00 33.01 31.92 1bw3 s GLN 2 CO 0.00 -0.22 -0.11 0.00 -2.12 0.00 0.00 175.29 172.83 1bw3 s ALA 3 N 1.45 0.93 0.37 6.09 0.00 -0.57 -5.01 121.76 125.03 1bw3 s ALA 3 Ca 0.04 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.50 1bw3 s ALA 3 Cb -0.13 -0.21 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 1bw3 s ALA 3 CO -0.10 0.21 0.04 0.54 0.00 0.00 0.00 175.76 176.45 1bw3 s ASN 4 N -0.47 3.03 -1.08 0.00 4.22 -1.26 -1.17 114.94 118.21 1bw3 s ASN 4 Ca 0.03 -1.42 -0.23 0.00 -2.14 0.00 0.00 52.86 49.10 1bw3 s ASN 4 Cb -0.05 -0.11 0.03 0.00 1.28 0.00 0.00 41.25 42.41 1bw3 s ASN 4 CO -0.00 -0.60 0.44 -0.67 -2.04 0.00 0.00 177.10 174.24 1bw3 n ASP 5 N -0.87 -2.49 -4.21 3.54 2.03 -1.12 -4.92 116.55 108.52 1bw3 n ASP 5 Ca -0.05 -1.10 -0.36 0.00 0.52 0.00 0.00 54.79 53.80 1bw3 n ASP 5 Cb 0.67 -1.33 -0.13 0.00 -0.72 0.00 0.00 41.12 39.61 1bw3 n ASP 5 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1bw3 s VAL 6 N -3.86 3.40 -0.46 5.18 1.01 -0.38 -4.92 120.40 120.37 1bw3 s VAL 6 Ca 0.33 -1.40 -0.36 0.00 0.00 0.00 0.00 61.98 60.54 1bw3 s VAL 6 Cb -0.18 -3.01 -0.14 0.00 0.00 0.00 0.00 36.38 33.05 1bw3 s VAL 6 CO 0.83 -0.25 2.25 0.54 0.00 0.00 0.00 175.10 178.46 1bw3 n ARG 7 N 4.70 0.69 -4.03 2.72 1.74 -1.26 -3.93 116.66 117.29 1bw3 n ARG 7 Ca -0.11 0.17 -0.35 0.00 -0.77 0.00 0.00 57.85 56.79 1bw3 n ARG 7 Cb 0.43 -2.19 -0.08 0.00 -1.02 0.00 0.00 32.46 29.60 1bw3 n ARG 7 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bw3 s ALA 8 N 7.52 3.54 -0.07 7.54 0.00 -0.96 -4.92 121.76 134.41 1bw3 s ALA 8 Ca 1.14 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.39 1bw3 s ALA 8 Cb -1.01 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 1bw3 s ALA 8 CO 0.52 0.40 -0.07 0.95 0.00 0.00 0.00 175.76 177.56 1bw3 s THR 9 N -0.32 3.73 0.30 0.00 -4.23 -1.26 -1.54 115.64 112.32 1bw3 s THR 9 Ca 0.09 -0.47 0.09 0.00 -1.18 0.00 0.00 61.69 60.22 1bw3 s THR 9 Cb -0.12 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 1bw3 s THR 9 CO 0.02 0.60 0.10 -0.72 -0.54 0.00 0.00 174.62 174.07 1bw3 s TYR 10 N -0.82 2.76 0.00 3.99 1.13 -0.57 -2.58 117.35 121.26 1bw3 s TYR 10 Ca 0.12 -0.29 0.00 0.00 -1.41 0.00 0.00 57.07 55.50 1bw3 s TYR 10 Cb -0.11 -1.44 0.00 0.00 -1.10 0.00 0.00 41.96 39.31 1bw3 s TYR 10 CO 0.01 0.47 0.00 1.58 -2.51 0.00 0.00 175.55 175.10 1bw3 n HIS 11 N -1.06 -0.36 -3.57 -3.49 -0.00 -1.26 -4.73 115.22 100.75 1bw3 n HIS 11 Ca -0.05 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.85 1bw3 n HIS 11 Cb 0.60 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.35 1bw3 n HIS 11 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1bw3 s TYR 12 N -4.48 1.52 -2.17 1.57 2.02 -1.26 -4.80 117.35 109.76 1bw3 s TYR 12 Ca 0.00 -2.24 0.20 0.00 -0.37 0.00 0.00 57.07 54.66 1bw3 s TYR 12 Cb 0.00 -1.42 0.53 0.00 -0.40 0.00 0.00 41.96 40.67 1bw3 s TYR 12 CO 0.00 -0.79 1.44 0.66 -1.57 0.00 0.00 175.55 175.30 1bw3 n TYR 13 N 3.37 0.63 -4.09 2.71 4.02 -1.26 -4.98 117.16 117.55 1bw3 n TYR 13 Ca 0.16 -0.31 -0.36 0.00 -0.01 0.00 0.00 57.90 57.37 1bw3 n TYR 13 Cb 0.39 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.68 1bw3 n TYR 13 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1bw3 n ARG 14 N 1.16 -1.09 -0.03 -0.72 1.74 -1.26 -4.81 116.66 111.65 1bw3 n ARG 14 Ca 0.19 0.18 -0.08 0.00 -0.77 0.00 0.00 57.85 57.37 1bw3 n ARG 14 Cb 0.50 -3.40 -0.05 0.00 -1.02 0.00 0.00 32.46 28.49 1bw3 n ARG 14 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1bw3 h PRO 15 N -2.14 -0.26 -0.18 5.56 0.13 -1.81 0.15 132.00 133.45 1bw3 h PRO 15 Ca -0.68 0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.52 1bw3 h PRO 15 Cb 1.39 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.58 1bw3 h PRO 15 CO 0.60 -0.17 0.71 0.00 -0.23 0.00 0.00 178.00 178.90 1bw3 h ALA 16 N -0.76 1.88 0.00 -0.56 0.00 -1.89 0.21 119.26 118.15 1bw3 h ALA 16 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1bw3 h ALA 16 Cb 0.34 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1bw3 