#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw4 s GLN 2 N 0.00 2.35 -0.07 3.44 0.74 -1.26 -0.23 119.66 124.63 1bw4 s GLN 2 Ca 0.00 -0.58 -0.01 0.00 0.05 0.00 0.00 55.36 54.81 1bw4 s GLN 2 Cb 0.00 -2.12 0.03 0.00 1.10 0.00 0.00 33.01 32.02 1bw4 s GLN 2 CO 0.00 -0.21 0.01 0.00 -0.55 0.00 0.00 175.29 174.54 1bw4 s ALA 3 N 1.41 0.62 0.34 1.58 0.00 -0.05 -4.96 121.76 120.69 1bw4 s ALA 3 Ca 0.03 -0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.01 1bw4 s ALA 3 Cb -0.13 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 1bw4 s ALA 3 CO -0.10 -0.47 -0.00 -0.80 0.00 0.00 0.00 175.76 174.39 1bw4 s ASN 4 N 2.00 4.14 -1.50 0.00 -0.87 -1.26 -0.62 114.94 116.83 1bw4 s ASN 4 Ca 0.05 -1.01 -0.10 0.00 -1.57 0.00 0.00 52.86 50.23 1bw4 s ASN 4 Cb -0.12 -0.52 0.07 0.00 -0.02 0.00 0.00 41.25 40.66 1bw4 s ASN 4 CO -0.05 -0.23 0.86 0.47 -2.57 0.00 0.00 177.10 175.58 1bw4 n ASP 5 N -0.93 -3.52 -4.77 -1.22 8.00 -1.23 -4.96 116.55 107.91 1bw4 n ASP 5 Ca -0.04 -0.83 -0.29 0.00 0.71 0.00 0.00 54.79 54.33 1bw4 n ASP 5 Cb 0.62 -3.72 -0.06 0.00 -0.02 0.00 0.00 41.12 37.94 1bw4 n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bw4 s VAL 6 N -3.43 4.46 -0.92 2.53 1.01 -0.76 -4.96 120.40 118.34 1bw4 s VAL 6 Ca 0.48 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 1bw4 s VAL 6 Cb -0.25 -3.19 0.13 0.00 0.00 0.00 0.00 36.38 33.08 1bw4 s VAL 6 CO 0.84 0.06 1.11 -0.60 0.00 0.00 0.00 175.10 176.51 1bw4 s ARG 7 N -2.59 3.58 -0.23 2.72 3.52 -1.26 -1.97 118.95 122.72 1bw4 s ARG 7 Ca 0.29 -1.74 -0.28 0.00 -0.13 0.00 0.00 55.73 53.88 1bw4 s ARG 7 Cb -0.11 -4.89 0.01 0.00 -1.56 0.00 0.00 34.95 28.39 1bw4 s ARG 7 CO 0.22 -1.77 0.99 0.00 -0.81 0.00 0.00 175.30 173.93 1bw4 s ALA 8 N 2.70 3.67 0.53 6.12 0.00 -0.79 -4.88 121.76 129.11 1bw4 s ALA 8 Ca 0.32 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.45 1bw4 s ALA 8 Cb -0.05 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.64 1bw4 s ALA 8 CO -0.09 -1.01 0.49 0.25 0.00 0.00 0.00 175.76 175.41 1bw4 n THR 9 N 5.28 0.00 -3.65 0.00 -2.24 -1.26 -0.68 114.28 111.73 1bw4 n THR 9 Ca 0.10 -2.02 -0.29 0.00 -2.27 0.00 0.00 64.05 59.57 1bw4 n THR 9 Cb 0.46 -0.18 -0.14 0.00 -2.10 0.00 0.00 70.33 68.38 1bw4 n THR 9 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1bw4 s TYR 10 N -2.56 1.33 -0.63 4.78 -0.85 -1.26 -0.81 117.35 117.34 1bw4 s TYR 10 Ca 0.37 -1.66 -0.28 0.00 -0.52 0.00 0.00 57.07 54.98 1bw4 s TYR 10 Cb -0.03 -1.46 0.03 0.00 0.38 0.00 0.00 41.96 40.88 1bw4 s TYR 10 CO 0.24 -0.85 1.22 -1.58 -1.52 0.00 0.00 175.55 173.06 1bw4 s HIS 11 N 1.43 2.50 -0.74 -3.49 2.46 -0.64 -3.94 115.29 112.87 1bw4 s HIS 11 Ca 0.12 0.26 -0.27 0.00 0.47 0.00 0.00 55.06 55.64 1bw4 s HIS 11 Cb -0.19 -4.55 0.03 0.00 -0.13 0.00 0.00 32.58 27.74 1bw4 s HIS 11 CO -0.20 -1.75 1.27 1.52 -2.47 0.00 0.00 174.74 173.12 1bw4 s TYR 12 N 5.21 2.29 -0.41 3.88 -0.85 -1.25 -2.18 117.35 124.04 1bw4 s TYR 12 Ca 0.40 -0.06 -0.20 0.00 -0.52 0.00 0.00 57.07 56.69 1bw4 s TYR 12 Cb -0.08 -4.62 0.02 0.00 0.38 0.00 0.00 41.96 37.66 1bw4 s TYR 12 CO 0.22 -2.07 0.63 0.71 -1.52 0.00 0.00 175.55 173.52 1bw4 s TYR 13 N 5.70 3.10 0.00 -3.49 1.51 -0.96 -4.79 117.35 118.43 1bw4 s TYR 13 Ca 0.35 0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.48 1bw4 s TYR 13 Cb -0.08 -3.25 0.00 0.00 -0.11 0.00 0.00 41.96 38.52 1bw4 s TYR 13 CO 0.15 -0.77 0.00 0.54 -1.11 0.00 0.00 175.55 174.36 1bw4 n ARG 14 N 6.15 0.00 -0.08 -0.62 3.00 -1.26 -1.84 116.66 122.00 1bw4 n ARG 14 Ca -0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 57.85 57.62 1bw4 n ARG 14 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.82 1bw4 n ARG 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1bw4 n PRO 15 N 0.00 0.68 0.00 5.56 -0.05 -1.26 -4.69 135.00 135.23 1bw4 n PRO 15 Ca 0.00 0.22 0.00 0.00 -0.05 0.00 0.00 63.50 63.67 1bw4 n PRO 15 Cb 0.00 -1.59 0.00 0.00 -0.05 0.00 0.00 33.50 31.86 1bw4 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1bw4 n ALA 16 N -3.27 