#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 0.40 0.02 3.49 0.74 -1.26 -2.44 119.66 120.61 1bw3 s GLN 2 Ca 0.00 0.41 -0.03 0.00 0.05 0.00 0.00 55.36 55.79 1bw3 s GLN 2 Cb 0.00 0.19 -0.01 0.00 1.10 0.00 0.00 33.01 34.29 1bw3 s GLN 2 CO 0.00 -0.05 0.03 0.00 -0.55 0.00 0.00 175.29 174.72 1bw3 s ALA 3 N 0.07 0.01 0.22 1.58 0.00 -0.56 -4.97 121.76 118.10 1bw3 s ALA 3 Ca -0.01 -0.52 0.07 0.00 0.00 0.00 0.00 51.96 51.50 1bw3 s ALA 3 Cb -0.02 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 1bw3 s ALA 3 CO 0.01 -0.21 -0.11 0.54 0.00 0.00 0.00 175.76 175.98 1bw3 s ASN 4 N -1.67 2.48 -0.42 0.00 6.03 -1.26 -0.91 114.94 119.19 1bw3 s ASN 4 Ca -0.12 -1.08 -0.00 0.00 -1.03 0.00 0.00 52.86 50.63 1bw3 s ASN 4 Cb -0.07 -0.12 0.00 0.00 -3.03 0.00 0.00 41.25 38.04 1bw3 s ASN 4 CO -0.02 -0.26 0.30 0.47 -2.03 0.00 0.00 177.10 175.57 1bw3 n ASP 5 N -0.41 -2.41 -4.64 3.54 8.00 -0.72 -4.88 116.55 115.02 1bw3 n ASP 5 Ca -0.07 -0.50 -0.27 0.00 0.71 0.00 0.00 54.79 54.66 1bw3 n ASP 5 Cb 0.61 -0.80 -0.08 0.00 -0.02 0.00 0.00 41.12 40.83 1bw3 n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bw3 s VAL 6 N -2.52 3.59 -0.43 2.53 1.01 -0.11 -4.89 120.40 119.58 1bw3 s VAL 6 Ca 0.00 -1.48 -0.29 0.00 0.00 0.00 0.00 61.98 60.21 1bw3 s VAL 6 Cb -0.00 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1bw3 s VAL 6 CO 0.46 -0.11 1.23 -0.60 0.00 0.00 0.00 175.10 176.08 1bw3 s ARG 7 N -2.90 3.72 -0.20 2.72 3.52 -1.26 -2.90 118.95 121.65 1bw3 s ARG 7 Ca 0.27 0.78 0.01 0.00 -0.13 0.00 0.00 55.73 56.65 1bw3 s ARG 7 Cb -0.09 -3.93 0.04 0.00 -1.56 0.00 0.00 34.95 29.41 1bw3 s ARG 7 CO 0.18 -1.38 -0.11 0.00 -0.81 0.00 0.00 175.30 173.18 1bw3 s ALA 8 N 4.68 2.04 0.51 6.12 0.00 -0.88 -4.65 121.76 129.59 1bw3 s ALA 8 Ca 0.52 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1bw3 s ALA 8 Cb -0.10 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 1bw3 s ALA 8 CO 0.30 -0.78 0.09 0.95 0.00 0.00 0.00 175.76 176.31 1bw3 s THR 9 N 1.38 1.32 0.30 0.00 -4.23 -1.26 -0.95 115.64 112.20 1bw3 s THR 9 Ca -0.01 -1.89 0.06 0.00 -1.18 0.00 0.00 61.69 58.67 1bw3 s THR 9 Cb -0.16 -2.21 -0.06 0.00 1.34 0.00 0.00 72.50 71.41 1bw3 s THR 9 CO -0.08 0.00 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.24 1bw3 s TYR 10 N -2.84 2.00 -0.29 3.99 -0.85 -1.26 -4.03 117.35 114.06 1bw3 s TYR 10 Ca 0.13 -0.73 -0.13 0.00 -0.52 0.00 0.00 57.07 55.83 1bw3 s TYR 10 Cb 0.01 -1.18 0.11 0.00 0.38 0.00 0.00 41.96 41.28 1bw3 s TYR 10 CO 0.08 0.26 0.67 -3.38 -1.52 0.00 0.00 175.55 171.66 1bw3 s HIS 11 N -3.02 -1.22 -0.00 -3.49 -3.43 -0.35 -5.01 115.29 98.77 1bw3 s HIS 11 Ca 0.31 2.25 -0.30 0.00 -0.80 0.00 0.00 55.06 56.52 1bw3 s HIS 11 Cb 0.05 0.73 -0.03 0.00 -1.43 0.00 0.00 32.58 31.90 1bw3 s HIS 11 CO 0.13 -0.61 0.97 1.52 -2.00 0.00 0.00 174.74 174.75 1bw3 s TYR 12 N 2.34 3.66 -0.05 0.38 1.13 -1.25 -3.84 117.35 119.72 1bw3 s TYR 12 Ca -0.08 1.68 -0.04 0.00 -1.41 0.00 0.00 57.07 57.22 1bw3 s TYR 12 Cb -0.09 -3.11 -0.01 0.00 -1.10 0.00 0.00 41.96 37.65 1bw3 s TYR 12 CO -0.19 -0.01 -0.08 0.66 -2.51 0.00 0.00 175.55 173.42 1bw3 n TYR 13 N 3.89 0.12 0.00 -3.49 4.01 -1.26 -5.02 117.16 115.41 1bw3 n TYR 13 Ca 0.06 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1bw3 n TYR 13 Cb 0.51 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 1bw3 n TYR 13 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1bw3 n ARG 14 N -3.00 0.00 0.00 -0.72 5.12 -1.26 -5.03 116.66 111.77 1bw3 n ARG 14 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 1bw3 n ARG 14 Cb 0.11 -0.05 0.00 0.00 -1.16 0.00 0.00 32.46 31.36 1bw3 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1bw3 n PRO 15 N -2.50 0.00 0.00 5.56 -0.04 -1.26 -4.58 135.00 132.17 1bw3 n PRO 15 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1bw3 n PRO 15 Cb 0.04 -0.16 0.09 0.00 -0.04 0.00 0.00 33.50 33.42 1bw3 