#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 2.16 0.01 3.49 -0.21 -1.26 -4.33 119.66 119.51 1bw3 s GLN 2 Ca 0.00 -0.92 0.08 0.00 0.02 0.00 0.00 55.36 54.54 1bw3 s GLN 2 Cb 0.00 -2.19 -0.03 0.00 1.00 0.00 0.00 33.01 31.79 1bw3 s GLN 2 CO 0.00 0.56 -0.23 0.00 -2.12 0.00 0.00 175.29 173.50 1bw3 s ALA 3 N -0.82 2.32 0.35 6.09 0.00 -0.66 -5.04 121.76 124.00 1bw3 s ALA 3 Ca 0.13 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1bw3 s ALA 3 Cb -0.10 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1bw3 s ALA 3 CO 0.03 0.54 0.12 0.54 0.00 0.00 0.00 175.76 176.99 1bw3 s ASN 4 N -0.98 2.25 -0.67 0.00 2.20 -1.26 -0.83 114.94 115.65 1bw3 s ASN 4 Ca 0.12 -1.55 -0.14 0.00 -0.94 0.00 0.00 52.86 50.35 1bw3 s ASN 4 Cb -0.10 0.30 0.02 0.00 -2.00 0.00 0.00 41.25 39.47 1bw3 s ASN 4 CO 0.01 -0.82 0.27 0.47 -2.94 0.00 0.00 177.10 174.09 1bw3 n ASP 5 N -0.99 -1.50 -4.17 3.54 8.00 -1.20 -4.92 116.55 115.32 1bw3 n ASP 5 Ca -0.03 -0.68 -0.34 0.00 0.71 0.00 0.00 54.79 54.45 1bw3 n ASP 5 Cb 0.65 -0.82 -0.14 0.00 -0.02 0.00 0.00 41.12 40.79 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 -4.11 2.81 -0.39 2.53 1.01 -0.86 -4.94 120.40 116.45 1bw3 s VAL 6 Ca 0.20 -1.23 -0.35 0.00 0.00 0.00 0.00 61.98 60.60 1bw3 s VAL 6 Cb -0.11 -2.52 -0.15 0.00 0.00 0.00 0.00 36.38 33.60 1bw3 s VAL 6 CO 0.51 0.07 1.57 -2.11 0.00 0.00 0.00 175.10 175.13 1bw3 n ARG 7 N 4.62 0.00 -3.57 2.72 1.85 -1.26 -4.00 116.66 117.02 1bw3 n ARG 7 Ca -0.15 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.29 1bw3 n ARG 7 Cb 0.45 -1.17 -0.09 0.00 -1.05 0.00 0.00 32.46 30.60 1bw3 n ARG 7 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1bw3 s ALA 8 N 4.10 3.35 0.01 2.89 0.00 0.06 -4.70 121.76 127.48 1bw3 s ALA 8 Ca 0.91 -2.34 0.07 0.00 0.00 0.00 0.00 51.96 50.60 1bw3 s ALA 8 Cb -1.17 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 19.16 1bw3 s ALA 8 CO 0.55 -1.78 -0.20 0.95 0.00 0.00 0.00 175.76 175.28 1bw3 s THR 9 N 1.41 2.60 0.48 0.00 -4.23 -1.26 -1.83 115.64 112.82 1bw3 s THR 9 Ca 0.04 -1.10 0.06 0.00 -1.18 0.00 0.00 61.69 59.51 1bw3 s THR 9 Cb -0.25 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.56 1bw3 s THR 9 CO 0.01 0.44 0.33 -0.72 -0.54 0.00 0.00 174.62 174.14 1bw3 s TYR 10 N -0.80 2.10 0.08 3.99 -0.85 -0.82 -4.27 117.35 116.77 1bw3 s TYR 10 Ca 0.13 -0.71 0.01 0.00 -0.52 0.00 0.00 57.07 55.98 1bw3 s TYR 10 Cb -0.10 -1.97 -0.00 0.00 0.38 0.00 0.00 41.96 40.27 1bw3 s TYR 10 CO 0.02 -0.21 0.08 1.58 -1.52 0.00 0.00 175.55 175.50 1bw3 n HIS 11 N -1.57 -0.31 -3.62 -3.49 -0.00 -1.26 -4.86 115.22 100.10 1bw3 n HIS 11 Ca -0.01 -0.64 -0.37 0.00 0.46 0.00 0.00 57.72 57.16 1bw3 n HIS 11 Cb 0.64 0.09 -0.07 0.00 -0.12 0.00 0.00 29.99 30.53 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 -2.87 3.80 -0.57 1.57 1.51 -1.26 -4.93 117.35 114.60 1bw3 s TYR 12 Ca 0.09 -2.90 0.01 0.00 -1.01 0.00 0.00 57.07 53.26 1bw3 s TYR 12 Cb 0.00 -3.29 0.44 0.00 -0.11 0.00 0.00 41.96 39.00 1bw3 s TYR 12 CO 0.06 -0.78 1.71 0.98 -1.11 0.00 0.00 175.55 176.41 1bw3 n TYR 13 N 2.67 3.08 -2.93 2.71 9.36 -1.26 -4.99 117.16 125.80 1bw3 n TYR 13 Ca 0.18 -2.71 -0.12 0.00 3.32 0.00 0.00 57.90 58.58 1bw3 n TYR 13 Cb 0.38 -0.98 -0.03 0.00 -0.63 0.00 0.00 39.34 38.08 1bw3 n TYR 13 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1bw3 n ARG 14 N -0.76 -0.95 0.00 2.98 1.74 -1.26 -4.85 116.66 113.56 1bw3 n ARG 14 Ca 0.54 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 1bw3 n ARG 14 Cb 0.68 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 1bw3 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1bw3 n PRO 15 N -2.06 0.00 0.30 5.56 -0.04 -1.26 -2.96 135.00 134.53 1bw3 n PRO 15 Ca -0.06 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.52 1bw3 n PRO 15 Cb 0.21 -0.02 0.64 0.00 -0.04 0.00 0.00 33.50 34.29 1bw3 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 h ALA 