0.11 -0.18 0.55 0.00 -1.26 -3.11 120.51 113.35 1bw4 n ALA 16 Ca -0.41 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 52.96 1bw4 n ALA 16 Cb 0.98 -0.08 0.03 0.00 0.00 0.00 0.00 19.45 20.38 1bw4 n ALA 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1bw4 h GLN 17 N 0.00 0.70 -2.15 0.00 -0.00 -1.94 -0.35 115.11 111.37 1bw4 h GLN 17 Ca 0.00 -0.04 -0.76 0.00 -0.00 0.00 0.00 58.65 57.85 1bw4 h GLN 17 Cb 0.03 -0.16 -0.25 0.00 -0.00 0.00 0.00 27.48 27.10 1bw4 h GLN 17 CO 0.00 0.47 1.11 -1.71 -0.00 0.00 0.00 178.83 178.70 1bw4 n ASN 18 N -4.71 7.41 -4.48 0.06 5.15 -1.18 -4.60 115.26 112.91 1bw4 n ASN 18 Ca 0.03 -3.66 -0.40 0.00 -0.60 0.00 0.00 54.58 49.95 1bw4 n ASN 18 Cb 0.02 -1.15 -0.08 0.00 -0.53 0.00 0.00 39.78 38.04 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bw4 n ASN 19 N -0.01 -1.20 -3.27 1.20 4.05 -0.17 0.86 115.26 116.72 1bw4 n ASN 19 Ca 0.51 -1.25 -0.15 0.00 0.45 0.00 0.00 54.58 54.15 1bw4 n ASN 19 Cb 0.27 -1.59 0.00 0.00 1.23 0.00 0.00 39.78 39.70 1bw4 n ASN 19 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 177.26 171.54 1bw4 n TRP 20 N -4.15 -1.18 -2.60 1.20 2.14 -1.06 -4.80 117.44 106.99 1bw4 n TRP 20 Ca 0.02 0.48 -0.42 0.00 2.07 0.00 0.00 57.50 59.65 1bw4 n TRP 20 Cb 0.50 -1.61 -0.03 0.00 -0.81 0.00 0.00 31.31 29.37 1bw4 n TRP 20 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1bw4 s ASP 21 N -2.59 6.40 0.00 -0.67 2.15 0.25 -4.38 116.67 117.83 1bw4 s ASP 21 Ca 0.00 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 52.98 1bw4 s ASP 21 Cb -0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1bw4 s ASP 21 CO 0.53 -1.51 0.00 0.18 -0.17 0.00 0.00 175.17 174.20 1bw4 n LEU 22 N 8.49 0.00 -2.40 -1.34 4.77 -1.26 0.04 117.00 125.30 1bw4 n LEU 22 Ca 0.07 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1bw4 n LEU 22 Cb 0.49 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1bw4 n LEU 22 CO 0.71 0.00 -0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1bw4 n GLY 23 N 0.00 -0.46 3.13 -0.72 0.00 -1.25 -4.62 105.19 101.26 1bw4 n GLY 23 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1bw4 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 n ALA 24 N -2.39 4.72 -1.00 4.61 0.00 0.11 -4.76 120.51 121.79 1bw4 n ALA 24 Ca -0.00 -4.31 0.00 0.00 0.00 0.00 0.00 53.44 49.13 1bw4 n ALA 24 Cb 0.47 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.94 1bw4 n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bw4 n PRO 25 N 4.50 0.00 -1.21 0.00 -0.01 -1.26 -3.22 135.00 133.80 1bw4 n PRO 25 Ca 0.38 0.01 -0.22 0.00 -0.01 0.00 0.00 63.50 63.66 1bw4 n PRO 25 Cb 0.39 -0.54 -0.01 0.00 -0.01 0.00 0.00 33.50 33.33 1bw4 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bw4 n ALA 26 N -2.84 5.85 -2.00 3.55 0.00 -1.26 -4.84 120.51 118.97 1bw4 n ALA 26 Ca 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 51.03 1bw4 n ALA 26 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1bw4 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bw4 n VAL 27 N 0.62 0.00 0.00 0.00 0.31 -1.20 -5.15 118.33 112.91 1bw4 n VAL 27 Ca 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.74 1bw4 n VAL 27 Cb 0.57 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 1bw4 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw4 n SER 28 N 0.00 0.00 -4.94 4.52 3.41 -1.26 -5.09 113.62 110.26 1bw4 n SER 28 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 1bw4 n SER 28 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1bw4 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw4 s ALA 29 N -0.42 3.56 0.08 7.33 0.00 -1.26 -4.91 121.76 126.15 1bw4 s ALA 29 Ca 0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 1bw4 s ALA 29 Cb 0.00 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.78 1bw4 s ALA 29 CO 0.00 -0.58 0.72 0.98 0.00 0.00 0.00 175.76 176.88 1bw4 n TYR 30 N -2.32 -0.14 -1.09 0.00 4.19 -1.26 -0.07 117.16 116.46 1bw4 n TYR 30 Ca 0.03 0.58 -0.03 0.00 3.31 0.00 0.00 57.90 61.79 1bw4 n TYR 30 Cb 0.58 -0.58 0.29 0.00 0.49 0.00 0.00 39.34 40.12 1bw4 n TYR 30 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw4 h ALA 32 N 2.30 1.84 0.00 0.00 0.00 -0.84 0.41 119.26 122.97 1bw4 h ALA 32 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1bw4 h ALA 32 Cb 2.