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 n ALA 16 N -1.32 1.85 -0.28 0.55 0.00 -1.26 -2.28 120.51 117.77 1bw3 n ALA 16 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 1bw3 n ALA 16 Cb 0.00 -1.05 0.06 0.00 0.00 0.00 0.00 19.45 18.46 1bw3 n ALA 16 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1bw3 h GLN 17 N 0.00 1.17 -0.52 0.00 1.08 -1.98 0.11 115.11 114.97 1bw3 h GLN 17 Ca 0.00 -0.24 -0.32 0.00 -1.45 0.00 0.00 58.65 56.65 1bw3 h GLN 17 Cb 0.00 -0.18 -0.19 0.00 -0.05 0.00 0.00 27.48 27.06 1bw3 h GLN 17 CO 0.00 0.97 -0.08 -1.71 -0.95 0.00 0.00 178.83 177.07 1bw3 n ASN 18 N -4.27 3.50 -4.17 1.46 5.15 -1.09 -4.92 115.26 110.93 1bw3 n ASN 18 Ca 0.06 -3.78 -0.36 0.00 -0.60 0.00 0.00 54.58 49.90 1bw3 n ASN 18 Cb 0.21 -0.63 -0.05 0.00 -0.53 0.00 0.00 39.78 38.78 1bw3 n ASN 18 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bw3 n ASN 19 N -1.04 -0.98 -1.03 1.20 4.05 0.03 -3.94 115.26 113.56 1bw3 n ASN 19 Ca 0.40 -1.23 0.00 0.00 0.45 0.00 0.00 54.58 54.20 1bw3 n ASN 19 Cb 1.01 -1.51 0.00 0.00 1.23 0.00 0.00 39.78 40.52 1bw3 n ASN 19 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 1bw3 n TRP 20 N -4.61 0.00 0.00 1.20 7.02 -0.97 -4.80 117.44 115.29 1bw3 n TRP 20 Ca -0.23 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.25 1bw3 n TRP 20 Cb 0.61 -1.16 0.00 0.00 -2.42 0.00 0.00 31.31 28.34 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 0.00 0.00 0.19 -0.99 2.03 -1.25 -3.81 116.55 112.71 1bw3 n ASP 21 Ca 0.00 -0.43 0.09 0.00 0.52 0.00 0.00 54.79 54.97 1bw3 n ASP 21 Cb 0.00 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.52 1bw3 n ASP 21 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1bw3 h LEU 22 N 2.85 0.00 -0.20 -2.67 3.38 -1.87 -3.15 115.31 113.65 1bw3 h LEU 22 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1bw3 h LEU 22 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1bw3 h LEU 22 CO 0.00 0.13 -0.93 1.23 0.09 0.00 0.00 178.44 178.96 1bw3 h GLY 23 N 3.87 0.38 -6.12 0.83 0.00 -1.88 -3.27 103.07 96.89 1bw3 h GLY 23 Ca -0.01 -0.67 -0.56 0.00 0.00 0.00 0.00 47.33 46.09 1bw3 h GLY 23 CO 0.02 0.60 1.36 0.00 0.00 0.00 0.00 176.54 178.51 1bw3 s ALA 24 N -3.23 3.17 0.15 3.60 0.00 -1.19 -4.78 121.76 119.48 1bw3 s ALA 24 Ca -0.05 1.06 -0.23 0.00 0.00 0.00 0.00 51.96 52.74 1bw3 s ALA 24 Cb 0.09 -3.95 0.01 0.00 0.00 0.00 0.00 23.12 19.26 1bw3 s ALA 24 CO 0.86 -2.16 1.30 -0.35 0.00 0.00 0.00 175.76 175.40 1bw3 n PRO 25 N 8.12 -0.33 -0.49 0.00 -0.04 -1.26 -0.93 135.00 140.07 1bw3 n PRO 25 Ca 0.25 1.27 0.37 0.00 -0.04 0.00 0.00 63.50 65.35 1bw3 n PRO 25 Cb 0.43 -1.88 0.58 0.00 -0.04 0.00 0.00 33.50 32.59 1bw3 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 n ALA 26 N -3.42 1.32 -0.02 0.55 0.00 -1.26 -2.27 120.51 115.41 1bw3 n ALA 26 Ca 0.03 0.47 -0.03 0.00 0.00 0.00 0.00 53.44 53.91 1bw3 n ALA 26 Cb 0.25 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 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 -3.40 0.76 -3.30 0.00 0.31 -0.11 -5.06 118.33 107.54 1bw3 n VAL 27 Ca 0.31 0.28 -0.20 0.00 -0.01 0.00 0.00 64.34 64.72 1bw3 n VAL 27 Cb 1.41 -1.74 0.01 0.00 -0.91 0.00 0.00 33.84 32.61 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 -3.38 -3.49 -4.78 4.52 3.41 -0.94 -4.93 113.62 104.03 1bw3 n SER 28 Ca -0.05 -0.58 -0.34 0.00 -0.26 0.00 0.00 58.87 57.64 1bw3 n SER 28 Cb 0.18 -1.13 0.01 0.00 -0.26 0.00 0.00 64.21 63.01 1bw3 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw3 s ALA 29 N -2.35 2.68 0.05 7.33 0.00 -1.25 -4.94 121.76 123.28 1bw3 s ALA 29 Ca 0.06 0.64 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 1bw3 s ALA 29 Cb -0.01 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1bw3 s ALA 29 CO 0.64 -0.82 0.99 0.98 0.00 0.00 0.00 175.76 177.54 1bw3 n TYR 30 N -1.66 -0.14 1.38 0.00 4.19 -1.26 0.10 117.16 119.78 1bw3 n TYR 30 Ca 