16 N -2.00 1.37 -0.94 0.55 0.00 -1.88 0.30 119.26 116.65 1bw3 h ALA 16 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1bw3 h ALA 16 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1bw3 h ALA 16 CO 0.00 -0.37 0.60 1.96 0.00 0.00 0.00 179.25 181.44 1bw3 h GLN 17 N 0.00 0.90 -0.98 0.00 7.50 -1.95 1.14 115.11 121.73 1bw3 h GLN 17 Ca 0.00 -0.05 -0.60 0.00 0.50 0.00 0.00 58.65 58.50 1bw3 h GLN 17 Cb 0.78 -0.20 -0.30 0.00 0.05 0.00 0.00 27.48 27.81 1bw3 h GLN 17 CO 0.00 0.60 0.73 -1.71 -1.50 0.00 0.00 178.83 176.95 1bw3 n ASN 18 N -4.56 5.82 -3.90 1.46 5.15 0.82 -4.79 115.26 115.27 1bw3 n ASN 18 Ca 0.17 -3.71 -0.30 0.00 -0.60 0.00 0.00 54.58 50.13 1bw3 n ASN 18 Cb 0.33 -0.90 -0.06 0.00 -0.53 0.00 0.00 39.78 38.62 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 -1.02 -1.55 -1.25 1.20 2.85 0.39 -0.86 115.26 115.02 1bw3 n ASN 19 Ca 0.61 -0.75 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 1bw3 n ASN 19 Cb 1.12 -1.39 0.00 0.00 1.24 0.00 0.00 39.78 40.75 1bw3 n ASN 19 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 1bw3 n TRP 20 N -3.52 -0.85 -1.51 1.20 2.14 0.05 -4.75 117.44 110.20 1bw3 n TRP 20 Ca 0.08 0.00 -0.37 0.00 2.07 0.00 0.00 57.50 59.28 1bw3 n TRP 20 Cb 0.45 -0.47 -0.14 0.00 -0.81 0.00 0.00 31.31 30.33 1bw3 n TRP 20 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 1bw3 n ASP 21 N -0.47 0.38 0.00 -0.67 -0.08 -0.04 -4.72 116.55 110.94 1bw3 n ASP 21 Ca 0.00 -0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1bw3 n ASP 21 Cb 0.19 -0.98 0.00 0.00 2.34 0.00 0.00 41.12 42.67 1bw3 n ASP 21 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1bw3 n LEU 22 N 10.81 0.00 -0.00 -2.67 4.77 -1.26 -0.16 117.00 128.49 1bw3 n LEU 22 Ca 0.62 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.70 1bw3 n LEU 22 Cb 0.12 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.09 1bw3 n LEU 22 CO 0.92 0.00 -0.18 0.61 -1.33 0.00 0.00 177.39 177.41 1bw3 n GLY 23 N -0.82 -0.98 3.75 -0.72 0.00 -1.26 -1.91 105.19 103.26 1bw3 n GLY 23 Ca 0.00 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1bw3 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 n ALA 24 N -1.63 2.20 -0.25 4.61 0.00 0.78 -4.70 120.51 121.51 1bw3 n ALA 24 Ca 0.02 0.36 0.23 0.00 0.00 0.00 0.00 53.44 54.05 1bw3 n ALA 24 Cb 0.37 -2.40 0.43 0.00 0.00 0.00 0.00 19.45 17.85 1bw3 n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bw3 n PRO 25 N 0.95 -0.05 -0.08 0.00 -0.01 -1.26 -0.51 135.00 134.04 1bw3 n PRO 25 Ca 0.04 1.09 0.10 0.00 -0.01 0.00 0.00 63.50 64.72 1bw3 n PRO 25 Cb 0.38 -1.93 0.38 0.00 -0.01 0.00 0.00 33.50 32.32 1bw3 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bw3 n ALA 26 N -2.54 2.52 0.01 3.55 0.00 -1.26 -4.62 120.51 118.16 1bw3 n ALA 26 Ca 0.28 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 53.20 1bw3 n ALA 26 Cb 0.95 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 19.30 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 0.27 0.91 -3.31 0.00 0.31 0.33 -5.07 118.33 111.77 1bw3 n VAL 27 Ca 0.16 0.27 -0.31 0.00 -0.01 0.00 0.00 64.34 64.45 1bw3 n VAL 27 Cb 0.31 -1.59 0.02 0.00 -0.91 0.00 0.00 33.84 31.68 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 -3.37 -4.56 -4.84 4.52 3.41 -0.81 -4.97 113.62 102.99 1bw3 n SER 28 Ca -0.03 -0.35 -0.35 0.00 -0.26 0.00 0.00 58.87 57.89 1bw3 n SER 28 Cb 0.10 -1.38 -0.06 0.00 -0.26 0.00 0.00 64.21 62.61 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 -1.70 3.57 0.00 7.33 0.00 -0.80 -5.00 121.76 125.16 1bw3 s ALA 29 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1bw3 s ALA 29 Cb -0.02 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1bw3 s ALA 29 CO 0.77 0.45 0.00 0.98 0.00 0.00 0.00 175.76 177.96 1bw3 n TYR 30 N 0.79 0.00 -0.90 0.00 4.19 -1.26 -0.42 117.16 119.56 1bw3 n TYR 30 Ca -0.05 0.00 0.08 0.00 3.31 0.00 0.00 57.90 61.24 1bw3 n TYR 30 Cb 0.52 -0.38 