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1bw4 h ALA 32 CO 0.61 -0.06 0.00 2.41 0.00 0.00 0.00 179.25 182.21 1bw4 n THR 33 N -4.22 0.52 0.00 0.00 -1.04 -1.26 -2.39 114.28 105.89 1bw4 n THR 33 Ca -0.02 0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1bw4 n THR 33 Cb 0.14 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 1bw4 n THR 33 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1bw4 n TRP 34 N -1.50 0.00 0.06 -1.42 8.01 0.14 -4.86 117.44 117.87 1bw4 n TRP 34 Ca 0.05 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.15 1bw4 n TRP 34 Cb 0.25 0.04 -0.13 0.00 -2.01 0.00 0.00 31.31 29.46 1bw4 n TRP 34 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1bw4 h ASP 35 N 0.00 0.11 -0.94 -0.99 3.32 -0.46 -3.27 116.42 114.20 1bw4 h ASP 35 Ca 0.00 -0.13 0.25 0.00 0.02 0.00 0.00 57.03 57.17 1bw4 h ASP 35 Cb 0.90 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.35 1bw4 h ASP 35 CO 0.00 1.10 0.64 0.00 -1.72 0.00 0.00 179.24 179.26 1bw4 h ALA 36 N 0.88 2.53 0.00 3.45 0.00 -1.60 0.14 119.26 124.67 1bw4 h ALA 36 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1bw4 h ALA 36 Cb 1.84 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1bw4 h ALA 36 CO 0.14 -0.83 0.14 -1.13 0.00 0.00 0.00 179.25 177.58 1bw4 n SER 37 N -4.41 0.38 -4.85 0.00 3.41 -1.23 -4.67 113.62 102.25 1bw4 n SER 37 Ca 0.20 0.62 -0.33 0.00 -0.26 0.00 0.00 58.87 59.10 1bw4 n SER 37 Cb 0.87 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 1bw4 n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1bw4 s LYS 38 N -3.34 3.97 0.21 4.33 3.01 0.49 -5.07 119.74 123.34 1bw4 s LYS 38 Ca -0.02 0.54 -0.04 0.00 -1.01 0.00 0.00 55.97 55.45 1bw4 s LYS 38 Cb 0.04 -2.65 0.05 0.00 -1.01 0.00 0.00 37.83 34.27 1bw4 s LYS 38 CO 0.13 0.30 0.13 -0.35 0.51 0.00 0.00 175.35 176.07 1bw4 n PRO 39 N 0.07 -2.28 0.01 -1.68 -0.04 -1.26 -4.88 135.00 124.94 1bw4 n PRO 39 Ca 0.00 -0.22 -0.19 0.00 -0.04 0.00 0.00 63.50 63.06 1bw4 n PRO 39 Cb 0.52 -0.27 -0.14 0.00 -0.04 0.00 0.00 33.50 33.57 1bw4 n PRO 39 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bw4 h LEU 40 N 0.00 0.33 -0.02 1.53 3.38 -1.97 -3.31 115.31 115.25 1bw4 h LEU 40 Ca -0.06 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 56.97 1bw4 h LEU 40 Cb 0.19 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1bw4 h LEU 40 CO 0.04 1.33 -0.02 -1.28 0.09 0.00 0.00 178.44 178.59 1bw4 h SER 41 N -0.54 -0.05 -0.60 -0.43 0.87 -1.99 0.18 113.55 110.99 1bw4 h SER 41 Ca -0.13 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.50 1bw4 h SER 41 Cb 1.49 0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 63.37 1bw4 h SER 41 CO 0.09 -0.01 -0.56 -0.25 -0.53 0.00 0.00 176.83 175.58 1bw4 h TRP 42 N -0.01 -1.73 -0.47 2.24 7.01 -1.96 0.33 115.95 121.38 1bw4 h TRP 42 Ca 0.00 0.10 0.09 0.00 2.11 0.00 0.00 58.89 61.19 1bw4 h TRP 42 Cb 0.01 0.83 -0.10 0.00 -2.10 0.00 0.00 29.16 27.81 1bw4 h TRP 42 CO -0.75 -0.45 -0.23 0.00 -2.79 0.00 0.00 178.44 174.22 1bw4 h ARG 43 N -0.27 -0.13 0.13 2.65 3.08 -1.52 -0.63 114.38 117.69 1bw4 h ARG 43 Ca 0.11 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1bw4 h ARG 43 Cb 0.54 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1bw4 h ARG 43 CO -0.71 -0.09 -0.06 0.66 -1.07 0.00 0.00 179.97 178.70 1bw4 h SER 44 N -0.14 -0.15 -0.93 7.04 4.64 0.31 -3.30 113.55 121.03 1bw4 h SER 44 Ca 0.22 -0.23 0.12 0.00 -0.47 0.00 0.00 61.79 61.43 1bw4 h SER 44 Cb 0.48 0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 62.47 1bw4 h SER 44 CO -0.55 0.15 -0.47 0.50 -0.87 0.00 0.00 176.83 175.59 1bw4 h LYS 45 N -0.45 -0.04 -4.34 4.77 3.64 0.05 -3.30 116.57 116.90 1bw4 h LYS 45 Ca -0.02 0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.65 