0.10 0.39 0.00 0.00 3.31 0.00 0.00 57.90 61.70 1bw3 n TYR 30 Cb 0.52 -0.47 0.00 0.00 0.49 0.00 0.00 39.34 39.88 1bw3 n TYR 30 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw3 h ALA 32 N 2.38 1.00 0.00 0.00 0.00 -0.63 0.37 119.26 122.38 1bw3 h ALA 32 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1bw3 h ALA 32 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1bw3 h ALA 32 CO 0.00 0.00 -0.32 1.15 0.00 0.00 0.00 179.25 180.08 1bw3 h THR 33 N 0.00 0.26 0.00 0.00 2.02 -1.76 -3.34 112.91 110.08 1bw3 h THR 33 Ca 0.00 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1bw3 h THR 33 Cb 0.26 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1bw3 h THR 33 CO 0.00 0.15 -0.84 0.79 0.37 0.00 0.00 175.52 175.99 1bw3 n TRP 34 N -3.08 0.00 0.12 3.16 8.01 -0.56 -4.84 117.44 120.25 1bw3 n TRP 34 Ca 0.02 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.21 1bw3 n TRP 34 Cb 0.60 0.06 -0.02 0.00 -2.01 0.00 0.00 31.31 29.95 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 0.00 0.00 -0.99 5.19 -0.57 -3.10 116.42 116.95 1bw3 h ASP 35 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1bw3 h ASP 35 Cb 0.84 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.35 1bw3 h ASP 35 CO 0.00 0.64 0.21 0.00 -3.12 0.00 0.00 179.24 176.97 1bw3 h ALA 36 N 1.36 1.20 0.05 3.45 0.00 -1.66 0.44 119.26 124.11 1bw3 h ALA 36 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1bw3 h ALA 36 Cb 1.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1bw3 h ALA 36 CO 0.08 -0.20 -1.19 0.66 0.00 0.00 0.00 179.25 178.60 1bw3 h SER 37 N 0.00 0.18 -2.36 0.00 4.64 -1.81 -3.47 113.55 110.73 1bw3 h SER 37 Ca 0.00 -0.21 -0.60 0.00 -0.47 0.00 0.00 61.79 60.51 1bw3 h SER 37 Cb 0.41 -0.06 0.15 0.00 -0.31 0.00 0.00 62.40 62.59 1bw3 h SER 37 CO 0.00 1.17 -0.40 0.29 -0.87 0.00 0.00 176.83 177.02 1bw3 n LYS 38 N -3.40 0.58 -0.64 4.77 4.76 0.14 -4.95 118.16 119.43 1bw3 n LYS 38 Ca -0.06 0.21 -0.09 0.00 -2.87 0.00 0.00 58.31 55.50 1bw3 n LYS 38 Cb 0.99 -1.51 0.07 0.00 -1.84 0.00 0.00 35.03 32.73 1bw3 n LYS 38 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1bw3 n PRO 39 N 0.58 -1.12 0.09 1.97 -0.04 -1.26 -4.88 135.00 130.34 1bw3 n PRO 39 Ca 0.11 -0.33 -0.22 0.00 -0.04 0.00 0.00 63.50 63.02 1bw3 n PRO 39 Cb 0.40 -1.22 -0.15 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.34 0.62 0.00 1.53 3.38 -1.98 -3.31 115.31 113.20 1bw3 h LEU 40 Ca -0.11 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1bw3 h LEU 40 Cb 0.37 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1bw3 h LEU 40 CO 0.07 1.67 0.00 -1.54 0.09 0.00 0.00 178.44 178.73 1bw3 n SER 41 N -3.59 0.00 -0.21 -0.43 3.41 -1.26 -0.62 113.62 110.92 1bw3 n SER 41 Ca -0.20 0.76 0.02 0.00 -0.26 0.00 0.00 58.87 59.18 1bw3 n SER 41 Cb 1.07 -0.26 0.13 0.00 -0.26 0.00 0.00 64.21 64.90 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 0.23 -0.56 7.33 7.01 -1.96 0.46 115.95 128.46 1bw3 h TRP 42 Ca 0.00 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.05 1bw3 h TRP 42 Cb 0.00 -0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.02 1bw3 h TRP 42 CO -0.39 -0.04 0.36 0.00 -2.79 0.00 0.00 178.44 175.58 1bw3 h ARG 43 N 0.27 0.69 0.00 2.65 3.08 -1.58 -2.51 114.38 116.99 1bw3 h ARG 43 Ca 0.34 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 1bw3 h ARG 43 Cb 0.52 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1bw3 h ARG 43 CO -0.43 0.46 -0.46 0.66 -1.07 0.00 0.00 179.97 179.14 1bw3 h SER 44 N 0.71 0.00 0.77 7.04 4.64 -0.25 -3.36 113.55 123.10 1bw3 h SER 44 Ca 0.22 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.50 1bw3 h SER 44 Cb -0.