0.29 0.00 0.49 0.00 0.00 39.34 40.26 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 2.40 2.92 0.00 0.00 0.00 -1.05 0.51 119.26 124.03 1bw3 h ALA 32 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bw3 h ALA 32 Cb 1.51 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1bw3 h ALA 32 CO 0.27 -1.23 0.00 2.41 0.00 0.00 0.00 179.25 180.69 1bw3 n THR 33 N -4.26 0.65 0.00 0.00 -1.04 -1.26 -3.37 114.28 105.00 1bw3 n THR 33 Ca 0.23 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1bw3 n THR 33 Cb 1.10 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 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 -2.29 0.00 -0.06 -1.42 8.01 0.74 -4.88 117.44 117.53 1bw3 n TRP 34 Ca 0.05 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.13 1bw3 n TRP 34 Cb 0.40 0.01 -0.10 0.00 -2.01 0.00 0.00 31.31 29.61 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 -0.55 -0.99 5.19 -0.36 -3.35 116.42 116.35 1bw3 h ASP 35 Ca 0.00 -0.79 0.14 0.00 -0.62 0.00 0.00 57.03 55.76 1bw3 h ASP 35 Cb 0.96 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.37 1bw3 h ASP 35 CO 0.00 0.89 -0.03 0.00 -3.12 0.00 0.00 179.24 176.98 1bw3 n ALA 36 N -2.64 0.24 -0.33 3.45 0.00 -1.22 0.51 120.51 120.52 1bw3 n ALA 36 Ca -0.08 0.60 0.22 0.00 0.00 0.00 0.00 53.44 54.18 1bw3 n ALA 36 Cb 0.38 -0.41 0.42 0.00 0.00 0.00 0.00 19.45 19.83 1bw3 n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bw3 n SER 37 N -4.74 0.08 -4.67 0.00 3.41 -1.26 -4.63 113.62 101.82 1bw3 n SER 37 Ca 0.12 1.67 -0.44 0.00 -0.26 0.00 0.00 58.87 59.96 1bw3 n SER 37 Cb 0.39 -0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 63.62 1bw3 n SER 37 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bw3 n LYS 38 N -5.39 1.98 -1.47 4.33 4.01 0.18 -4.77 118.16 117.04 1bw3 n LYS 38 Ca 0.29 0.70 -0.49 0.00 -0.51 0.00 0.00 58.31 58.31 1bw3 n LYS 38 Cb 0.98 -2.29 -0.03 0.00 -0.51 0.00 0.00 35.03 33.18 1bw3 n LYS 38 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1bw3 n PRO 39 N 1.28 0.38 -0.27 1.97 -0.04 -1.26 -4.64 135.00 132.42 1bw3 n PRO 39 Ca 0.09 0.13 0.14 0.00 -0.04 0.00 0.00 63.50 63.82 1bw3 n PRO 39 Cb 0.33 -1.31 0.42 0.00 -0.04 0.00 0.00 33.50 32.90 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 1.67 0.58 -0.18 1.53 -0.00 -1.87 -2.15 115.31 114.89 1bw3 h LEU 40 Ca -0.34 0.05 0.05 0.00 -0.00 0.00 0.00 57.88 57.63 1bw3 h LEU 40 Cb 1.41 -0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 41.93 1bw3 h LEU 40 CO 0.60 0.27 -0.40 0.28 -0.00 0.00 0.00 178.44 179.19 1bw3 h SER 41 N 0.60 -1.27 -0.14 -0.43 0.02 -2.00 -0.75 113.55 109.59 1bw3 h SER 41 Ca 0.47 0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.64 1bw3 h SER 41 Cb 0.88 0.53 -0.05 0.00 0.14 0.00 0.00 62.40 63.89 1bw3 h SER 41 CO -0.21 -0.40 -0.20 -0.25 -1.14 0.00 0.00 176.83 174.63 1bw3 h TRP 42 N -0.44 -0.52 -0.92 3.45 7.01 -1.73 0.17 115.95 122.97 1bw3 h TRP 42 Ca 0.09 0.03 0.15 0.00 2.11 0.00 0.00 58.89 61.27 1bw3 h TRP 42 Cb 0.60 0.25 -0.16 0.00 -2.10 0.00 0.00 29.16 27.76 1bw3 h TRP 42 CO -0.49 -0.28 -0.36 -0.09 -2.79 0.00 0.00 178.44 174.43 1bw3 h ARG 43 N -0.25 -0.03 0.08 2.65 9.65 -0.84 -0.59 114.38 125.06 1bw3 h ARG 43 Ca 0.10 0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.73 1bw3 h ARG 43 Cb 0.40 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1bw3 h ARG 43 CO -0.28 -0.02 -1.11 0.66 2.80 0.00 0.00 179.97 182.01 1bw3 h SER 44 N -0.03 0.44 -0.35 -3.80 4.64 -0.83 -3.32 113.55 110.30 1bw3 h SER 44 Ca 0.34 -0.42 0.08 0.00 -0.47 0.00 0.00 61.79 61.32 1bw3 h SER 44 Cb 0.60 -0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.47 1bw3 h SER 44 CO -0.94 1.28 -0.21 0.50 -0.87 0.00 0.00 176.83 176.59 1bw3 h LYS 45 N 0.12 -0.16 0.00 4.77 3.64 0.51 -3.42 116.57 122.04 1bw3 h LYS 45 Ca -0.11 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1bw3 h LYS 45 Cb 1.80 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 