1bw4 h LYS 45 Cb 0.36 0.01 -0.32 0.00 -0.41 0.00 0.00 32.23 31.87 1bw4 h LYS 45 CO 0.03 -0.03 -0.46 -0.47 -2.27 0.00 0.00 179.45 176.26 1bw4 s TYR 46 N -5.76 3.51 0.20 1.91 5.04 -0.28 -5.06 117.35 116.90 1bw4 s TYR 46 Ca -0.13 -2.18 -0.11 0.00 -2.44 0.00 0.00 57.07 52.21 1bw4 s TYR 46 Cb 0.16 -3.36 -0.08 0.00 0.35 0.00 0.00 41.96 39.03 1bw4 s TYR 46 CO 0.67 -0.98 0.05 0.41 -1.34 0.00 0.00 175.55 174.36 1bw4 n GLY 47 N 4.66 -1.34 2.43 8.97 0.00 -1.24 -4.50 105.19 114.16 1bw4 n GLY 47 Ca -0.04 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1bw4 n GLY 47 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1bw4 s TRP 48 N -0.82 0.88 0.00 1.61 1.48 -1.26 0.24 118.94 121.08 1bw4 s TRP 48 Ca 0.29 -2.00 -0.30 0.00 -1.06 0.00 0.00 56.10 53.03 1bw4 s TRP 48 Cb -0.32 -0.89 -0.03 0.00 -1.16 0.00 0.00 33.47 31.07 1bw4 s TRP 48 CO 0.31 -0.84 0.98 -0.08 -4.06 0.00 0.00 176.95 173.27 1bw4 s THR 49 N 0.49 4.84 -0.89 0.66 -1.32 0.28 -4.53 115.64 115.17 1bw4 s THR 49 Ca 0.27 2.05 -0.22 0.00 -1.21 0.00 0.00 61.69 62.58 1bw4 s THR 49 Cb -0.07 -4.31 0.08 0.00 -1.51 0.00 0.00 72.50 66.69 1bw4 s THR 49 CO -0.11 0.16 1.22 0.00 -2.21 0.00 0.00 174.62 173.68 1bw4 s ALA 50 N 0.99 3.05 0.28 11.08 0.00 -1.25 -1.48 121.76 134.42 1bw4 s ALA 50 Ca 0.52 -2.30 -0.18 0.00 0.00 0.00 0.00 51.96 50.00 1bw4 s ALA 50 Cb -0.21 -4.20 -0.09 0.00 0.00 0.00 0.00 23.12 18.62 1bw4 s ALA 50 CO 0.28 -3.19 0.76 0.12 0.00 0.00 0.00 175.76 173.73 1bw4 s PHE 51 N 3.98 3.51 0.00 0.00 2.19 -0.64 -0.39 117.98 126.64 1bw4 s PHE 51 Ca 0.35 1.35 0.00 0.00 0.33 0.00 0.00 56.93 58.97 1bw4 s PHE 51 Cb -0.06 -2.62 0.00 0.00 -1.31 0.00 0.00 43.02 39.04 1bw4 s PHE 51 CO -0.04 0.20 0.00 0.00 1.83 0.00 0.00 175.22 177.21 1bw4 n GLY 53 N 3.46 -0.62 2.96 0.00 0.00 -1.15 -4.66 105.19 105.18 1bw4 n GLY 53 Ca 0.00 0.30 -0.08 0.00 0.00 0.00 0.00 46.02 46.24 1bw4 n GLY 53 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bw4 n PRO 54 N -4.58 0.00 -3.19 1.61 -0.04 -1.26 -4.81 135.00 122.73 1bw4 n PRO 54 Ca -0.19 -0.25 -0.41 0.00 -0.04 0.00 0.00 63.50 62.61 1bw4 n PRO 54 Cb 0.62 -1.40 -0.01 0.00 -0.04 0.00 0.00 33.50 32.67 1bw4 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 n ALA 55 N 4.43 4.72 0.00 0.55 0.00 -1.26 -4.61 120.51 124.34 1bw4 n ALA 55 Ca 0.09 -4.75 0.00 0.00 0.00 0.00 0.00 53.44 48.77 1bw4 n ALA 55 Cb 0.18 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1bw4 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw4 n GLY 56 N 1.68 1.27 3.78 0.00 0.00 -1.26 -4.46 105.19 106.19 1bw4 n GLY 56 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 1bw4 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw4 s PRO 57 N -0.19 3.35 -0.49 1.61 0.04 -1.26 -0.05 135.00 138.01 1bw4 s PRO 57 Ca 0.00 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.55 1bw4 s PRO 57 Cb 0.00 -2.02 0.43 0.00 0.04 0.00 0.00 34.50 32.96 1bw4 s PRO 57 CO 0.00 -0.82 1.49 -2.13 0.04 0.00 0.00 177.00 175.57 1bw4 n ARG 58 N -1.50 3.24 0.00 4.56 3.00 -1.26 -4.85 116.66 119.85 1bw4 n ARG 58 Ca 0.11 -3.95 0.00 0.00 -0.00 0.00 0.00 57.85 54.01 1bw4 n ARG 58 Cb 0.52 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.70 1bw4 n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bw4 n GLY 59 N -0.69 0.77 0.33 5.14 0.00 -1.26 -2.15 105.19 107.34 1bw4 n GLY 59 Ca 0.49 -0.69 0.02 0.00 0.00 0.00 0.00 46.02 45.84 1bw4 n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bw4 n GLN 60 N 0.00 -0.14 0.31 1.61 6.02 -1.26 -0.11 117.38 123.80 1bw4 n GLN 60 Ca 0.00 1.37 0.12 0.00 -0.01 0.00 0.00 57.00 58.47 1bw4 n GLN 60 Cb 0.00 -2.04 0.63 0.00 1.02 0.00 0.00 30.24 29.85 1bw4 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw4 h ALA 61 N 1.48 1.41 0.05 -1.58 0.00 -1.92 0.08 119.26 118.79 1bw4 h ALA 61 Ca 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.13 1bw4 h ALA 61 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bw4 h ALA 61 CO -0.89 -0.41 -0.75 0.00 0.00 0.00 0.00 179.25 177.20 1bw4 h ALA 62 N 1.11 