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1bw3 h SER 44 CO -0.07 0.03 -0.37 0.50 -0.87 0.00 0.00 176.83 176.05 1bw3 h LYS 45 N 0.00 -0.99 0.00 4.77 3.64 0.24 -3.46 116.57 120.77 1bw3 h LYS 45 Ca -0.00 0.07 -0.37 0.00 -1.27 0.00 0.00 60.65 59.08 1bw3 h LYS 45 Cb 1.03 0.23 0.10 0.00 -0.41 0.00 0.00 32.23 33.18 1bw3 h LYS 45 CO 0.00 -0.65 0.20 0.66 -2.27 0.00 0.00 179.45 177.39 1bw3 n TYR 46 N -5.47 -3.44 -1.86 1.91 4.01 -0.98 -5.08 117.16 106.26 1bw3 n TYR 46 Ca -0.13 -1.23 -0.30 0.00 -0.16 0.00 0.00 57.90 56.08 1bw3 n TYR 46 Cb 0.41 -0.70 0.19 0.00 -0.31 0.00 0.00 39.34 38.93 1bw3 n TYR 46 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1bw3 s GLY 47 N -4.92 1.76 -0.53 2.72 0.00 -1.26 -4.90 107.32 100.18 1bw3 s GLY 47 Ca 0.57 -1.15 0.04 0.00 0.00 0.00 0.00 44.72 44.17 1bw3 s GLY 47 CO 0.39 -0.39 0.33 0.86 0.00 0.00 0.00 173.10 174.29 1bw3 s TRP 48 N -3.80 2.65 0.19 1.90 -0.00 -1.26 -3.54 118.94 115.08 1bw3 s TRP 48 Ca 0.73 -2.87 0.10 0.00 -0.00 0.00 0.00 56.10 54.06 1bw3 s TRP 48 Cb -0.05 -2.26 -0.04 0.00 -0.00 0.00 0.00 33.47 31.12 1bw3 s TRP 48 CO 0.53 -0.71 -0.20 0.95 -0.00 0.00 0.00 176.95 177.52 1bw3 s THR 49 N -0.36 2.06 0.07 5.86 -4.23 -0.91 0.20 115.64 118.32 1bw3 s THR 49 Ca 0.21 -2.04 0.08 0.00 -1.18 0.00 0.00 61.69 58.77 1bw3 s THR 49 Cb -0.16 -2.00 -0.03 0.00 1.34 0.00 0.00 72.50 71.65 1bw3 s THR 49 CO -0.07 -0.29 -0.23 0.00 -0.54 0.00 0.00 174.62 173.50 1bw3 s ALA 50 N -2.06 1.97 -0.08 3.99 0.00 0.87 -1.06 121.76 125.39 1bw3 s ALA 50 Ca 0.19 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 1bw3 s ALA 50 Cb -0.06 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.74 1bw3 s ALA 50 CO 0.09 0.44 0.08 0.12 0.00 0.00 0.00 175.76 176.48 1bw3 s PHE 51 N -0.91 0.08 -0.15 0.00 5.36 0.75 -4.61 117.98 118.50 1bw3 s PHE 51 Ca 0.09 0.11 -0.12 0.00 -0.96 0.00 0.00 56.93 56.05 1bw3 s PHE 51 Cb -0.09 -0.53 -0.08 0.00 -0.34 0.00 0.00 43.02 41.97 1bw3 s PHE 51 CO 0.03 -0.30 0.02 0.00 -1.46 0.00 0.00 175.22 173.52 1bw3 n GLY 53 N 1.60 -0.75 0.50 0.00 0.00 -1.26 -4.14 105.19 101.13 1bw3 n GLY 53 Ca -0.13 0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1bw3 n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bw3 h PRO 54 N 0.00 -0.85 -1.09 1.61 0.13 -2.01 -3.38 132.00 126.41 1bw3 h PRO 54 Ca 0.00 0.06 -0.38 0.00 -0.87 0.00 0.00 66.00 64.81 1bw3 h PRO 54 Cb 0.00 0.19 -0.40 0.00 0.13 0.00 0.00 31.00 30.92 1bw3 h PRO 54 CO 0.00 -0.56 -1.18 0.00 -0.23 0.00 0.00 178.00 176.02 1bw3 n ALA 55 N -2.88 3.38 0.00 -0.56 0.00 -1.26 -5.00 120.51 114.18 1bw3 n ALA 55 Ca -0.10 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.14 1bw3 n ALA 55 Cb 0.44 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.05 -1.88 3.55 0.00 0.00 -1.26 -3.98 105.19 101.57 1bw3 n GLY 56 Ca 0.11 0.87 -0.39 0.00 0.00 0.00 0.00 46.02 46.62 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 0.00 2.68 -0.37 1.61 0.05 -1.26 -4.53 135.00 133.18 1bw3 s PRO 57 Ca 0.00 0.54 0.01 0.00 0.05 0.00 0.00 61.00 61.60 1bw3 s PRO 57 Cb 0.00 -4.37 0.15 0.00 0.05 0.00 0.00 34.50 30.33 1bw3 s PRO 57 CO 0.00 -2.68 0.25 0.50 0.05 0.00 0.00 177.00 175.13 1bw3 s ARG 58 N 6.92 0.68 0.00 4.56 6.06 -1.26 -4.97 118.95 130.94 1bw3 s ARG 58 Ca 0.64 -1.60 0.00 0.00 -2.50 0.00 0.00 55.73 52.27 1bw3 s ARG 58 Cb -0.12 -1.35 0.00 0.00 0.06 0.00 0.00 34.95 33.54 1bw3 s ARG 58 CO 0.20 -1.27 0.00 0.41 -2.50 0.00 0.00 175.30 172.14 1bw3 n GLY 59 N 3.63 0.18 0.00 8.12 0.00 -1.26 -4.74 105.19 111.12 1bw3 n GLY 59 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1bw3 n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bw3 n GLN 60 N -1.05 0.00 -1.37 1.61 6.02 -1.26 -0.26 117.38 121.06 1bw3 n GLN 60 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 1bw3 n GLN 60 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 1bw3 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw3 n ALA 61 N 0.00 6.25 1.03 -1.58 0.00 -1.26 -4.45 120.51 120.50 1bw3 n ALA 61 Ca 0.00 -2.78 0.11 0.00 0.00 0.00 0.00 53.44 50.77 1bw3 n ALA 61 Cb 0.00 -2.03 0.03 0.00 0.00 0.00 0.00 19.45 17.45 