1bw3 h LYS 45 CO 0.18 -0.10 -0.00 0.66 -2.27 0.00 0.00 179.45 177.92 1bw3 n TYR 46 N -5.37 -2.98 0.00 1.91 4.01 -0.34 -5.08 117.16 109.30 1bw3 n TYR 46 Ca 0.01 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1bw3 n TYR 46 Cb 0.29 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1bw3 n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bw3 n GLY 47 N 4.20 0.49 0.00 2.72 0.00 -1.26 -4.87 105.19 106.47 1bw3 n GLY 47 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1bw3 n GLY 47 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1bw3 n TRP 48 N 0.00 0.00 -1.94 1.61 4.27 -1.23 -4.74 117.44 115.40 1bw3 n TRP 48 Ca 0.00 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.31 1bw3 n TRP 48 Cb 0.00 0.00 0.17 0.00 -1.36 0.00 0.00 31.31 30.12 1bw3 n TRP 48 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1bw3 s THR 49 N 0.00 2.00 0.09 -1.67 -4.23 0.68 -4.64 115.64 107.88 1bw3 s THR 49 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1bw3 s THR 49 Cb 0.00 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1bw3 s THR 49 CO 0.00 0.00 0.03 0.00 -0.54 0.00 0.00 174.62 174.11 1bw3 n ALA 50 N -3.68 0.11 -3.53 3.99 0.00 -1.26 -0.20 120.51 115.94 1bw3 n ALA 50 Ca 0.14 -0.38 -0.22 0.00 0.00 0.00 0.00 53.44 52.98 1bw3 n ALA 50 Cb 0.60 0.19 -0.14 0.00 0.00 0.00 0.00 19.45 20.09 1bw3 n ALA 50 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1bw3 s PHE 51 N -0.92 -0.08 0.00 0.00 -0.71 0.15 -4.78 117.98 111.63 1bw3 s PHE 51 Ca 0.02 -0.08 0.00 0.00 -1.04 0.00 0.00 56.93 55.84 1bw3 s PHE 51 Cb -0.00 -0.52 0.00 0.00 -1.21 0.00 0.00 43.02 41.28 1bw3 s PHE 51 CO 0.02 -0.61 0.00 0.00 -1.34 0.00 0.00 175.22 173.28 1bw3 n GLY 53 N 1.29 4.72 3.57 0.00 0.00 -1.26 -5.05 105.19 108.46 1bw3 n GLY 53 Ca 0.00 -2.55 -0.22 0.00 0.00 0.00 0.00 46.02 43.25 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 0.56 0.89 -1.26 1.61 -0.05 -1.26 -4.78 135.00 130.71 1bw3 n PRO 54 Ca 0.29 -2.10 -0.35 0.00 -0.05 0.00 0.00 63.50 61.29 1bw3 n PRO 54 Cb 0.44 -3.81 -0.05 0.00 -0.05 0.00 0.00 33.50 30.02 1bw3 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1bw3 n ALA 55 N 16.90 7.38 0.00 0.55 0.00 -1.26 -4.76 120.51 139.32 1bw3 n ALA 55 Ca 0.43 -3.26 0.00 0.00 0.00 0.00 0.00 53.44 50.62 1bw3 n ALA 55 Cb 0.47 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.70 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 3.41 1.96 3.55 0.00 0.00 -1.26 0.16 105.19 113.01 1bw3 n GLY 56 Ca 0.73 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.48 2.81 0.12 1.61 0.04 -1.26 -4.87 135.00 131.97 1bw3 s PRO 57 Ca 0.00 0.34 -0.16 0.00 0.04 0.00 0.00 61.00 61.21 1bw3 s PRO 57 Cb 0.00 -4.32 0.04 0.00 0.04 0.00 0.00 34.50 30.26 1bw3 s PRO 57 CO 0.00 -2.54 0.40 0.50 0.04 0.00 0.00 177.00 175.41 1bw3 s ARG 58 N 6.61 1.05 0.00 4.56 3.52 -1.26 -4.94 118.95 128.49 1bw3 s ARG 58 Ca 0.57 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 1bw3 s ARG 58 Cb -0.11 0.46 0.00 0.00 -1.56 0.00 0.00 34.95 33.74 1bw3 s ARG 58 CO 0.19 -0.41 0.00 0.41 -0.81 0.00 0.00 175.30 174.68 1bw3 n GLY 59 N -0.14 -0.90 0.04 8.12 0.00 -1.26 -4.97 105.19 106.08 1bw3 n GLY 59 Ca -0.16 0.34 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -1.83 1.61 4.20 -2.00 -3.38 115.11 113.70 1bw3 h GLN 60 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bw3 h GLN 60 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1bw3 h GLN 60 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1bw3 n ALA 61 N -3.07 3.23 -0.07 3.87 0.00 -1.26 -2.13 120.51 121.08 1bw3 n ALA 61 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 1bw3 n ALA 61 Cb 0.16 -1.16 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 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 1.39 1.67 -1.53 0.00 0.00 -1.26 -4.81 120.51 115.97 1bw3 n ALA 62 Ca 0.00 -0.76 -0.24 0.00 0.00 0.00 0.00 53.44 52.43 