0.08 -0.52 0.00 0.00 0.01 -3.32 119.26 116.62 1bw4 h ALA 62 Ca 0.00 -0.83 0.15 0.00 0.00 0.00 0.00 54.91 54.23 1bw4 h ALA 62 Cb 0.86 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1bw4 h ALA 62 CO 0.00 0.41 0.58 0.00 0.00 0.00 0.00 179.25 180.25 1bw4 n GLY 64 N -1.52 1.79 2.07 0.00 0.00 -1.19 -4.40 105.19 101.93 1bw4 n GLY 64 Ca 0.10 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 1bw4 n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bw4 n LYS 65 N 1.07 1.25 -4.48 1.61 5.02 0.87 -4.77 118.16 118.73 1bw4 n LYS 65 Ca 0.19 -2.06 -0.24 0.00 -2.02 0.00 0.00 58.31 54.19 1bw4 n LYS 65 Cb 0.55 0.48 -0.10 0.00 -0.02 0.00 0.00 35.03 35.94 1bw4 n LYS 65 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bw4 s LEU 67 N -3.52 2.52 -0.26 0.00 0.20 0.11 -0.46 118.68 117.28 1bw4 s LEU 67 Ca 0.30 -0.41 -0.06 0.00 0.69 0.00 0.00 54.13 54.65 1bw4 s LEU 67 Cb 0.00 -1.56 -0.01 0.00 -0.43 0.00 0.00 46.19 44.19 1bw4 s LEU 67 CO 0.14 0.14 0.04 -0.60 -0.29 0.00 0.00 176.35 175.79 1bw4 s ARG 68 N 0.46 3.39 -0.13 1.98 6.06 0.40 -0.69 118.95 130.42 1bw4 s ARG 68 Ca -0.11 -0.64 0.00 0.00 -2.50 0.00 0.00 55.73 52.48 1bw4 s ARG 68 Cb -0.16 -3.25 -0.01 0.00 0.06 0.00 0.00 34.95 31.59 1bw4 s ARG 68 CO 0.05 -0.27 -0.15 0.08 -2.50 0.00 0.00 175.30 172.51 1bw4 s VAL 69 N 1.54 2.84 -0.05 7.11 1.01 -0.79 -1.37 120.40 130.69 1bw4 s VAL 69 Ca 0.05 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1bw4 s VAL 69 Cb -0.16 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 1bw4 s VAL 69 CO 0.01 0.53 -0.20 -0.89 0.00 0.00 0.00 175.10 174.55 1bw4 s THR 70 N 0.46 1.67 -0.56 3.92 2.01 -0.54 -1.09 115.64 121.51 1bw4 s THR 70 Ca -0.11 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.02 1bw4 s THR 70 Cb -0.16 -1.43 0.15 0.00 0.01 0.00 0.00 72.50 71.06 1bw4 s THR 70 CO 0.05 0.47 0.38 0.21 -0.69 0.00 0.00 174.62 175.04 1bw4 s ASN 71 N 0.04 5.27 0.03 3.53 2.47 -0.07 -1.41 114.94 124.79 1bw4 s ASN 71 Ca -0.06 -2.61 -0.06 0.00 0.42 0.00 0.00 52.86 50.55 1bw4 s ASN 71 Cb -0.13 -1.85 -0.01 0.00 -1.45 0.00 0.00 41.25 37.80 1bw4 s ASN 71 CO 0.03 -0.43 1.02 -2.65 -3.72 0.00 0.00 177.10 171.36 1bw4 n PRO 72 N 3.83 -0.09 -0.22 0.43 -0.02 -1.26 -1.13 135.00 136.53 1bw4 n PRO 72 Ca 0.05 1.01 0.17 0.00 -2.02 0.00 0.00 63.50 62.71 1bw4 n PRO 72 Cb 0.39 -1.51 0.27 0.00 -0.02 0.00 0.00 33.50 32.63 1bw4 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 n ALA 73 N -3.00 0.60 -0.03 3.55 0.00 -1.26 0.47 120.51 120.84 1bw4 n ALA 73 Ca 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.65 1bw4 n ALA 73 Cb 0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 1bw4 n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bw4 n THR 74 N -2.85 0.39 -0.34 0.00 -2.24 -0.28 -5.00 114.28 103.96 1bw4 n THR 74 Ca 0.15 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1bw4 n THR 74 Cb 0.65 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1bw4 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw4 n GLY 75 N 3.11 0.81 3.78 3.38 0.00 0.18 -5.05 105.19 111.41 1bw4 n GLY 75 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1bw4 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 s ALA 76 N -2.07 3.47 0.02 4.61 0.00 -1.25 -4.85 121.76 121.70 1bw4 s ALA 76 Ca 0.00 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.27 1bw4 s ALA 76 Cb 0.00 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1bw4 s ALA 76 CO 0.00 0.31 -0.06 1.14 0.00 0.00 0.00 175.76 177.16 1bw4 s GLN 77 N -1.17 0.41 0.06 0.00 1.03 -1.26 -0.89 119.66 117.84 1bw4 s GLN 77 Ca 0.35 -0.54 -0.02 0.00 0.04 0.00 0.00 55.36 55.19 1bw4 s GLN 77 Cb -0.22 -0.21 -0.04 0.00 0.03 0.00 0.00 33.01 32.57 1bw4 s GLN 77 CO 0.25 0.04 -0.00 -1.50 -2.54 0.00 0.00 175.29 171.53 1bw4 s ILE 78 N -1.01 0.20 -0.29 3.63 1.10 -0.25 -4.98 121.20 119.60 1bw4 s ILE 78 Ca -0.08 -1.76 -0.04 0.00 -0.51 0.00 0.00 60.65 58.26 1bw4 s ILE 78 Cb -0.07 -1.54 0.02 0.00 0.15 0.00 0.00 42.46 41.01 1bw4 s ILE 78 CO -0.00 -0.93 0.03 -0.89 -2.11 