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 0.86 3.68 -1.00 0.00 0.00 0.65 -4.57 120.51 120.12 1bw3 n ALA 62 Ca 0.46 -0.60 -0.16 0.00 0.00 0.00 0.00 53.44 53.14 1bw3 n ALA 62 Cb 0.57 -0.84 -0.14 0.00 0.00 0.00 0.00 19.45 19.05 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 2.72 0.81 3.09 0.00 0.00 -1.26 -5.10 105.19 105.45 1bw3 n GLY 64 Ca 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 0.60 0.33 1.61 1.02 -1.03 -4.86 119.74 117.41 1bw3 s LYS 65 Ca 0.00 -1.14 0.10 0.00 0.02 0.00 0.00 55.97 54.96 1bw3 s LYS 65 Cb 0.00 0.11 -0.06 0.00 -0.52 0.00 0.00 37.83 37.36 1bw3 s LYS 65 CO 0.00 -0.08 -0.12 0.00 -0.92 0.00 0.00 175.35 174.23 1bw3 s LEU 67 N -3.59 2.02 -0.21 0.00 0.20 0.78 -0.31 118.68 117.57 1bw3 s LEU 67 Ca 0.32 -0.40 -0.14 0.00 0.69 0.00 0.00 54.13 54.59 1bw3 s LEU 67 Cb 0.00 -1.13 -0.04 0.00 -0.43 0.00 0.00 46.19 44.59 1bw3 s LEU 67 CO 0.16 0.24 0.32 -0.60 -0.29 0.00 0.00 176.35 176.18 1bw3 s ARG 68 N -0.33 4.16 -0.18 1.98 3.52 0.36 -0.21 118.95 128.24 1bw3 s ARG 68 Ca 0.04 0.07 -0.00 0.00 -0.13 0.00 0.00 55.73 55.70 1bw3 s ARG 68 Cb -0.10 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1bw3 s ARG 68 CO 0.01 0.02 -0.15 0.08 -0.81 0.00 0.00 175.30 174.45 1bw3 s VAL 69 N 1.15 2.59 0.10 7.11 1.01 0.19 -0.64 120.40 131.91 1bw3 s VAL 69 Ca 0.16 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.46 1bw3 s VAL 69 Cb -0.14 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1bw3 s VAL 69 CO 0.07 0.50 -0.24 -0.89 0.00 0.00 0.00 175.10 174.54 1bw3 s THR 70 N 1.12 2.41 -0.48 3.92 2.01 0.19 0.01 115.64 124.82 1bw3 s THR 70 Ca 0.00 -1.56 -0.01 0.00 0.31 0.00 0.00 61.69 60.44 1bw3 s THR 70 Cb -0.14 -2.04 0.13 0.00 0.01 0.00 0.00 72.50 70.45 1bw3 s THR 70 CO -0.05 0.18 0.26 0.21 -0.69 0.00 0.00 174.62 174.53 1bw3 s ASN 71 N -1.82 5.02 0.00 3.53 2.47 0.55 -2.12 114.94 122.57 1bw3 s ASN 71 Ca 0.14 -2.46 0.00 0.00 0.42 0.00 0.00 52.86 50.96 1bw3 s ASN 71 Cb -0.10 -1.77 0.00 0.00 -1.45 0.00 0.00 41.25 37.93 1bw3 s ASN 71 CO 0.06 -0.41 0.84 -2.65 -3.72 0.00 0.00 177.10 171.21 1bw3 n PRO 72 N 3.96 0.00 -0.10 0.43 -0.02 -1.26 0.08 135.00 138.09 1bw3 n PRO 72 Ca 0.03 0.35 -0.22 0.00 -2.02 0.00 0.00 63.50 61.64 1bw3 n PRO 72 Cb 0.39 -1.54 -0.12 0.00 -0.02 0.00 0.00 33.50 32.21 1bw3 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw3 h ALA 73 N 1.80 0.27 0.00 3.55 0.00 -1.92 -3.40 119.26 119.56 1bw3 h ALA 73 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.68 1bw3 h ALA 73 Cb 0.08 0.75 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1bw3 h ALA 73 CO 0.00 0.73 -1.41 0.25 0.00 0.00 0.00 179.25 178.82 1bw3 n THR 74 N -4.41 0.19 -0.66 0.00 -2.24 -0.87 -4.95 114.28 101.34 1bw3 n THR 74 Ca -0.32 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1bw3 n THR 74 Cb 0.69 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.30 0.82 3.91 3.38 0.00 0.11 -5.04 105.19 109.67 1bw3 n GLY 75 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.25 3.07 -0.27 4.61 0.00 -1.24 -4.82 121.76 119.85 1bw3 s ALA 76 Ca 0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 51.96 51.04 1bw3 s ALA 76 Cb 0.00 -2.74 0.07 0.00 0.00 0.00 0.00 23.12 20.45 1bw3 s ALA 76 CO 0.00 -1.19 0.71 1.14 0.00 0.00 0.00 175.76 176.43 1bw3 s GLN 77 N -5.25 0.79 0.23 0.00 1.03 -1.26 -0.33 119.66 114.87 1bw3 s GLN 77 Ca 0.58 1.09 0.08 0.00 0.04 0.00 0.00 55.36 57.15 1bw3 s GLN 77 Cb -0.11 0.30 -0.05 0.00 0.03 0.00 0.00 33.01 33.19 1bw3 s GLN 77 CO 0.47 -0.12 -0.13 -1.50 -2.54 0.00 0.00 175.29 171.47 1bw3 s ILE 78 N 0.87 1.79 -0.29 3.63 1.10 0.10 -4.97 121.20 123.43 1bw3 s ILE 78 Ca -0.04 -2.21 -0.07 0.00 -0.51 0.00 0.00 60.65 57.82 1bw3 s ILE 78 Cb -0.05 -2.15 0.01 0.00 0.15 0.00 0.00 42.46 40.42 1bw3 s ILE 78 CO -0.07 -0.52 0.08 -0.89 -2.11 0.00 0.00 174.94 171.43 1bw3 s THR 79 N -2.94 3.93 0.39 4.00 2.01 -1.26 -0.64 115.64 121.13 