h ALA 16 CO -0.26 -0.80 -0.41 0.37 0.00 0.00 0.00 179.25 178.15 1bw3 h GLN 17 N 0.00 0.00 -2.32 0.00 5.75 -1.04 -3.36 115.11 114.14 1bw3 h GLN 17 Ca 0.09 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 57.99 1bw3 h GLN 17 Cb 1.50 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.91 1bw3 h GLN 17 CO -0.00 0.48 1.41 -1.71 -2.65 0.00 0.00 178.83 176.36 1bw3 n ASN 18 N -4.62 7.21 -2.63 -0.69 2.85 -1.00 -4.73 115.26 111.66 1bw3 n ASN 18 Ca -0.11 -3.10 -0.06 0.00 -0.11 0.00 0.00 54.58 51.20 1bw3 n ASN 18 Cb 0.34 -1.32 -0.01 0.00 1.24 0.00 0.00 39.78 40.03 1bw3 n ASN 18 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1bw3 n ASN 19 N 1.48 -1.03 -1.29 1.20 2.85 -1.22 -3.39 115.26 113.86 1bw3 n ASN 19 Ca 0.56 0.23 0.00 0.00 -0.11 0.00 0.00 54.58 55.26 1bw3 n ASN 19 Cb 0.42 -1.00 0.00 0.00 1.24 0.00 0.00 39.78 40.44 1bw3 n ASN 19 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1bw3 n TRP 20 N -2.52 -1.38 0.00 1.20 7.02 0.70 -4.32 117.44 118.14 1bw3 n TRP 20 Ca 0.02 0.83 0.00 0.00 -1.02 0.00 0.00 57.50 57.32 1bw3 n TRP 20 Cb 0.45 -2.52 0.00 0.00 -2.42 0.00 0.00 31.31 26.83 1bw3 n TRP 20 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1bw3 n ASP 21 N 0.52 0.00 -0.27 -0.99 2.03 -1.22 -0.27 116.55 116.36 1bw3 n ASP 21 Ca 0.00 0.00 0.27 0.00 0.52 0.00 0.00 54.79 55.58 1bw3 n ASP 21 Cb 0.00 0.00 0.49 0.00 -0.72 0.00 0.00 41.12 40.89 1bw3 n ASP 21 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1bw3 n LEU 22 N -2.81 0.29 -1.17 -2.67 4.77 -1.26 0.60 117.00 114.74 1bw3 n LEU 22 Ca 0.00 1.39 0.10 0.00 -0.03 0.00 0.00 56.01 57.47 1bw3 n LEU 22 Cb 0.00 -0.67 0.27 0.00 -2.33 0.00 0.00 43.42 40.69 1bw3 n LEU 22 CO 0.00 -1.55 0.73 0.61 -1.33 0.00 0.00 177.39 175.85 1bw3 n GLY 23 N -1.22 2.41 3.44 -0.72 0.00 0.62 -4.39 105.19 105.34 1bw3 n GLY 23 Ca 0.32 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1bw3 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 s ALA 24 N -1.06 3.20 0.19 4.61 0.00 0.20 -4.95 121.76 123.95 1bw3 s ALA 24 Ca 0.42 -2.03 -0.21 0.00 0.00 0.00 0.00 51.96 50.14 1bw3 s ALA 24 Cb 0.22 -3.82 0.14 0.00 0.00 0.00 0.00 23.12 19.66 1bw3 s ALA 24 CO 0.29 -2.72 1.58 -1.35 0.00 0.00 0.00 175.76 173.55 1bw3 h PRO 25 N 9.41 -0.13 0.00 0.00 0.11 -1.90 0.19 132.00 139.68 1bw3 h PRO 25 Ca -0.23 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1bw3 h PRO 25 Cb 1.07 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1bw3 h PRO 25 CO 1.16 -0.08 0.19 0.00 -0.21 0.00 0.00 178.00 179.05 1bw3 n ALA 26 N -3.22 0.74 0.00 -0.75 0.00 -1.26 -3.30 120.51 112.72 1bw3 n ALA 26 Ca 0.05 0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 1bw3 n ALA 26 Cb 0.36 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 1bw3 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bw3 n VAL 27 N -1.90 0.88 -2.83 0.00 0.31 0.52 -5.08 118.33 110.23 1bw3 n VAL 27 Ca -0.01 0.19 -0.15 0.00 -0.01 0.00 0.00 64.34 64.36 1bw3 n VAL 27 Cb 0.21 -1.66 0.01 0.00 -0.91 0.00 0.00 33.84 31.48 1bw3 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw3 n SER 28 N -3.49 -2.50 -4.44 4.52 3.41 -0.36 -4.94 113.62 105.83 1bw3 n SER 28 Ca -0.06 -0.35 -0.31 0.00 -0.26 0.00 0.00 58.87 57.90 1bw3 n SER 28 Cb 0.29 -0.79 0.20 0.00 -0.26 0.00 0.00 64.21 63.64 1bw3 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw3 n ALA 29 N -1.05 -2.89 0.00 7.33 0.00 -1.26 -4.68 120.51 117.96 1bw3 n ALA 29 Ca -0.12 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1bw3 n ALA 29 Cb 0.35 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1bw3 n ALA 29 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bw3 n TYR 30 N -4.49 0.00 -1.08 0.00 4.01 -1.26 -0.04 117.16 114.30 1bw3 n TYR 30 Ca 0.04 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.87 1bw3 n TYR 30 Cb 0.56 -0.48 0.20 0.00 -0.31 0.00 0.00 39.34 39.31 1bw3 n TYR 30 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bw3 h ALA 32 N 0.85 1.49 0.00 0.00 0.00 -0.72 0.36 119.26 