0.00 0.00 174.94 171.04 1bw4 s THR 79 N -3.92 3.45 0.45 4.00 2.01 -1.26 -1.88 115.64 118.48 1bw4 s THR 79 Ca 0.08 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.20 1bw4 s THR 79 Cb 0.08 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 1bw4 s THR 79 CO -0.09 0.06 0.34 0.00 -0.69 0.00 0.00 174.62 174.24 1bw4 s ALA 80 N 1.40 4.04 -0.15 7.40 0.00 0.13 -4.01 121.76 130.56 1bw4 s ALA 80 Ca 0.00 -1.81 -0.08 0.00 0.00 0.00 0.00 51.96 50.07 1bw4 s ALA 80 Cb -0.18 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1bw4 s ALA 80 CO -0.00 -0.27 0.13 0.50 0.00 0.00 0.00 175.76 176.11 1bw4 s ARG 81 N -4.12 3.73 -0.51 0.00 3.52 0.67 0.10 118.95 122.34 1bw4 s ARG 81 Ca 0.43 -0.18 -0.22 0.00 -0.13 0.00 0.00 55.73 55.63 1bw4 s ARG 81 Cb -0.01 -3.26 0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1bw4 s ARG 81 CO 0.25 0.57 0.77 0.42 -0.81 0.00 0.00 175.30 176.51 1bw4 s ILE 82 N -0.43 4.65 -0.16 4.11 1.01 0.70 0.98 121.20 132.06 1bw4 s ILE 82 Ca 0.12 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.72 1bw4 s ILE 82 Cb -0.12 -4.38 -0.07 0.00 0.01 0.00 0.00 42.46 37.90 1bw4 s ILE 82 CO 0.01 -0.88 -0.19 0.52 0.00 0.00 0.00 174.94 174.40 1bw4 n VAL 83 N 5.95 0.86 -4.28 2.92 0.31 -0.55 -4.04 118.33 119.50 1bw4 n VAL 83 Ca -0.01 -0.23 -0.23 0.00 -0.01 0.00 0.00 64.34 63.85 1bw4 n VAL 83 Cb 0.47 -1.62 -0.07 0.00 -0.91 0.00 0.00 33.84 31.70 1bw4 n VAL 83 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1bw4 s ASP 84 N -6.29 4.57 -0.58 4.52 -1.08 -1.16 -4.25 116.67 112.40 1bw4 s ASP 84 Ca -0.22 -0.62 0.05 0.00 -0.52 0.00 0.00 52.55 51.24 1bw4 s ASP 84 Cb 0.08 -0.87 0.17 0.00 -1.46 0.00 0.00 42.92 40.85 1bw4 s ASP 84 CO 0.29 0.01 0.43 0.00 0.52 0.00 0.00 175.17 176.42 1bw4 n GLN 85 N -0.82 1.14 -3.35 4.34 6.02 -1.21 -1.61 117.38 121.88 1bw4 n GLN 85 Ca -0.07 -3.93 -0.20 0.00 -0.01 0.00 0.00 57.00 52.79 1bw4 n GLN 85 Cb 0.59 -2.02 -0.00 0.00 1.02 0.00 0.00 30.24 29.83 1bw4 n GLN 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw4 n ALA 87 N -1.78 1.98 -2.81 0.00 0.00 -1.26 -2.94 120.51 113.70 1bw4 n ALA 87 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 1bw4 n ALA 87 Cb 0.61 0.30 -0.09 0.00 0.00 0.00 0.00 19.45 20.27 1bw4 n ALA 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bw4 s ASN 88 N -3.20 5.61 0.00 0.00 2.20 -1.26 -4.59 114.94 113.70 1bw4 s ASN 88 Ca 0.00 0.13 0.00 0.00 -0.94 0.00 0.00 52.86 52.05 1bw4 s ASN 88 Cb 0.00 -1.88 0.00 0.00 -2.00 0.00 0.00 41.25 37.37 1bw4 s ASN 88 CO 0.00 0.24 0.00 0.61 -2.94 0.00 0.00 177.10 175.01 1bw4 n GLY 89 N 3.08 0.33 0.00 0.45 0.00 -1.26 -4.93 105.19 102.86 1bw4 n GLY 89 Ca -0.17 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1bw4 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw4 n GLY 90 N 0.00 3.03 2.64 -0.02 0.00 -1.25 -4.72 105.19 104.86 1bw4 n GLY 90 Ca 0.00 -1.97 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 1bw4 n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bw4 n LEU 91 N 0.00 4.38 -3.59 0.99 0.00 0.01 -1.62 117.00 117.17 1bw4 n LEU 91 Ca 0.00 -5.31 -0.16 0.00 0.00 0.00 0.00 56.01 50.54 1bw4 n LEU 91 Cb 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 43.42 42.93 1bw4 n LEU 91 CO 0.00 2.25 0.31 1.51 0.00 0.00 0.00 177.39 181.46 1bw4 s ASP 92 N -3.47 -0.51 -0.52 1.96 -4.77 -0.57 -2.74 116.67 106.04 1bw4 s ASP 92 Ca 0.47 0.52 -0.24 0.00 -3.30 0.00 0.00 52.55 50.00 1bw4 s ASP 92 Cb 0.36 0.47 0.04 0.00 -1.09 0.00 0.00 42.92 42.70 1bw4 s ASP 92 CO -0.16 -0.56 0.89 -0.76 0.70 0.00 0.00 175.17 175.28 1bw4 s LEU 93 N -1.25 4.18 0.84 2.11 1.02 0.48 -2.26 118.68 123.81 1bw4 s LEU 93 Ca -0.12 -0.32 -0.17 0.00 0.02 0.00 0.00 54.13 53.54 1bw4 s LEU 93 Cb -0.02 -2.85 -0.15 0.00 0.02 0.00 0.00 46.19 43.19 1bw4 s LEU 93 CO 0.08 -1.14 -0.56 -0.67 0.02 0.00 0.00 176.35 174.08 1bw4 n ASP 94 N 7.22 -5.19 0.00 2.29 2.03 -0.77 -3.63 116.55 118.51 1bw4 n ASP 94 Ca 0.02 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1bw4 n ASP 94 Cb 0.47 -0.80 