1bw3 s THR 79 Ca 0.25 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.62 1bw3 s THR 79 Cb -0.00 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 1bw3 s THR 79 CO 0.09 0.08 0.35 0.00 -0.69 0.00 0.00 174.62 174.45 1bw3 s ALA 80 N 1.49 3.99 -0.06 7.40 0.00 0.70 -4.05 121.76 131.24 1bw3 s ALA 80 Ca 0.02 -1.80 0.04 0.00 0.00 0.00 0.00 51.96 50.22 1bw3 s ALA 80 Cb -0.17 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 1bw3 s ALA 80 CO 0.02 -0.15 -0.17 0.50 0.00 0.00 0.00 175.76 175.97 1bw3 s ARG 81 N -4.09 2.58 -0.55 0.00 3.00 -1.23 -0.16 118.95 118.50 1bw3 s ARG 81 Ca 0.46 -0.75 -0.28 0.00 -1.00 0.00 0.00 55.73 54.16 1bw3 s ARG 81 Cb -0.04 -2.35 0.03 0.00 0.00 0.00 0.00 34.95 32.59 1bw3 s ARG 81 CO 0.27 0.53 1.24 0.42 0.00 0.00 0.00 175.30 177.77 1bw3 s ILE 82 N -0.51 3.99 -0.07 4.11 1.01 -0.81 -2.15 121.20 126.78 1bw3 s ILE 82 Ca 0.07 0.91 0.03 0.00 0.00 0.00 0.00 60.65 61.66 1bw3 s ILE 82 Cb -0.12 -4.62 -0.06 0.00 0.01 0.00 0.00 42.46 37.67 1bw3 s ILE 82 CO 0.01 -1.22 -0.02 0.55 0.00 0.00 0.00 174.94 174.26 1bw3 n VAL 83 N 6.77 0.43 -4.14 2.92 3.14 -0.22 -4.52 118.33 122.70 1bw3 n VAL 83 Ca 0.10 -0.21 -0.08 0.00 -2.96 0.00 0.00 64.34 61.19 1bw3 n VAL 83 Cb 0.49 -0.81 -0.03 0.00 -1.06 0.00 0.00 33.84 32.44 1bw3 n VAL 83 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1bw3 n ASP 84 N -2.46 0.48 -4.94 6.55 2.03 -1.21 -2.06 116.55 114.95 1bw3 n ASP 84 Ca -0.12 -1.76 -0.20 0.00 0.52 0.00 0.00 54.79 53.24 1bw3 n ASP 84 Cb 0.67 0.45 -0.01 0.00 -0.72 0.00 0.00 41.12 41.51 1bw3 n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bw3 s GLN 85 N -2.51 2.93 0.27 -0.67 -2.07 -1.26 -0.18 119.66 116.17 1bw3 s GLN 85 Ca 0.10 -1.16 -0.10 0.00 -1.82 0.00 0.00 55.36 52.38 1bw3 s GLN 85 Cb 0.00 -2.68 -0.07 0.00 -1.09 0.00 0.00 33.01 29.18 1bw3 s GLN 85 CO 0.07 0.02 0.61 0.00 -1.32 0.00 0.00 175.29 174.67 1bw3 n ALA 87 N -0.43 3.00 0.00 0.00 0.00 -1.26 -4.74 120.51 117.08 1bw3 n ALA 87 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1bw3 n ALA 87 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.95 0.03 0.14 0.00 2.04 -1.26 -4.99 115.26 108.28 1bw3 n ASN 88 Ca 0.00 0.00 -0.12 0.00 -0.44 0.00 0.00 54.58 54.02 1bw3 n ASN 88 Cb 0.00 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.18 1bw3 n ASN 88 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1bw3 h GLY 89 N 0.00 -1.13 0.00 4.83 0.00 -1.97 -3.50 103.07 101.30 1bw3 h GLY 89 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1bw3 h GLY 89 CO 0.00 -0.34 0.00 0.61 0.00 0.00 0.00 176.54 176.81 1bw3 n GLY 90 N -1.36 -0.53 0.51 4.60 0.00 -1.26 -4.12 105.19 103.03 1bw3 n GLY 90 Ca -0.07 0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 1bw3 n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bw3 n LEU 91 N 0.00 1.13 -4.96 0.99 7.99 -1.26 -4.82 117.00 116.07 1bw3 n LEU 91 Ca 0.00 0.20 -0.24 0.00 -0.01 0.00 0.00 56.01 55.96 1bw3 n LEU 91 Cb 0.00 -0.47 0.07 0.00 -0.11 0.00 0.00 43.42 42.91 1bw3 n LEU 91 CO 0.00 0.31 0.53 1.51 -1.51 0.00 0.00 177.39 178.23 1bw3 s ASP 92 N -6.42 4.75 -0.21 -1.43 1.47 -1.26 -0.09 116.67 113.48 1bw3 s ASP 92 Ca -0.22 0.09 -0.16 0.00 1.18 0.00 0.00 52.55 53.44 1bw3 s ASP 92 Cb 0.08 -0.72 -0.08 0.00 -0.34 0.00 0.00 42.92 41.86 1bw3 s ASP 92 CO 0.28 -1.58 -0.28 0.18 0.68 0.00 0.00 175.17 174.45 1bw3 n LEU 93 N -2.76 1.92 0.00 2.11 4.32 0.53 -4.70 117.00 118.42 1bw3 n LEU 93 Ca 0.10 0.39 0.00 0.00 -0.02 0.00 0.00 56.01 56.48 1bw3 n LEU 93 Cb 0.60 -0.80 0.00 0.00 -1.62 0.00 0.00 43.42 41.60 1bw3 n LEU 93 CO 0.47 -0.01 0.00 -0.67 -1.22 0.00 0.00 177.39 175.96 1bw3 n ASP 94 N -4.42 0.00 0.00 -1.43 2.03 -1.25 -4.23 116.55 107.25 1bw3 n ASP 94 Ca -0.26 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.05 1bw3 n ASP 94 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1bw3 n ASP 94 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1bw3 