1bw3 n ALA 62 Cb 0.40 0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 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 6.27 1.31 3.95 0.00 0.00 -1.16 -5.07 105.19 110.50 1bw3 n GLY 64 Ca 0.52 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.30 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 2.12 0.27 1.61 3.01 0.70 -4.74 119.74 122.71 1bw3 s LYS 65 Ca 0.00 -0.55 0.06 0.00 -1.01 0.00 0.00 55.97 54.47 1bw3 s LYS 65 Cb 0.00 -2.27 -0.06 0.00 -1.01 0.00 0.00 37.83 34.50 1bw3 s LYS 65 CO 0.00 -1.19 -0.04 0.00 0.51 0.00 0.00 175.35 174.63 1bw3 s LEU 67 N -3.42 2.44 -0.16 0.00 1.43 0.11 -0.41 118.68 118.67 1bw3 s LEU 67 Ca 0.30 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.72 1bw3 s LEU 67 Cb 0.04 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 1bw3 s LEU 67 CO 0.12 0.10 0.61 -0.60 0.23 0.00 0.00 176.35 176.81 1bw3 s ARG 68 N 0.72 4.28 -0.12 1.70 3.52 0.34 -0.01 118.95 129.37 1bw3 s ARG 68 Ca -0.07 0.63 -0.00 0.00 -0.13 0.00 0.00 55.73 56.15 1bw3 s ARG 68 Cb -0.16 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.69 1bw3 s ARG 68 CO 0.01 -0.11 -0.12 0.08 -0.81 0.00 0.00 175.30 174.35 1bw3 s VAL 69 N 1.46 3.12 -0.02 7.11 1.01 0.06 -0.46 120.40 132.69 1bw3 s VAL 69 Ca 0.30 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.69 1bw3 s VAL 69 Cb -0.16 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1bw3 s VAL 69 CO 0.12 0.53 -0.19 -0.89 0.00 0.00 0.00 175.10 174.66 1bw3 s THR 70 N 0.24 1.56 -0.90 3.92 2.01 0.29 -0.91 115.64 121.84 1bw3 s THR 70 Ca -0.08 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 1bw3 s THR 70 Cb -0.15 -1.30 0.23 0.00 0.01 0.00 0.00 72.50 71.29 1bw3 s THR 70 CO 0.05 0.44 0.84 -3.20 -0.69 0.00 0.00 174.62 172.06 1bw3 n ASN 71 N 2.71 4.36 0.00 3.53 2.85 0.39 0.21 115.26 129.30 1bw3 n ASN 71 Ca -0.16 -3.17 0.00 0.00 -0.11 0.00 0.00 54.58 51.15 1bw3 n ASN 71 Cb 0.53 -1.05 0.00 0.00 1.24 0.00 0.00 39.78 40.50 1bw3 n ASN 71 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1bw3 n PRO 72 N 2.15 0.00 -0.01 1.20 -0.02 -1.26 -0.36 135.00 136.70 1bw3 n PRO 72 Ca 0.23 0.19 -0.22 0.00 -2.02 0.00 0.00 63.50 61.68 1bw3 n PRO 72 Cb 0.37 -1.59 -0.13 0.00 -0.02 0.00 0.00 33.50 32.13 1bw3 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw3 n ALA 73 N -1.12 0.85 -0.07 3.55 0.00 -1.26 -4.41 120.51 118.05 1bw3 n ALA 73 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 53.44 52.77 1bw3 n ALA 73 Cb 0.09 -0.67 -0.15 0.00 0.00 0.00 0.00 19.45 18.72 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 -3.68 1.49 -0.23 0.00 -2.24 -0.24 -4.98 114.28 104.40 1bw3 n THR 74 Ca -0.32 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 1bw3 n THR 74 Cb 0.97 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 1.78 0.63 3.83 3.38 0.00 0.51 -5.06 105.19 110.26 1bw3 n GLY 75 Ca -0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.44 2.88 -0.07 4.61 0.00 -1.25 -4.79 121.76 120.70 1bw3 s ALA 76 Ca 0.00 0.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.93 1bw3 s ALA 76 Cb 0.00 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 20.01 1bw3 s ALA 76 CO 0.00 -0.71 0.54 1.14 0.00 0.00 0.00 175.76 176.73 1bw3 s GLN 77 N -4.42 0.86 0.23 0.00 -2.07 -1.26 -0.46 119.66 112.53 1bw3 s GLN 77 Ca 0.60 0.21 0.01 0.00 -1.82 0.00 0.00 55.36 54.35 1bw3 s GLN 77 Cb -0.13 0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 32.15 1bw3 s GLN 77 CO 0.41 -0.24 0.14 -1.50 -1.32 0.00 0.00 175.29 172.79 1bw3 s ILE 78 N -0.96 0.12 -0.18 3.63 1.10 -0.08 -4.92 121.20 119.91 1bw3 s ILE 78 Ca -0.10 -2.00 -0.00 0.00 -0.51 0.00 0.00 60.65 58.04 1bw3 s ILE 78 Cb -0.02 -2.52 0.01 0.00 0.15 0.00 0.00 42.46 40.07 1bw3 s ILE 78 CO 0.06 0.00 -0.15 -0.89 -2.11 0.00 0.00 174.94 171.86 1bw3 s THR 79 N -3.96 2.57 0.08 4.00 2.01 -1.26 -0.76 115.64 118.33 1bw3 s THR 79 Ca 0.39 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.64 