121.25 1bw3 h ALA 32 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1bw3 h ALA 32 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1bw3 h ALA 32 CO 0.12 0.05 0.00 2.41 0.00 0.00 0.00 179.25 181.83 1bw3 n THR 33 N -4.73 0.33 0.00 0.00 -1.04 -1.26 -3.21 114.28 104.36 1bw3 n THR 33 Ca 0.20 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1bw3 n THR 33 Cb 0.44 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 1bw3 n THR 33 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1bw3 n TRP 34 N -1.42 0.00 0.06 -1.42 8.01 -0.39 -4.88 117.44 117.41 1bw3 n TRP 34 Ca 0.08 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 56.06 1bw3 n TRP 34 Cb 0.24 0.06 -0.15 0.00 -2.01 0.00 0.00 31.31 29.45 1bw3 n TRP 34 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1bw3 h ASP 35 N 0.00 0.52 -1.66 -0.99 5.19 -0.53 -3.32 116.42 115.63 1bw3 h ASP 35 Ca 0.00 -0.94 0.51 0.00 -0.62 0.00 0.00 57.03 55.98 1bw3 h ASP 35 Cb 0.71 -0.17 -0.10 0.00 0.18 0.00 0.00 39.33 39.96 1bw3 h ASP 35 CO 0.00 1.47 1.15 0.00 -3.12 0.00 0.00 179.24 178.74 1bw3 n ALA 36 N -2.71 1.61 -0.20 3.45 0.00 -1.20 -0.06 120.51 121.41 1bw3 n ALA 36 Ca -0.16 0.71 0.01 0.00 0.00 0.00 0.00 53.44 54.00 1bw3 n ALA 36 Cb 0.87 -1.06 0.10 0.00 0.00 0.00 0.00 19.45 19.36 1bw3 n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bw3 h SER 37 N 0.00 -0.17 -3.33 0.00 4.64 -1.80 -3.43 113.55 109.45 1bw3 h SER 37 Ca 0.88 0.14 -0.57 0.00 -0.47 0.00 0.00 61.79 61.76 1bw3 h SER 37 Cb 3.25 0.22 0.12 0.00 -0.31 0.00 0.00 62.40 65.69 1bw3 h SER 37 CO -0.19 -0.07 0.43 0.29 -0.87 0.00 0.00 176.83 176.42 1bw3 n LYS 38 N -5.22 1.87 -1.26 4.77 5.02 0.91 -4.88 118.16 119.36 1bw3 n LYS 38 Ca 0.09 0.66 -0.36 0.00 -2.02 0.00 0.00 58.31 56.68 1bw3 n LYS 38 Cb 0.34 -2.28 0.08 0.00 -0.02 0.00 0.00 35.03 33.15 1bw3 n LYS 38 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1bw3 n PRO 39 N 0.27 0.34 -0.24 1.97 -0.04 -1.26 -4.62 135.00 131.42 1bw3 n PRO 39 Ca 0.07 0.17 -0.11 0.00 -0.04 0.00 0.00 63.50 63.58 1bw3 n PRO 39 Cb 0.38 -2.02 -0.09 0.00 -0.04 0.00 0.00 33.50 31.73 1bw3 n PRO 39 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bw3 h LEU 40 N -0.42 -1.74 -0.30 1.53 3.38 -1.90 -2.42 115.31 113.44 1bw3 h LEU 40 Ca -0.46 0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1bw3 h LEU 40 Cb 1.34 0.74 -0.04 0.00 0.09 0.00 0.00 40.66 42.79 1bw3 h LEU 40 CO 0.44 -0.27 -0.18 -1.54 0.09 0.00 0.00 178.44 176.98 1bw3 n SER 41 N -4.96 -0.32 -0.06 -0.43 3.41 -1.26 -0.11 113.62 109.89 1bw3 n SER 41 Ca -0.01 0.65 -0.11 0.00 -0.26 0.00 0.00 58.87 59.14 1bw3 n SER 41 Cb 0.26 -0.13 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 1bw3 n SER 41 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1bw3 h TRP 42 N 0.00 0.34 -0.66 7.33 7.01 -1.83 0.24 115.95 128.39 1bw3 h TRP 42 Ca 0.05 -0.06 0.11 0.00 2.11 0.00 0.00 58.89 61.10 1bw3 h TRP 42 Cb 0.12 -0.09 -0.08 0.00 -2.10 0.00 0.00 29.16 27.01 1bw3 h TRP 42 CO -0.42 0.51 0.25 -0.09 -2.79 0.00 0.00 178.44 175.89 1bw3 h ARG 43 N 0.08 0.41 0.00 2.65 2.43 -0.39 -1.71 114.38 117.86 1bw3 h ARG 43 Ca 0.05 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 1bw3 h ARG 43 Cb 0.36 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1bw3 h ARG 43 CO 0.01 0.27 -0.65 0.66 -1.51 0.00 0.00 179.97 178.75 1bw3 h SER 44 N 0.43 0.57 -0.86 -3.80 4.64 -0.42 -3.34 113.55 110.78 1bw3 h SER 44 Ca 0.34 -0.76 0.18 0.00 -0.47 0.00 0.00 61.79 61.08 1bw3 h SER 44 Cb 0.45 -0.18 -0.16 0.00 -0.31 0.00 0.00 62.40 62.20 1bw3 h SER 44 CO -0.34 1.26 -0.17 0.50 -0.87 0.00 0.00 176.83 177.21 1bw3 h LYS 45 N -0.05 0.01 -6.36 4.77 3.64 0.34 -3.43 116.57 115.49 1bw3 h LYS 45 Ca -0.08 -0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.80 1bw3 h LYS 45 Cb 1.36 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1bw3 h LYS 45 CO 0.13 0.01 -0.22 0.71 -2.27 0.00 0.00 179.45 177.80 1bw3 s TYR 46 N -6.22 1.92 0.57 1.91 2.02 -0.78 -5.08 117.35 111.70 1bw3 s TYR 46 Ca -0.14 -0.66 0.09 0.00 -0.37 0.00 0.00 57.07 55.99 1bw3 s TYR 46 Cb 0.24 -2.16 0.08 0.00 -0.40 0.00 0.00 41.96 39.72 1bw3 s TYR 46 CO 0.76 -0.69 0.72 0.20 -1.57 0.00 0.00 175.55 174.97 1bw3 s GLY 47 N -4.43 1.86 -0.30 0.71 0.00 -1.26 -4.90 107.32 99.00 1bw3 s GLY 47 Ca 0.52 -1.97 0.03 0.00 0.00 0.00 0.00 44.72 43.29 1bw3 s GLY 47 CO 0.32 -1.75 0.42 0.66 0.00 0.00 0.00 173.10 172.75 1bw3 s TRP 48 N -2.70 -1.01 0.38 1.90 1.48 -1.25 -0.83 118.94 116.90 1bw3 s TRP 48 Ca 0.56 0.25 0.02 0.00 -1.06 0.00 0.00 56.10 55.86 1bw3 s TRP 48 Cb -0.05 -0.14 -0.02 0.00 -1.16 0.00 0.00 33.47 32.10 1bw3 s TRP 48 CO 0.35 -1.00 0.57 0.95 -4.06 0.00 0.00 176.95 173.77 1bw3 s THR 49 N 2.43 4.55 0.30 0.66 -4.23 0.85 -2.84 115.64 117.36 1bw3 s THR 49 Ca 0.10 -0.58 0.09 0.00 -1.18 0.00 0.00 61.69 60.12 1bw3 s THR 49 Cb -0.12 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 1bw3 s THR 49 CO -0.27 -0.40 0.05 0.00 -0.54 0.00 0.00 174.62 173.46 1bw3 s ALA 50 N -2.37 3.30 -0.22 3.99 0.00 0.13 -0.66 121.76 125.93 1bw3 s ALA 50 Ca 0.43 -1.73 0.02 0.00 0.00 0.00 0.00 51.96 50.69 1bw3 s ALA 50 Cb -0.10 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.32 1bw3 s ALA 50 CO 0.36 0.17 -0.15 -0.59 0.00 0.00 0.00 175.76 175.55 1bw3 s PHE 51 N -2.37 3.00 -0.24 0.00 -0.12 -0.42 -4.86 117.98 112.96 1bw3 s PHE 51 Ca 0.34 -1.99 0.10 0.00 -0.05 0.00 0.00 56.93 55.33 1bw3 s PHE 51 Cb -0.05 -1.90 0.46 0.00 -0.63 0.00 0.00 43.02 40.90 1bw3 s PHE 51 CO 0.21 -0.84 1.33 0.00 -0.05 0.00 0.00 175.22 175.87 1bw3 n GLY 53 N -1.12 0.94 0.00 0.00 0.00 -1.26 -5.08 105.19 98.67 1bw3 n GLY 53 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1bw3 n GLY 53 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bw3 n PRO 54 N 0.00 0.00 -2.71 1.61 -0.04 -1.26 -4.62 135.00 127.98 1bw3 n PRO 54 Ca 0.00 0.32 -0.07 0.00 -0.04 0.00 0.00 63.50 63.70 1bw3 n PRO 54 Cb 0.00 -1.17 0.11 0.00 -0.04 0.00 0.00 33.50 32.40 1bw3 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 n ALA 55 N -1.21 0.85 0.00 0.55 0.00 -1.26 -4.99 120.51 114.44 1bw3 n ALA 55 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.08 1bw3 n ALA 55 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1bw3 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw3 n GLY 56 N -0.39 0.52 3.73 0.00 0.00 -1.26 0.23 105.19 108.01 1bw3 n GLY 56 Ca -0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 1bw3 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw3 s PRO 57 N -0.49 1.48 -0.28 1.61 0.04 -1.26 -4.45 135.00 131.65 1bw3 s PRO 57 Ca 0.00 0.91 0.08 0.00 0.04 0.00 0.00 61.00 62.03 1bw3 s PRO 57 Cb 0.00 -1.83 0.46 0.00 0.04 0.00 0.00 34.50 33.17 1bw3 s PRO 57 CO 0.00 -2.11 1.19 -2.13 0.04 0.00 0.00 177.00 173.99 1bw3 n ARG 58 N -3.81 3.34 0.00 4.56 0.63 -1.26 -5.05 116.66 115.08 1bw3 n ARG 58 Ca 0.08 -4.06 0.00 0.00 -0.92 0.00 0.00 57.85 52.95 1bw3 n ARG 58 Cb 0.55 -2.18 0.00 0.00 0.45 0.00 0.00 32.46 31.27 1bw3 n ARG 58 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bw3 n GLY 59 N -0.74 0.63 0.40 5.14 0.00 -1.26 -0.40 105.19 108.96 1bw3 n GLY 59 Ca 0.40 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 1bw3 n GLY 59 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1bw3 h GLN 60 N 0.00 -0.24 0.00 1.61 4.20 -2.02 0.10 115.11 118.76 1bw3 h GLN 60 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1bw3 h GLN 60 Cb 0.00 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1bw3 h GLN 60 CO 0.00 -0.16 0.00 0.00 -0.67 0.00 0.00 178.83 178.00 1bw3 n ALA 61 N -3.14 1.21 0.28 3.87 0.00 -0.94 -1.02 120.51 120.77 1bw3 n ALA 61 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1bw3 n ALA 61 Cb 0.35 -0.81 0.03 0.00 0.00 0.00 0.00 19.45 19.01 1bw3 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n ALA 62 N -0.75 2.79 0.29 0.00 0.00 0.47 -4.12 120.51 119.19 1bw3 n ALA 62 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1bw3 n ALA 62 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1bw3 