n TRP 95 N 0.00 0.00 0.15 -0.67 -0.00 -1.26 -1.21 117.44 114.46 1bw3 n TRP 95 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.58 1bw3 n TRP 95 Cb 0.00 0.00 0.45 0.00 -0.00 0.00 0.00 31.31 31.76 1bw3 n TRP 95 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1bw3 n ASP 96 N 0.00 0.43 -0.03 5.87 2.03 -1.26 -2.95 116.55 120.63 1bw3 n ASP 96 Ca 0.00 0.65 -0.02 0.00 0.52 0.00 0.00 54.79 55.93 1bw3 n ASP 96 Cb 0.00 -0.65 -0.01 0.00 -0.72 0.00 0.00 41.12 39.74 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1bw3 n THR 97 N -2.11 0.65 0.00 5.18 -2.24 -1.26 -4.89 114.28 109.61 1bw3 n THR 97 Ca -0.01 0.37 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1bw3 n THR 97 Cb 0.17 -1.91 0.00 0.00 -2.10 0.00 0.00 70.33 66.49 1bw3 n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1bw3 n VAL 98 N -3.34 0.00 0.00 2.28 0.31 -1.15 -4.65 118.33 111.78 1bw3 n VAL 98 Ca -0.03 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1bw3 n VAL 98 Cb 0.12 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 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 -1.30 0.00 -0.35 3.52 7.35 -1.21 -1.33 117.46 124.15 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 -0.16 0.50 0.00 0.35 0.00 0.00 39.48 40.16 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 -1.80 -0.18 -0.08 -2.13 -2.24 -1.24 -0.34 114.28 106.26 1bw3 n THR 100 Ca 0.00 1.32 -0.13 0.00 -2.27 0.00 0.00 64.05 62.97 1bw3 n THR 100 Cb 0.00 -2.16 -0.05 0.00 -2.10 0.00 0.00 70.33 66.02 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 0.59 -0.00 -0.78 1.79 -1.47 -3.25 116.57 113.45 1bw3 h LYS 101 Ca 0.65 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1bw3 h LYS 101 Cb 2.09 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.75 1bw3 h LYS 101 CO -0.34 0.91 -0.23 0.44 -1.08 0.00 0.00 179.45 179.16 1bw3 n ILE 102 N -4.35 0.00 -4.00 1.86 -5.35 0.54 -4.77 119.36 103.28 1bw3 n ILE 102 Ca -0.05 -0.01 -0.34 0.00 -0.27 0.00 0.00 62.75 62.08 1bw3 n ILE 102 Cb 0.44 -0.12 -0.06 0.00 -1.74 0.00 0.00 39.64 38.16 1bw3 n ILE 102 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1bw3 s ASP 103 N -2.92 6.06 -0.17 7.28 2.15 -1.02 -4.72 116.67 123.32 1bw3 s ASP 103 Ca 0.15 0.29 -0.16 0.00 0.43 0.00 0.00 52.55 53.27 1bw3 s ASP 103 Cb 0.19 -1.85 -0.22 0.00 -0.30 0.00 0.00 42.92 40.73 1bw3 s ASP 103 CO 0.59 0.31 0.27 0.35 -0.17 0.00 0.00 175.17 176.53 1bw3 n THR 104 N 1.36 1.64 0.00 1.71 -2.24 -1.26 -4.89 114.28 110.60 1bw3 n THR 104 Ca -0.14 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1bw3 n THR 104 Cb 0.53 -1.92 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 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 -4.05 0.00 -0.08 3.42 0.23 -1.26 -5.09 115.26 108.43 1bw3 n ASN 105 Ca -0.32 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.73 1bw3 n ASN 105 Cb 0.83 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.53 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 4.85 0.73 0.14 4.83 0.00 -1.26 -4.96 105.19 109.51 1bw3 n GLY 106 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 2.52 0.99 0.08 -0.61 1.08 -2.01 -2.56 117.51 117.00 1bw3 h ILE 107 Ca 0.00 -0.11 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1bw3 h ILE 107 Cb 0.73 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 1bw3 h ILE 107 CO 0.00 0.06 -0.16 1.23 -0.69 0.00 0.00 178.15 178.59 1bw3 h GLY 108 N 0.32 -0.28 -0.42 5.37 0.00 -1.93 -3.00 103.07 103.14 1bw3 h GLY 108 Ca 0.13 0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.69 1bw3 h GLY 108 CO -0.09 -0.16 -0.31 -1.82 0.00 0.00 0.00 176.54 174.17 1bw3 h TYR 109 N -0.31 -0.97 -0.69 5.60 3.20 -1.80 -1.89 116.97 120.10 1bw3 h TYR 109 Ca 0.03 0.06 0.13 0.00 3.14 0.00 0.00 58.73 62.09 1bw3 h TYR 109 Cb 0.33 0.48 -0.13 0.00 1.54 0.00 0.00 36.73 38.95 1bw3 h TYR 109 CO -0.18 -0.22 -0.22 