1bw3 s THR 79 Cb 0.06 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1bw3 s THR 79 CO 0.15 0.50 0.06 0.00 -0.69 0.00 0.00 174.62 174.64 1bw3 s ALA 80 N 1.16 3.52 -0.33 7.40 0.00 0.99 -4.65 121.76 129.84 1bw3 s ALA 80 Ca 0.01 -1.03 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 1bw3 s ALA 80 Cb -0.14 -1.39 -0.00 0.00 0.00 0.00 0.00 23.12 21.58 1bw3 s ALA 80 CO -0.06 0.74 0.66 1.03 0.00 0.00 0.00 175.76 178.13 1bw3 s ARG 81 N -2.36 3.80 -0.15 0.00 0.52 -1.26 0.04 118.95 119.54 1bw3 s ARG 81 Ca 0.29 0.23 -0.29 0.00 -0.52 0.00 0.00 55.73 55.43 1bw3 s ARG 81 Cb -0.12 -3.77 -0.01 0.00 0.52 0.00 0.00 34.95 31.57 1bw3 s ARG 81 CO 0.21 -0.67 1.11 0.42 0.02 0.00 0.00 175.30 176.39 1bw3 s ILE 82 N 2.73 4.53 0.00 1.52 1.01 0.84 0.25 121.20 132.07 1bw3 s ILE 82 Ca 0.26 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.75 1bw3 s ILE 82 Cb -0.14 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1bw3 s ILE 82 CO 0.14 -0.09 0.00 0.55 0.00 0.00 0.00 174.94 175.53 1bw3 n VAL 83 N 5.01 0.00 -2.93 2.92 3.14 0.72 -2.99 118.33 124.20 1bw3 n VAL 83 Ca 0.11 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.39 1bw3 n VAL 83 Cb 0.46 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.28 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 -1.25 1.02 -3.94 6.55 2.03 -0.39 -4.19 116.55 116.37 1bw3 n ASP 84 Ca 0.00 -1.76 -0.25 0.00 0.52 0.00 0.00 54.79 53.30 1bw3 n ASP 84 Cb 0.00 -0.23 -0.17 0.00 -0.72 0.00 0.00 41.12 40.00 1bw3 n ASP 84 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1bw3 s GLN 85 N -3.41 1.48 -0.16 -0.67 0.74 -1.26 0.29 119.66 116.67 1bw3 s GLN 85 Ca 0.32 -0.29 0.02 0.00 0.05 0.00 0.00 55.36 55.46 1bw3 s GLN 85 Cb -0.02 -1.41 0.27 0.00 1.10 0.00 0.00 33.01 32.95 1bw3 s GLN 85 CO 0.20 -0.13 1.31 0.00 -0.55 0.00 0.00 175.29 176.11 1bw3 n ALA 87 N -0.09 0.55 -1.86 0.00 0.00 -1.26 -1.02 120.51 116.83 1bw3 n ALA 87 Ca 0.22 0.79 -0.10 0.00 0.00 0.00 0.00 53.44 54.35 1bw3 n ALA 87 Cb 0.91 -0.66 0.10 0.00 0.00 0.00 0.00 19.45 19.80 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 -4.90 3.39 0.00 0.00 0.23 -1.26 -5.01 115.26 107.72 1bw3 n ASN 88 Ca 0.22 -3.75 0.00 0.00 -0.53 0.00 0.00 54.58 50.52 1bw3 n ASN 88 Cb 0.75 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 1bw3 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw3 n GLY 89 N -0.86 1.60 0.00 4.83 0.00 -0.19 -5.19 105.19 105.38 1bw3 n GLY 89 Ca 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1bw3 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw3 n GLY 90 N 1.15 4.30 0.26 -0.02 0.00 -1.26 -5.01 105.19 104.61 1bw3 n GLY 90 Ca 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.69 0.00 0.99 6.46 -1.84 -3.45 115.31 116.78 1bw3 h LEU 91 Ca 0.00 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1bw3 h LEU 91 Cb 0.00 0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1bw3 h LEU 91 CO 0.00 -0.37 0.00 -0.90 -0.62 0.00 0.00 178.44 176.55 1bw3 n ASP 92 N -3.93 0.00 -3.51 1.25 5.68 -1.26 -4.56 116.55 110.22 1bw3 n ASP 92 Ca -0.07 -0.16 -0.40 0.00 -0.50 0.00 0.00 54.79 53.66 1bw3 n ASP 92 Cb 0.25 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.22 1bw3 n ASP 92 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1bw3 n LEU 93 N 0.00 7.97 -4.54 -2.12 4.32 -1.26 -4.88 117.00 116.49 1bw3 n LEU 93 Ca 0.00 -4.61 -0.29 0.00 -0.02 0.00 0.00 56.01 51.09 1bw3 n LEU 93 Cb 0.00 -1.47 0.23 0.00 -1.62 0.00 0.00 43.42 40.56 1bw3 n LEU 93 CO 0.00 1.87 0.56 -0.62 -1.22 0.00 0.00 177.39 177.98 1bw3 s ASP 94 N 1.31 1.25 0.00 -1.43 2.15 -1.26 -3.81 116.67 114.88 1bw3 s ASP 94 Ca 0.56 1.22 0.00 0.00 0.43 0.00 0.00 52.55 54.77 1bw3 s ASP 94 Cb 0.17 -1.89 0.00 0.00 -0.30 0.00 0.00 42.92 40.90 1bw3 s ASP 94 CO -0.07 -3.99 0.00 1.87 -0.17 0.00 0.00 175.17 172.81 1bw3 n TRP 95 N -4.75 0.00 0.00 -5.34 -0.00 -1.26 -4.54 117.44 101.56 1bw3 