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n GLY 64 N 1.04 0.41 3.38 0.00 0.00 -1.26 -5.05 105.19 103.70 1bw3 n GLY 64 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1bw3 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bw3 s LYS 65 N -0.01 1.43 0.39 1.61 1.02 -0.40 -4.83 119.74 118.95 1bw3 s LYS 65 Ca 0.00 -1.72 0.08 0.00 0.02 0.00 0.00 55.97 54.35 1bw3 s LYS 65 Cb 0.00 -0.92 -0.07 0.00 -0.52 0.00 0.00 37.83 36.32 1bw3 s LYS 65 CO 0.00 -0.00 0.01 0.00 -0.92 0.00 0.00 175.35 174.44 1bw3 s LEU 67 N -3.72 1.92 -0.19 0.00 0.20 0.62 -0.47 118.68 117.03 1bw3 s LEU 67 Ca 0.35 -0.43 -0.11 0.00 0.69 0.00 0.00 54.13 54.63 1bw3 s LEU 67 Cb 0.06 -1.13 -0.05 0.00 -0.43 0.00 0.00 46.19 44.64 1bw3 s LEU 67 CO 0.19 0.14 0.19 -0.60 -0.29 0.00 0.00 176.35 175.98 1bw3 s ARG 68 N 0.28 4.20 -0.11 1.98 3.52 0.35 -0.32 118.95 128.84 1bw3 s ARG 68 Ca -0.12 -0.11 0.03 0.00 -0.13 0.00 0.00 55.73 55.40 1bw3 s ARG 68 Cb -0.15 -3.44 0.01 0.00 -1.56 0.00 0.00 34.95 29.80 1bw3 s ARG 68 CO 0.05 0.23 -0.22 0.08 -0.81 0.00 0.00 175.30 174.63 1bw3 s VAL 69 N 0.53 2.00 0.03 7.11 1.01 0.17 -0.96 120.40 130.28 1bw3 s VAL 69 Ca 0.11 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.18 1bw3 s VAL 69 Cb -0.12 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1bw3 s VAL 69 CO 0.01 0.54 -0.18 -0.89 0.00 0.00 0.00 175.10 174.58 1bw3 s THR 70 N 0.57 1.45 -0.82 3.92 2.01 0.13 -0.48 115.64 122.42 1bw3 s THR 70 Ca -0.14 -1.03 -0.00 0.00 0.31 0.00 0.00 61.69 60.83 1bw3 s THR 70 Cb -0.17 -1.26 0.20 0.00 0.01 0.00 0.00 72.50 71.28 1bw3 s THR 70 CO 0.04 0.21 0.68 0.21 -0.69 0.00 0.00 174.62 175.07 1bw3 s ASN 71 N -0.96 5.65 0.29 3.53 2.47 0.55 -1.45 114.94 125.01 1bw3 s ASN 71 Ca 0.06 -3.68 0.01 0.00 0.42 0.00 0.00 52.86 49.67 1bw3 s ASN 71 Cb -0.08 -1.84 0.69 0.00 -1.45 0.00 0.00 41.25 38.57 1bw3 s ASN 71 CO 0.01 -0.18 1.63 -0.65 -3.72 0.00 0.00 177.10 174.19 1bw3 h PRO 72 N 5.96 0.14 -1.02 0.43 0.11 -1.85 0.25 132.00 136.02 1bw3 h PRO 72 Ca 0.14 -0.01 0.36 0.00 0.11 0.00 0.00 66.00 66.60 1bw3 h PRO 72 Cb 0.81 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 31.78 1bw3 h PRO 72 CO 0.81 0.09 0.66 0.00 -0.21 0.00 0.00 178.00 179.35 1bw3 n ALA 73 N -2.81 1.02 0.00 -0.75 0.00 -1.26 -2.44 120.51 114.26 1bw3 n ALA 73 Ca 0.21 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.30 1bw3 n ALA 73 Cb 0.68 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1bw3 n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bw3 n THR 74 N -4.20 0.00 0.00 0.00 -2.24 0.01 -5.03 114.28 102.82 1bw3 n THR 74 Ca 0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 1bw3 n THR 74 Cb 1.17 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1bw3 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw3 n GLY 75 N 2.13 0.64 3.77 3.38 0.00 0.66 -5.08 105.19 110.69 1bw3 n GLY 75 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1bw3 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 s ALA 76 N -2.00 3.51 0.03 4.61 0.00 -1.24 -4.71 121.76 121.97 1bw3 s ALA 76 Ca 0.00 1.26 -0.09 0.00 0.00 0.00 0.00 51.96 53.13 1bw3 s ALA 76 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1bw3 s ALA 76 CO 0.00 -0.65 0.18 1.14 0.00 0.00 0.00 175.76 176.43 1bw3 s GLN 77 N -1.59 0.65 0.07 0.00 -2.07 -1.26 -0.33 119.66 115.13 1bw3 s GLN 77 Ca 0.50 -0.60 -0.01 0.00 -1.82 0.00 0.00 55.36 53.44 1bw3 s GLN 77 Cb -0.40 0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 31.75 1bw3 s GLN 77 CO 0.51 -0.18 -0.01 -1.50 -1.32 0.00 0.00 175.29 172.79 1bw3 s ILE 78 N -2.38 0.24 -0.19 3.63 1.10 0.37 -5.00 121.20 118.97 1bw3 s ILE 78 Ca -0.07 -1.84 0.01 0.00 -0.51 0.00 0.00 60.65 58.24 1bw3 s ILE 78 Cb -0.02 -1.66 0.03 0.00 0.15 0.00 0.00 42.46 40.96 1bw3 s ILE 78 CO -0.03 -0.87 -0.17 -0.89 -2.11 0.00 0.00 174.94 170.88 1bw3 s THR 79 N -3.92 1.98 0.45 4.00 2.01 -1.26 -0.66 115.64 118.24 1bw3 s THR 79 Ca 0.11 -1.04 0.07 0.00 0.31 0.00 0.00 61.69 61.14 1bw3 s THR 79 Cb 0.08 