0.00 0.00 -0.72 0.00 0.00 41.12 40.07 1bw4 n ASP 94 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1bw4 n TRP 95 N -2.20 0.00 0.00 -0.67 -0.00 -1.26 -4.23 117.44 109.07 1bw4 n TRP 95 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.51 1bw4 n TRP 95 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.84 1bw4 n TRP 95 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1bw4 n ASP 96 N 0.00 0.00 0.00 5.87 2.03 -1.24 -3.61 116.55 119.60 1bw4 n ASP 96 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1bw4 n ASP 96 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1bw4 n THR 97 N 0.00 0.00 -0.02 5.18 -2.24 -1.26 -4.26 114.28 111.69 1bw4 n THR 97 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1bw4 n THR 97 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1bw4 n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1bw4 n VAL 98 N 0.00 0.30 -0.13 2.28 0.31 -1.24 -4.28 118.33 115.57 1bw4 n VAL 98 Ca 0.00 0.44 -0.08 0.00 -0.01 0.00 0.00 64.34 64.69 1bw4 n VAL 98 Cb 0.00 -1.69 -0.03 0.00 -0.91 0.00 0.00 33.84 31.21 1bw4 n VAL 98 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1bw4 h PHE 99 N -0.22 -1.06 0.00 3.52 3.04 -1.79 0.32 116.94 120.75 1bw4 h PHE 99 Ca 0.00 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1bw4 h PHE 99 Cb 0.11 0.52 0.00 0.00 2.56 0.00 0.00 35.95 39.14 1bw4 h PHE 99 CO -0.05 -0.41 0.00 0.25 -2.02 0.00 0.00 178.31 176.08 1bw4 n THR 100 N -5.42 0.10 -0.04 4.41 -2.24 -1.26 -0.43 114.28 109.40 1bw4 n THR 100 Ca 0.01 0.03 -0.07 0.00 -2.27 0.00 0.00 64.05 61.74 1bw4 n THR 100 Cb 0.35 -0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 67.59 1bw4 n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bw4 n LYS 101 N -1.03 0.18 0.15 -0.78 4.76 0.78 -4.70 118.16 117.52 1bw4 n LYS 101 Ca 0.03 0.06 0.12 0.00 -2.87 0.00 0.00 58.31 55.66 1bw4 n LYS 101 Cb 0.02 -0.94 0.17 0.00 -1.84 0.00 0.00 35.03 32.44 1bw4 n LYS 101 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1bw4 h ILE 102 N -0.17 0.00 -3.30 -0.18 3.07 -0.39 -3.44 117.51 113.10 1bw4 h ILE 102 Ca -0.19 -0.83 -0.59 0.00 1.55 0.00 0.00 64.86 64.80 1bw4 h ILE 102 Cb 1.22 1.64 -0.10 0.00 -0.27 0.00 0.00 36.82 39.31 1bw4 h ILE 102 CO -0.08 0.00 -0.34 -0.62 -1.05 0.00 0.00 178.15 176.05 1bw4 s ASP 103 N -5.40 6.40 0.13 2.16 -1.08 0.43 -4.77 116.67 114.54 1bw4 s ASP 103 Ca 0.06 0.47 -0.00 0.00 -0.52 0.00 0.00 52.55 52.55 1bw4 s ASP 103 Cb 0.09 -2.17 -0.12 0.00 -1.46 0.00 0.00 42.92 39.25 1bw4 s ASP 103 CO 0.69 0.10 1.29 0.71 0.52 0.00 0.00 175.17 178.48 1bw4 h THR 104 N 4.70 1.50 0.00 1.71 1.35 -1.85 -3.39 112.91 116.93 1bw4 h THR 104 Ca -0.41 -2.79 -0.09 0.00 -0.55 0.00 0.00 66.41 62.58 1bw4 h THR 104 Cb 1.16 2.63 -0.02 0.00 -1.73 0.00 0.00 68.15 70.19 1bw4 h THR 104 CO 0.76 0.81 -1.37 -0.46 -0.25 0.00 0.00 175.52 175.01 1bw4 n ASN 105 N -3.61 3.60 0.00 5.36 0.23 -1.26 -5.01 115.26 114.57 1bw4 n ASN 105 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.00 1bw4 n ASN 105 Cb 0.89 0.75 0.00 0.00 -2.08 0.00 0.00 39.78 39.34 1bw4 n ASN 105 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw4 n GLY 106 N 2.56 3.17 0.07 4.83 0.00 -1.26 -4.93 105.19 109.63 1bw4 n GLY 106 Ca -0.08 -1.00 0.03 0.00 0.00 0.00 0.00 46.02 44.97 1bw4 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw4 n ILE 107 N 0.00 -0.09 -0.30 -0.61 2.08 -1.26 -0.62 119.36 118.56 1bw4 n ILE 107 Ca 0.00 0.45 -0.00 0.00 0.56 0.00 0.00 62.75 63.76 1bw4 n ILE 107 Cb 0.00 -0.66 0.04 0.00 -0.75 0.00 0.00 39.64 38.27 1bw4 n ILE 107 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1bw4 n GLY 108 N -1.10 -1.58 0.27 7.39 0.00 -1.26 -0.06 105.19 108.85 1bw4 n GLY 108 Ca 0.05 0.87 0.09 0.00 0.00 0.00 0.00 46.02 47.03 1bw4 n GLY 108 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1bw4 h TYR 109 N 0.00 0.00 0.08 1.61 5.03 -1.12 0.87 116.97 123.43 1bw4 h TYR 109 Ca 0.29 0.00 -0.36 0.00 2.58 0.00 0.00 58.73 61.24 1bw4 h TYR 109 Cb 0.48 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.73 1bw4 h TYR 109 CO -0.68 0.00 -2.07 0.94 -1.32 0.00 0.00 178.16 175.03 1bw4 n GLN 110 N -2.48 0.72 0.20 1.82 0.00 0.91 -4.15 117.38 114.40 1bw4 n GLN 110 Ca -0.01 0.23 0.18 0.00 -0.00 0.00 0.00 57.00 57.40 1bw4 n GLN 110 Cb 0.50 -1.68 0.79 0.00 0.00 0.00 0.00 30.24 29.86 1bw4 n GLN 110 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1bw4 h GLN 111 N 0.04 0.00 0.00 3.69 1.08 -0.79 -3.45 115.11 115.69 1bw4 h GLN 111 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 1bw4 h GLN 111 Cb 2.