n TRP 95 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.55 1bw3 n TRP 95 Cb 0.56 0.00 -0.11 0.00 -0.00 0.00 0.00 31.31 31.77 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 3.40 0.59 -0.04 5.87 2.03 -1.26 -2.90 116.55 124.24 1bw3 n ASP 96 Ca 0.00 0.26 -0.03 0.00 0.52 0.00 0.00 54.79 55.54 1bw3 n ASP 96 Cb 0.00 0.57 -0.01 0.00 -0.72 0.00 0.00 41.12 40.96 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 -2.77 0.86 0.00 5.18 -2.24 -1.25 -4.76 114.28 109.30 1bw3 n THR 97 Ca -0.13 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1bw3 n THR 97 Cb 0.85 -2.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 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 -3.69 0.00 0.00 2.28 0.31 -1.26 -4.52 118.33 111.45 1bw3 n VAL 98 Ca -0.04 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1bw3 n VAL 98 Cb 0.16 -0.78 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 -1.35 0.00 0.05 3.52 7.35 -1.26 -0.56 117.46 125.21 1bw3 n PHE 99 Ca 0.00 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.72 1bw3 n PHE 99 Cb 0.00 -0.04 0.20 0.00 0.35 0.00 0.00 39.48 39.99 1bw3 n PHE 99 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1bw3 n THR 100 N -1.55 1.40 0.16 -2.13 5.66 -1.14 -3.54 114.28 113.13 1bw3 n THR 100 Ca 0.00 -0.70 0.06 0.00 -3.05 0.00 0.00 64.05 60.35 1bw3 n THR 100 Cb 0.00 -0.40 -0.09 0.00 -1.55 0.00 0.00 70.33 68.29 1bw3 n THR 100 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1bw3 n LYS 101 N 0.30 1.16 -0.03 1.09 4.76 0.27 -4.74 118.16 120.98 1bw3 n LYS 101 Ca 0.14 -0.08 -0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1bw3 n LYS 101 Cb 0.73 -1.22 -0.00 0.00 -1.84 0.00 0.00 35.03 32.70 1bw3 n LYS 101 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1bw3 h ILE 102 N 0.00 0.00 0.00 -0.18 3.07 -1.51 -3.46 117.51 115.42 1bw3 h ILE 102 Ca 0.00 -0.52 0.00 0.00 1.55 0.00 0.00 64.86 65.89 1bw3 h ILE 102 Cb 0.47 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.02 1bw3 h ILE 102 CO 0.00 0.00 0.00 -0.67 -1.05 0.00 0.00 178.15 176.43 1bw3 n ASP 103 N -3.45 0.00 -2.95 2.16 2.03 -1.26 -4.51 116.55 108.56 1bw3 n ASP 103 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1bw3 n ASP 103 Cb 0.02 0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1bw3 n ASP 103 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1bw3 n THR 104 N -1.35 0.00 0.35 5.18 -2.24 -1.26 -5.01 114.28 109.94 1bw3 n THR 104 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1bw3 n THR 104 Cb 0.00 -0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 67.66 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 0.00 0.69 -2.47 3.42 6.94 -1.26 -4.78 115.26 117.81 1bw3 n ASN 105 Ca 0.00 -0.85 -0.02 0.00 -0.02 0.00 0.00 54.58 53.69 1bw3 n ASN 105 Cb 0.00 0.74 0.01 0.00 -2.36 0.00 0.00 39.78 38.17 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw3 n GLY 106 N 0.99 -0.73 0.00 4.83 0.00 -1.26 -4.64 105.19 104.38 1bw3 n GLY 106 Ca 0.02 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1bw3 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw3 n ILE 107 N -1.73 0.00 0.00 -0.61 -0.00 -1.26 -0.87 119.36 114.88 1bw3 n ILE 107 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 1bw3 n ILE 107 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.16 1bw3 n ILE 107 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1bw3 n GLY 108 N -0.73 -0.03 0.29 7.39 0.00 -1.25 -3.48 105.19 107.37 1bw3 n GLY 108 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1bw3 n GLY 108 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1bw3 h TYR 109 N 0.00 0.28 -0.68 1.61 3.20 -1.22 0.12 116.97 120.28 1bw3 h TYR 109 Ca 0.00 0.05 0.16 0.00 3.14 0.00 0.00 58.73 62.08 1bw3 h TYR 109 Cb 0.04 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 38.18 1bw3 h TYR 109 CO 0.00 -0.15 -0.09 1.04 -1.64 0.00 0.00 178.16 177.32 1bw3 n GLN 110 N -5.20 -0.06 -0.09 1.82 6.02 -1.23 -1.16 117.38 117.49 1bw3 n GLN 110 Ca 0.17 1.04 -0.12 0.00 -0.01 0.00 0.00 57.00 58.09 1bw3 n GLN 110 Cb 0.56 -1.60 -0.11 0.00 1.02 0.00 0.00 30.24 30.12 1bw3 n GLN 110 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1bw3 n GLN 111 N -5.02 0.86 0.00 -1.09 1.13 -1.07 -5.05 117.38 107.14 1bw3 n GLN 111 Ca 0.13 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.26 1bw3 n GLN 111 Cb 0.42 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.37 1bw3 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bw3 n GLY 112 N 2.34 1.46 2.95 1.08 0.00 0.33 -4.92 105.19 108.43 1bw3 n GLY 112 Ca -0.32 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 1bw3 n GLY 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bw3 s HIS 113 N -2.00 0.73 0.14 1.61 5.65 -0.69 -1.95 115.29 118.77 1bw3 s HIS 113 Ca 0.00 -0.17 -0.03 0.00 0.25 0.00 0.00 55.06 55.11 1bw3 s HIS 113 Cb 0.00 -0.56 -0.03 0.00 -1.18 0.00 0.00 32.58 30.81 1bw3 s HIS 113 CO 0.00 -0.10 0.10 -1.17 -0.65 0.00 0.00 174.74 172.92 1bw3 s LEU 114 N 0.37 1.63 -0.23 8.88 2.96 -0.76 -3.95 118.68 127.57 1bw3 s LEU 114 Ca -0.05 -1.13 -0.05 0.00 -0.22 0.00 0.00 54.13 52.68 1bw3 s LEU 114 Cb -0.09 0.47 -0.01 0.00 0.50 0.00 0.00 46.19 47.07 1bw3 s LEU 114 CO 0.00 -0.76 -0.01 0.21 -1.32 0.00 0.00 176.35 174.47 1bw3 s ASN 115 N -3.03 4.53 0.32 3.68 3.84 -1.26 -0.76 114.94 122.26 1bw3 s ASN 115 Ca 0.22 -0.40 0.03 0.00 0.21 0.00 0.00 52.86 52.92 1bw3 s ASN 115 Cb 0.07 -1.78 -0.04 0.00 -0.55 0.00 0.00 41.25 38.94 1bw3 s ASN 115 CO 0.01 -0.04 0.14 0.68 -2.79 0.00 0.00 177.10 175.10 1bw3 s VAL 116 N 1.50 0.50 0.17 -5.21 -7.23 -1.26 -4.60 120.40 104.28 1bw3 s VAL 116 Ca 0.05 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.29 1bw3 s VAL 116 Cb -0.15 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1bw3 s VAL 116 CO -0.01 0.00 -0.14 0.20 -0.31 0.00 0.00 175.10 174.83 1bw3 s ASN 117 N -3.42 2.32 -0.12 4.85 0.01 0.13 -2.03 114.94 116.68 1bw3 s ASN 117 Ca 0.34 -0.95 -0.10 0.00 -0.71 0.00 0.00 52.86 51.44 1bw3 s ASN 117 Cb 0.05 -0.10 0.03 0.00 0.41 0.00 0.00 41.25 41.65 1bw3 s ASN 117 CO 0.16 -0.17 0.31 -0.72 -1.51 0.00 0.00 177.10 175.17 1bw3 s TYR 118 N -2.71 -0.36 -0.07 2.20 -0.85 -0.01 -0.55 117.35 115.01 1bw3 s TYR 118 Ca 0.17 0.86 0.02 0.00 -0.52 0.00 0.00 57.07 57.60 1bw3 s TYR 118 Cb -0.02 0.12 0.01 0.00 0.38 0.00 0.00 41.96 42.46 1bw3 s TYR 118 CO 0.05 -0.18 -0.12 -0.65 -1.52 0.00 0.00 175.55 173.12 1bw3 s GLN 119 N 0.34 1.76 0.17 -3.49 -1.52 0.40 -1.65 119.66 115.66 1bw3 s GLN 119 Ca -0.01 -0.42 -0.33 0.00 -1.95 0.00 0.00 55.36 52.65 1bw3 s GLN 119 Cb -0.03 -1.48 -0.16 0.00 -0.22 0.00 0.00 33.01 31.12 1bw3 s GLN 119 CO -0.01 0.00 1.14 1.19 -0.25 0.00 0.00 175.29 177.36 1bw3 n PHE 120 N 3.92 1.24 -4.00 0.91 3.01 -1.26 -0.50 117.46 120.78 1bw3 n PHE 120 Ca -0.22 0.70 -0.11 0.00 1.01 0.00 0.00 57.45 58.83 1bw3 n PHE 120 Cb 0.52 -2.27 -0.03 0.00 -0.01 0.00 0.00 39.48 37.69 1bw3 n PHE 120 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1bw3 s VAL 121 N -0.24 0.00 0.47 -4.37 0.11 0.45 -4.74 120.40 112.08 1bw3 s VAL 121 Ca 0.73 -1.40 -0.03 0.00 -2.93 0.00 0.00 61.98 58.35 1bw3 s VAL 121 Cb -0.86 -2.48 -0.02 0.00 -1.53 0.00 0.00 36.38 31.49 1bw3 s VAL 121 CO 0.53 0.00 0.73 -0.62 -3.33 0.00 0.00 175.10 172.40 1bw3 s ASP 122 N -3.11 6.03 -0.21 3.54 2.15 -1.26 -1.53 116.67 122.28 1bw3 s ASP 122 Ca 0.24 0.61 -0.21 0.00 0.43 0.00 0.00 52.55 53.62 1bw3 s ASP 122 Cb -0.01 -1.91 -0.19 0.00 -0.30 0.00 0.00 42.92 40.51 1bw3 s ASP 122 CO 0.14 -0.64 0.22 0.00 -0.17 0.00 0.00 175.17 174.71 1bw3 n ARG 124 N -4.41 -0.67 0.00 0.00 0.63 -1.26 -5.09 116.66 105.86 1bw3 n ARG 124 Ca -0.32 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1bw3 n ARG 124 Cb 0.69 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.99 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65