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 1bw3 s THR 79 CO -0.07 0.38 0.34 0.00 -0.69 0.00 0.00 174.62 174.59 1bw3 s ALA 80 N 1.29 4.05 0.03 7.40 0.00 0.57 -4.39 121.76 130.70 1bw3 s ALA 80 Ca 0.02 -1.78 -0.10 0.00 0.00 0.00 0.00 51.96 50.09 1bw3 s ALA 80 Cb -0.15 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 1bw3 s ALA 80 CO -0.11 -0.28 0.35 0.50 0.00 0.00 0.00 175.76 176.22 1bw3 s ARG 81 N -4.12 3.73 -0.29 0.00 3.52 -0.01 -0.28 118.95 121.49 1bw3 s ARG 81 Ca 0.43 0.16 -0.22 0.00 -0.13 0.00 0.00 55.73 55.96 1bw3 s ARG 81 Cb -0.01 -3.09 -0.00 0.00 -1.56 0.00 0.00 34.95 30.28 1bw3 s ARG 81 CO 0.25 0.63 0.74 0.42 -0.81 0.00 0.00 175.30 176.53 1bw3 s ILE 82 N -1.26 4.85 0.00 4.11 1.01 -0.19 -0.10 121.20 129.62 1bw3 s ILE 82 Ca 0.28 1.14 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1bw3 s ILE 82 Cb -0.14 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1bw3 s ILE 82 CO 0.15 -0.17 0.00 0.55 0.00 0.00 0.00 174.94 175.47 1bw3 n VAL 83 N 5.43 0.00 -2.53 2.92 3.14 0.17 -4.29 118.33 123.17 1bw3 n VAL 83 Ca 0.02 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.16 1bw3 n VAL 83 Cb 0.48 0.00 0.12 0.00 -1.06 0.00 0.00 33.84 33.38 1bw3 n VAL 83 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1bw3 s ASP 84 N -1.15 4.19 0.01 6.55 2.15 -0.29 -4.23 116.67 123.90 1bw3 s ASP 84 Ca 0.00 -0.33 0.06 0.00 0.43 0.00 0.00 52.55 52.71 1bw3 s ASP 84 Cb 0.00 0.01 -0.02 0.00 -0.30 0.00 0.00 42.92 42.61 1bw3 s ASP 84 CO 0.00 -1.98 -0.19 -1.10 -0.17 0.00 0.00 175.17 171.74 1bw3 s GLN 85 N -5.22 1.43 0.55 4.34 -1.52 -1.26 -1.30 119.66 116.67 1bw3 s GLN 85 Ca 0.67 -0.75 0.07 0.00 -1.95 0.00 0.00 55.36 53.40 1bw3 s GLN 85 Cb -0.05 -1.43 0.05 0.00 -0.22 0.00 0.00 33.01 31.36 1bw3 s GLN 85 CO 0.45 0.38 0.50 0.00 -0.25 0.00 0.00 175.29 176.37 1bw3 n ALA 87 N -1.88 2.42 0.07 0.00 0.00 -1.26 -4.97 120.51 114.90 1bw3 n ALA 87 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1bw3 n ALA 87 Cb 0.64 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1bw3 n ALA 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw3 n ASN 88 N -3.08 0.27 -3.97 0.00 6.94 -1.26 -5.09 115.26 109.07 1bw3 n ASN 88 Ca -0.02 0.24 -0.22 0.00 -0.02 0.00 0.00 54.58 54.57 1bw3 n ASN 88 Cb 0.06 0.06 -0.16 0.00 -2.36 0.00 0.00 39.78 37.38 1bw3 n ASN 88 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1bw3 s GLY 89 N -4.69 0.61 0.00 4.83 0.00 -1.26 -5.04 107.32 101.77 1bw3 s GLY 89 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1bw3 s GLY 89 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 173.10 173.93 1bw3 n GLY 90 N 3.83 1.45 0.13 0.20 0.00 -1.22 -4.86 105.19 104.71 1bw3 n GLY 90 Ca -0.23 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.46 1bw3 n GLY 90 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bw3 h LEU 91 N 0.00 0.22 -8.79 0.99 5.85 -1.86 -3.44 115.31 108.28 1bw3 h LEU 91 Ca 0.00 -0.17 -0.34 0.00 0.84 0.00 0.00 57.88 58.21 1bw3 h LEU 91 Cb 0.00 -0.07 -0.14 0.00 0.37 0.00 0.00 40.66 40.82 1bw3 h LEU 91 CO 0.00 0.95 -0.58 1.51 -0.34 0.00 0.00 178.44 179.98 1bw3 s ASP 92 N -6.90 0.91 -0.19 1.25 1.47 -1.26 0.20 116.67 112.15 1bw3 s ASP 92 Ca -0.03 -1.49 0.21 0.00 1.18 0.00 0.00 52.55 52.42 1bw3 s ASP 92 Cb 0.11 0.38 0.48 0.00 -0.34 0.00 0.00 42.92 43.54 1bw3 s ASP 92 CO 0.82 -0.87 1.14 0.00 0.68 0.00 0.00 175.17 176.94 1bw3 n LEU 93 N -0.44 1.94 -0.05 2.11 -0.00 -1.13 -4.74 117.00 114.70 1bw3 n LEU 93 Ca 0.02 -3.04 -0.22 0.00 -0.00 0.00 0.00 56.01 52.78 1bw3 n LEU 93 Cb 0.65 0.18 -0.13 0.00 -0.00 0.00 0.00 43.42 44.12 1bw3 n LEU 93 CO 0.34 1.06 -0.66 0.44 -0.00 0.00 0.00 177.39 178.57 1bw3 h ASP 94 N 2.02 0.21 0.00 1.45 3.32 -1.95 -3.35 116.42 118.11 1bw3 h ASP 94 Ca -0.09 -0.73 0.00 0.00 0.02 0.00 0.00 57.03 56.24 1bw3 h ASP 94 Cb 1.46 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1bw3 h ASP 94 CO 0.22 1.68 0.00 1.87 -1.72 0.00 0.00 179.24 181.29 1bw3 n TRP 95 N -3.97 0.00 0.05 4.55 -0.00 -1.26 -3.50 117.44 113.31 1bw3 n