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.45 1bw4 h GLN 111 CO 0.05 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.34 1bw4 n GLY 112 N -1.37 2.06 3.63 3.46 0.00 -1.22 -5.04 105.19 106.71 1bw4 n GLY 112 Ca 0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 1bw4 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw4 s HIS 113 N -0.60 0.51 -0.11 1.61 -3.43 -1.26 -4.66 115.29 107.35 1bw4 s HIS 113 Ca 0.00 -0.91 0.02 0.00 -0.80 0.00 0.00 55.06 53.37 1bw4 s HIS 113 Cb 0.00 0.29 0.01 0.00 -1.43 0.00 0.00 32.58 31.45 1bw4 s HIS 113 CO 0.00 -1.20 -0.18 -1.17 -2.00 0.00 0.00 174.74 170.19 1bw4 s LEU 114 N -3.10 1.86 -0.54 5.38 2.96 0.14 -4.61 118.68 120.78 1bw4 s LEU 114 Ca 0.23 -0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 53.38 1bw4 s LEU 114 Cb -0.02 -1.19 0.03 0.00 0.50 0.00 0.00 46.19 45.51 1bw4 s LEU 114 CO 0.13 0.06 1.16 0.21 -1.32 0.00 0.00 176.35 176.60 1bw4 s ASN 115 N 0.78 6.52 0.34 3.68 3.84 -1.26 -1.89 114.94 126.95 1bw4 s ASN 115 Ca -0.10 0.25 0.05 0.00 0.21 0.00 0.00 52.86 53.27 1bw4 s ASN 115 Cb -0.16 -2.55 -0.03 0.00 -0.55 0.00 0.00 41.25 37.96 1bw4 s ASN 115 CO 0.01 -1.38 0.19 0.68 -2.79 0.00 0.00 177.10 173.81 1bw4 s VAL 116 N 4.72 0.27 -0.11 -5.21 -7.23 -0.83 -4.58 120.40 107.43 1bw4 s VAL 116 Ca 0.45 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.65 1bw4 s VAL 116 Cb -0.07 -2.45 -0.00 0.00 0.56 0.00 0.00 36.38 34.42 1bw4 s VAL 116 CO 0.28 0.00 -0.22 0.20 -0.31 0.00 0.00 175.10 175.05 1bw4 s ASN 117 N -3.44 3.24 -0.05 4.85 0.01 -0.50 -1.82 114.94 117.23 1bw4 s ASN 117 Ca 0.34 -0.53 0.02 0.00 -0.71 0.00 0.00 52.86 51.97 1bw4 s ASN 117 Cb 0.03 -1.45 0.01 0.00 0.41 0.00 0.00 41.25 40.26 1bw4 s ASN 117 CO 0.20 0.14 -0.08 -0.72 -1.51 0.00 0.00 177.10 175.13 1bw4 s TYR 118 N 0.46 1.05 -0.03 2.20 -0.85 0.20 -1.46 117.35 118.93 1bw4 s TYR 118 Ca -0.15 -0.33 0.05 0.00 -0.52 0.00 0.00 57.07 56.11 1bw4 s TYR 118 Cb -0.17 -0.82 -0.01 0.00 0.38 0.00 0.00 41.96 41.35 1bw4 s TYR 118 CO 0.06 -0.20 -0.16 -0.65 -1.52 0.00 0.00 175.55 173.08 1bw4 s GLN 119 N 0.65 1.54 0.47 -3.49 -1.52 -0.47 -0.87 119.66 115.97 1bw4 s GLN 119 Ca -0.11 -0.58 -0.22 0.00 -1.95 0.00 0.00 55.36 52.50 1bw4 s GLN 119 Cb -0.14 -1.40 -0.08 0.00 -0.22 0.00 0.00 33.01 31.18 1bw4 s GLN 119 CO 0.02 0.29 1.11 -0.06 -0.25 0.00 0.00 175.29 176.39 1bw4 s PHE 120 N -0.14 2.93 0.01 0.91 0.40 0.68 -0.45 117.98 122.31 1bw4 s PHE 120 Ca 0.01 1.57 -0.06 0.00 -0.60 0.00 0.00 56.93 57.85 1bw4 s PHE 120 Cb -0.09 -3.25 -0.00 0.00 0.51 0.00 0.00 43.02 40.18 1bw4 s PHE 120 CO 0.01 -1.22 0.10 0.08 0.70 0.00 0.00 175.22 174.89 1bw4 s VAL 121 N -1.70 0.09 0.06 -0.44 1.01 0.39 -4.75 120.40 115.06 1bw4 s VAL 121 Ca 0.65 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 1bw4 s VAL 121 Cb -0.24 -0.39 -0.07 0.00 0.00 0.00 0.00 36.38 35.68 1bw4 s VAL 121 CO 0.29 -0.40 0.55 -1.81 0.00 0.00 0.00 175.10 173.72 1bw4 s ASP 122 N -1.39 7.03 -0.03 3.32 1.01 -1.26 -0.43 116.67 124.92 1bw4 s ASP 122 Ca -0.15 1.22 -0.15 0.00 0.71 0.00 0.00 52.55 54.18 1bw4 s ASP 122 Cb -0.08 -2.34 -0.08 0.00 1.01 0.00 0.00 42.92 41.42 1bw4 s ASP 122 CO 0.01 0.28 0.65 0.00 0.21 0.00 0.00 175.17 176.32 1bw4 n ARG 124 N -4.96 -5.78 0.00 0.00 0.63 -1.26 -5.08 116.66 100.21 1bw4 n ARG 124 Ca -0.07 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 1bw4 n ARG 124 Cb 0.21 -5.47 0.00 0.00 0.45 0.00 0.00 32.46 27.65 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65