1.96 -1.64 0.00 0.00 178.16 177.86 1bw3 h GLN 110 N -0.08 -0.04 -0.75 1.82 4.20 -1.41 -0.56 115.11 118.29 1bw3 h GLN 110 Ca 0.07 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.93 1bw3 h GLN 110 Cb 0.25 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.94 1bw3 h GLN 110 CO -0.43 -0.03 0.26 1.96 -0.67 0.00 0.00 178.83 179.92 1bw3 h GLN 111 N -0.04 0.37 0.00 1.46 1.08 -1.21 -3.46 115.11 113.31 1bw3 h GLN 111 Ca 0.32 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 1bw3 h GLN 111 Cb 0.54 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1bw3 h GLN 111 CO -0.73 0.24 0.00 0.41 -0.95 0.00 0.00 178.83 177.80 1bw3 n GLY 112 N -1.33 0.71 3.44 3.46 0.00 -0.22 -5.07 105.19 106.18 1bw3 n GLY 112 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.12 0.18 0.16 1.61 0.00 -1.26 -4.34 115.29 110.53 1bw3 s HIS 113 Ca 0.00 -0.54 0.03 0.00 -3.00 0.00 0.00 55.06 51.55 1bw3 s HIS 113 Cb 0.00 0.15 -0.05 0.00 -4.00 0.00 0.00 32.58 28.69 1bw3 s HIS 113 CO 0.00 -0.83 -0.03 -1.17 -1.00 0.00 0.00 174.74 171.71 1bw3 s LEU 114 N -2.93 2.29 -0.43 5.38 2.96 -0.13 -4.85 118.68 120.97 1bw3 s LEU 114 Ca 0.14 -1.11 -0.03 0.00 -0.22 0.00 0.00 54.13 52.91 1bw3 s LEU 114 Cb 0.01 -0.16 0.11 0.00 0.50 0.00 0.00 46.19 46.66 1bw3 s LEU 114 CO -0.00 -0.49 0.23 0.21 -1.32 0.00 0.00 176.35 174.98 1bw3 s ASN 115 N -3.17 5.26 0.51 3.68 3.84 -1.26 -2.07 114.94 121.74 1bw3 s ASN 115 Ca 0.21 -2.10 0.07 0.00 0.21 0.00 0.00 52.86 51.25 1bw3 s ASN 115 Cb 0.05 -1.84 0.03 0.00 -0.55 0.00 0.00 41.25 38.95 1bw3 s ASN 115 CO 0.02 -0.53 0.50 0.68 -2.79 0.00 0.00 177.10 174.98 1bw3 s VAL 116 N 1.05 2.07 0.04 -5.21 -7.23 -1.14 -4.76 120.40 105.21 1bw3 s VAL 116 Ca 0.09 -1.32 0.07 0.00 -1.81 0.00 0.00 61.98 59.01 1bw3 s VAL 116 Cb -0.23 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 1bw3 s VAL 116 CO -0.04 0.00 -0.20 0.20 -0.31 0.00 0.00 175.10 174.75 1bw3 s ASN 117 N -4.34 2.43 0.07 4.85 0.01 -0.90 -0.93 114.94 116.13 1bw3 s ASN 117 Ca 0.45 -0.50 -0.17 0.00 -0.71 0.00 0.00 52.86 51.93 1bw3 s ASN 117 Cb -0.04 -0.21 0.03 0.00 0.41 0.00 0.00 41.25 41.45 1bw3 s ASN 117 CO 0.28 0.17 0.40 -0.72 -1.51 0.00 0.00 177.10 175.71 1bw3 s TYR 118 N -0.76 -0.22 0.02 2.20 -0.85 -0.09 -0.64 117.35 117.01 1bw3 s TYR 118 Ca 0.07 0.07 0.01 0.00 -0.52 0.00 0.00 57.07 56.70 1bw3 s TYR 118 Cb -0.09 0.22 -0.01 0.00 0.38 0.00 0.00 41.96 42.46 1bw3 s TYR 118 CO 0.01 -0.61 -0.03 -0.65 -1.52 0.00 0.00 175.55 172.75 1bw3 s GLN 119 N -2.96 0.29 0.48 -3.49 -1.52 0.19 -1.50 119.66 111.15 1bw3 s GLN 119 Ca -0.02 -0.44 -0.23 0.00 -1.95 0.00 0.00 55.36 52.72 1bw3 s GLN 119 Cb 0.00 -0.05 -0.07 0.00 -0.22 0.00 0.00 33.01 32.67 1bw3 s GLN 119 CO -0.06 0.00 1.28 -0.06 -0.25 0.00 0.00 175.29 176.20 1bw3 s PHE 120 N -0.93 2.61 0.28 0.91 0.40 -1.02 -0.49 117.98 119.74 1bw3 s PHE 120 Ca -0.09 1.44 -0.12 0.00 -0.60 0.00 0.00 56.93 57.56 1bw3 s PHE 120 Cb -0.07 -3.62 0.00 0.00 0.51 0.00 0.00 43.02 39.85 1bw3 s PHE 120 CO -0.00 -2.22 0.52 0.08 0.70 0.00 0.00 175.22 174.29 1bw3 s VAL 121 N -1.38 0.00 0.57 -0.44 1.01 0.57 -4.71 120.40 116.01 1bw3 s VAL 121 Ca 0.65 -1.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1bw3 s VAL 121 Cb -0.36 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1bw3 s VAL 121 CO 0.43 0.00 0.83 -1.81 0.00 0.00 0.00 175.10 174.55 1bw3 s ASP 122 N -3.06 5.39 -0.20 3.32 1.11 -1.26 -1.30 116.67 120.68 1bw3 s ASP 122 Ca 0.23 0.32 -0.20 0.00 0.18 0.00 0.00 52.55 53.08 1bw3 s ASP 122 Cb -0.01 -1.28 -0.20 0.00 1.07 0.00 0.00 42.92 42.51 1bw3 s ASP 122 CO 0.11 -1.11 0.21 0.00 1.18 0.00 0.00 175.17 175.57 1bw3 n ARG 124 N -4.35 -1.53 0.00 0.00 0.63 -1.26 -5.08 116.66 105.06 1bw3 n ARG 124 Ca -0.33 0.97 0.15 0.00 -0.92 0.00 0.00 57.85 57.72 1bw3 n ARG 124 Cb 0.72 -4.86 0.73 0.00 0.45 0.00 0.00 32.46 29.50 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65