TRP 95 Ca -0.32 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.20 1bw3 n TRP 95 Cb 0.86 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 32.11 1bw3 n TRP 95 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1bw3 n ASP 96 N 2.49 0.85 0.00 5.87 5.75 -1.26 -3.25 116.55 127.00 1bw3 n ASP 96 Ca 0.00 0.36 -0.22 0.00 -0.01 0.00 0.00 54.79 54.93 1bw3 n ASP 96 Cb 0.00 0.23 -0.14 0.00 -1.03 0.00 0.00 41.12 40.19 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1bw3 h THR 97 N 0.00 0.73 0.00 2.12 1.35 -1.98 -3.39 112.91 111.75 1bw3 h THR 97 Ca -0.13 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 1bw3 h THR 97 Cb 1.46 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 70.40 1bw3 h THR 97 CO 0.04 0.80 0.00 0.52 -0.25 0.00 0.00 175.52 176.63 1bw3 n VAL 98 N -3.66 0.00 0.00 6.82 0.31 -1.26 -4.63 118.33 115.91 1bw3 n VAL 98 Ca -0.31 0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1bw3 n VAL 98 Cb 0.99 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1bw3 n VAL 98 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1bw3 n PHE 99 N -1.95 0.00 -0.30 3.52 7.35 -1.24 -3.65 117.46 121.19 1bw3 n PHE 99 Ca 0.00 0.00 0.30 0.00 -0.76 0.00 0.00 57.45 56.99 1bw3 n PHE 99 Cb 0.00 0.00 0.55 0.00 0.35 0.00 0.00 39.48 40.38 1bw3 n PHE 99 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1bw3 n THR 100 N -0.45 -0.39 -0.34 -2.13 -2.24 -1.20 -1.02 114.28 106.51 1bw3 n THR 100 Ca 0.00 1.89 0.22 0.00 -2.27 0.00 0.00 64.05 63.89 1bw3 n THR 100 Cb 0.00 -3.07 0.48 0.00 -2.10 0.00 0.00 70.33 65.64 1bw3 n THR 100 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1bw3 h LYS 101 N 0.00 0.41 -0.68 -0.78 1.79 -1.75 0.16 116.57 115.72 1bw3 h LYS 101 Ca 0.79 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.23 1bw3 h LYS 101 Cb 2.09 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 32.64 1bw3 h LYS 101 CO -0.72 0.27 0.00 0.44 -1.08 0.00 0.00 179.45 178.36 1bw3 n ILE 102 N -4.71 1.19 -3.79 1.86 -5.35 -0.19 -4.60 119.36 103.77 1bw3 n ILE 102 Ca 0.27 -0.67 -0.31 0.00 -0.27 0.00 0.00 62.75 61.77 1bw3 n ILE 102 Cb 0.88 -0.23 -0.10 0.00 -1.74 0.00 0.00 39.64 38.46 1bw3 n ILE 102 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1bw3 n ASP 103 N 0.40 3.52 -0.35 7.28 -0.08 0.57 -4.76 116.55 123.13 1bw3 n ASP 103 Ca 0.14 -3.19 0.29 0.00 -1.51 0.00 0.00 54.79 50.52 1bw3 n ASP 103 Cb 0.64 -0.87 0.48 0.00 2.34 0.00 0.00 41.12 43.71 1bw3 n ASP 103 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1bw3 n THR 104 N 2.04 -0.16 -0.04 5.18 -2.24 -1.26 -1.30 114.28 116.50 1bw3 n THR 104 Ca 0.21 1.24 -0.06 0.00 -2.27 0.00 0.00 64.05 63.17 1bw3 n THR 104 Cb 0.36 -2.03 -0.04 0.00 -2.10 0.00 0.00 70.33 66.52 1bw3 n THR 104 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1bw3 n ASN 105 N -4.00 3.37 0.00 3.42 0.23 -1.26 -5.06 115.26 111.95 1bw3 n ASN 105 Ca 0.29 -0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.29 1bw3 n ASN 105 Cb 1.13 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.73 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw3 n GLY 106 N 3.09 0.76 0.12 4.83 0.00 -0.42 -5.05 105.19 108.52 1bw3 n GLY 106 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1bw3 n GLY 106 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1bw3 h ILE 107 N 0.00 1.16 0.00 -0.61 1.08 -1.97 -3.40 117.51 113.77 1bw3 h ILE 107 Ca 0.00 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 62.08 1bw3 h ILE 107 Cb 0.00 2.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 1bw3 h ILE 107 CO 0.00 0.65 0.00 0.61 -0.69 0.00 0.00 178.15 178.72 1bw3 n GLY 108 N 1.68 0.00 0.23 5.37 0.00 -1.26 -0.40 105.19 110.81 1bw3 n GLY 108 Ca -0.23 0.00 0.16 0.00 0.00 0.00 0.00 46.02 45.96 1bw3 n GLY 108 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bw3 n TYR 109 N -3.59 0.62 -2.68 1.61 9.36 -1.26 -3.92 117.16 117.31 1bw3 n TYR 109 Ca 0.00 0.84 -0.42 0.00 3.32 0.00 0.00 57.90 61.63 1bw3 n TYR 109 Cb 0.00 -1.14 -0.03 0.00 -0.63 0.00 0.00 39.34 37.54 1bw3 n TYR 109 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1bw3 s GLN 110 N -5.34 3.45 0.00 2.98 -0.21 0.46 -4.50 119.66 116.50 1bw3 s GLN 110 Ca -0.08 0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.36 1bw3 s GLN 110 Cb 0.22 -4.03 0.00 0.00 1.00 0.00 0.00 33.01 30.20 1bw3 s GLN 110 CO 0.55 -1.61 0.00 1.04 -2.12 0.00 0.00 175.29 173.14 1bw3 n GLN 111 N 8.09 0.00 -0.16 2.91 6.02 -1.25 -4.91 117.38 128.08 1bw3 n GLN 111 Ca 0.06 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.19 1bw3 n GLN 111 Cb 0.48 0.00 0.24 0.00 1.02 0.00 0.00 30.24 31.99 1bw3 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bw3 n GLY 112 N 1.60 -0.30 3.01 1.08 0.00 -1.26 -4.24 105.19 105.07 1bw3 n GLY 112 Ca 0.00 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 1bw3 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw3 s HIS 113 N -4.32 0.34 0.25 1.61 0.00 -1.26 -1.51 115.29 110.40 1bw3 s HIS 113 Ca -0.03 -0.61 0.02 0.00 -3.00 0.00 0.00 55.06 51.44 1bw3 s HIS 113 Cb 0.12 -0.24 -0.01 0.00 -4.00 0.00 0.00 32.58 28.45 1bw3 s HIS 113 CO 0.30 -0.20 0.06 1.47 -1.00 0.00 0.00 174.74 175.36 1bw3 n LEU 114 N 1.36 0.00 -4.36 5.38 -0.00 -0.59 -4.92 117.00 113.87 1bw3 n LEU 114 Ca -0.22 -1.77 -0.39 0.00 -0.00 0.00 0.00 56.01 53.63 1bw3 n LEU 114 Cb 0.56 0.47 -0.12 0.00 -0.00 0.00 0.00 43.42 44.33 1bw3 n LEU 114 CO 0.21 -0.27 -0.19 0.21 -0.00 0.00 0.00 177.39 177.35 1bw3 s ASN 115 N -2.46 5.58 0.38 1.45 3.84 -1.26 -2.25 114.94 120.22 1bw3 s ASN 115 Ca 0.08 -0.94 0.04 0.00 0.21 0.00 0.00 52.86 52.25 1bw3 s ASN 115 Cb 0.00 -1.98 -0.04 0.00 -0.55 0.00 0.00 41.25 38.68 1bw3 s ASN 115 CO 0.06 -0.33 0.08 0.68 -2.79 0.00 0.00 177.10 174.80 1bw3 s VAL 116 N 1.53 0.95 0.08 -5.21 -7.23 -1.25 -4.73 120.40 104.52 1bw3 s VAL 116 Ca 0.02 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1bw3 s VAL 116 Cb -0.19 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1bw3 s VAL 116 CO 0.05 0.00 -0.19 0.20 -0.31 0.00 0.00 175.10 174.86 1bw3 s ASN 117 N -3.58 2.23 -0.00 4.85 0.01 -0.53 -1.24 114.94 116.67 1bw3 s ASN 117 Ca 0.28 -0.62 -0.21 0.00 -0.71 0.00 0.00 52.86 51.60 1bw3 s ASN 117 Cb 0.05 -0.13 0.04 0.00 0.41 0.00 0.00 41.25 41.63 1bw3 s ASN 117 CO 0.14 0.04 0.47 -0.72 -1.51 0.00 0.00 177.10 175.52 1bw3 s TYR 118 N -1.09 -0.37 0.02 2.20 -0.85 -0.31 -0.69 117.35 116.26 1bw3 s TYR 118 Ca 0.04 0.54 0.02 0.00 -0.52 0.00 0.00 57.07 57.15 1bw3 s TYR 118 Cb -0.10 0.25 -0.02 0.00 0.38 0.00 0.00 41.96 42.48 1bw3 s TYR 118 CO 0.03 -0.53 -0.06 -0.65 -1.52 0.00 0.00 175.55 172.82 1bw3 s GLN 119 N -1.68 0.44 0.09 -3.49 -1.52 -0.13 -1.51 119.66 111.86 1bw3 s GLN 119 Ca -0.10 -0.53 -0.30 0.00 -1.95 0.00 0.00 55.36 52.48 1bw3 s GLN 119 Cb -0.02 -0.26 -0.06 0.00 -0.22 0.00 0.00 33.01 32.45 1bw3 s GLN 119 CO 0.04 0.05 1.12 -0.06 -0.25 0.00 0.00 175.29 176.19 1bw3 s PHE 120 N -0.94 3.54 0.28 0.91 0.40 0.24 -0.49 117.98 121.92 1bw3 s PHE 120 Ca -0.07 1.48 0.02 0.00 -0.60 0.00 0.00 56.93 57.76 1bw3 s PHE 120 Cb -0.07 -3.31 -0.05 0.00 0.51 0.00 0.00 43.02 40.10 1bw3 s PHE 120 CO 0.00 -0.80 0.10 0.08 0.70 0.00 0.00 175.22 175.30 1bw3 s VAL 121 N 0.60 0.66 0.49 -0.44 1.01 0.38 -4.85 120.40 118.25 1bw3 s VAL 121 Ca 0.54 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.48 1bw3 s VAL 121 Cb -0.28 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1bw3 s VAL 121 CO 0.31 0.00 0.78 -0.62 0.00 0.00 0.00 175.10 175.57 1bw3 s ASP 122 N -3.37 6.01 -0.01 3.32 -1.08 -1.26 -1.25 116.67 119.03 1bw3 s ASP 122 Ca 0.37 0.72 0.13 0.00 -0.52 0.00 0.00 52.55 53.25 1bw3 s ASP 122 Cb 0.07 -1.96 -0.20 0.00 -1.46 0.00 0.00 42.92 39.37 1bw3 s ASP 122 CO 0.14 -0.71 0.73 0.00 0.52 0.00 0.00 175.17 175.85 1bw3 n ARG 124 N -3.02 -0.69 0.00 0.00 1.74 -1.26 -5.08 116.66 108.35 1bw3 n ARG 124 Ca -0.14 0.04 0.15 0.00 -0.77 0.00 0.00 57.85 57.13 1bw3 n ARG 124 Cb 0.99 -0.87 0.78 0.00 -1.02 0.00 0.00 32.46 32.34 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64