#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 1.27 -0.02 3.44 0.74 -1.26 -0.96 119.66 122.87 1bw4 s GLN 2 Ca 0.00 -1.23 0.08 0.00 0.05 0.00 0.00 55.36 54.26 1bw4 s GLN 2 Cb 0.00 -2.55 -0.02 0.00 1.10 0.00 0.00 33.01 31.54 1bw4 s GLN 2 CO 0.00 -0.81 -0.25 0.00 -0.55 0.00 0.00 175.29 173.68 1bw4 s ALA 3 N 1.35 2.19 0.32 1.58 0.00 -0.98 -5.04 121.76 121.19 1bw4 s ALA 3 Ca 0.04 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 50.96 1bw4 s ALA 3 Cb -0.18 -0.58 -0.06 0.00 0.00 0.00 0.00 23.12 22.30 1bw4 s ALA 3 CO -0.13 0.53 -0.05 -0.80 0.00 0.00 0.00 175.76 175.31 1bw4 s ASN 4 N -0.62 3.16 -0.59 0.00 0.01 -1.26 -2.16 114.94 113.48 1bw4 s ASN 4 Ca 0.10 -1.23 -0.08 0.00 -0.71 0.00 0.00 52.86 50.95 1bw4 s ASN 4 Cb -0.10 -0.24 0.01 0.00 0.41 0.00 0.00 41.25 41.33 1bw4 s ASN 4 CO -0.01 -0.33 0.38 0.47 -1.51 0.00 0.00 177.10 176.10 1bw4 n ASP 5 N -0.70 -2.78 -4.63 -1.22 9.92 -1.18 -4.94 116.55 111.01 1bw4 n ASP 5 Ca -0.05 -0.68 -0.33 0.00 -0.53 0.00 0.00 54.79 53.20 1bw4 n ASP 5 Cb 0.64 -0.97 -0.10 0.00 -0.64 0.00 0.00 41.12 40.05 1bw4 n ASP 5 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1bw4 s VAL 6 N -3.12 3.89 -0.99 2.53 1.01 -0.04 -4.91 120.40 118.77 1bw4 s VAL 6 Ca 0.11 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 1bw4 s VAL 6 Cb -0.06 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1bw4 s VAL 6 CO 0.57 0.48 1.77 -0.13 0.00 0.00 0.00 175.10 177.79 1bw4 s ARG 7 N -1.21 2.96 0.02 2.72 3.00 -1.26 -1.87 118.95 123.32 1bw4 s ARG 7 Ca 0.16 -0.73 -0.27 0.00 0.00 0.00 0.00 55.73 54.89 1bw4 s ARG 7 Cb -0.11 -5.20 -0.04 0.00 0.00 0.00 0.00 34.95 29.59 1bw4 s ARG 7 CO 0.06 -2.99 0.86 0.00 0.00 0.00 0.00 175.30 173.22 1bw4 s ALA 8 N 8.19 3.27 0.68 2.13 0.00 0.54 -4.93 121.76 131.64 1bw4 s ALA 8 Ca 0.61 0.39 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 1bw4 s ALA 8 Cb -0.03 -3.15 0.07 0.00 0.00 0.00 0.00 23.12 20.01 1bw4 s ALA 8 CO -0.02 -0.08 0.96 0.95 0.00 0.00 0.00 175.76 177.57 1bw4 s THR 9 N 0.47 2.35 -0.53 0.00 -4.23 -1.26 -0.86 115.64 111.58 1bw4 s THR 9 Ca 0.44 -0.40 0.07 0.00 -1.18 0.00 0.00 61.69 60.62 1bw4 s THR 9 Cb -0.21 -2.95 0.34 0.00 1.34 0.00 0.00 72.50 71.02 1bw4 s THR 9 CO 0.25 0.00 0.89 0.00 -0.54 0.00 0.00 174.62 175.22 1bw4 n TYR 10 N -2.80 3.15 -3.69 3.99 4.11 -1.06 -4.44 117.16 116.43 1bw4 n TYR 10 Ca 0.09 -3.96 -0.38 0.00 -0.00 0.00 0.00 57.90 53.66 1bw4 n TYR 10 Cb 0.60 -0.47 -0.12 0.00 -0.00 0.00 0.00 39.34 39.35 1bw4 n TYR 10 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bw4 s HIS 11 N -3.22 3.15 -0.86 -3.48 2.46 0.11 -4.98 115.29 108.48 1bw4 s HIS 11 Ca 0.47 -0.39 -0.06 0.00 0.47 0.00 0.00 55.06 55.55 1bw4 s HIS 11 Cb 0.29 -2.31 0.22 0.00 -0.13 0.00 0.00 32.58 30.65 1bw4 s HIS 11 CO -0.12 -0.36 0.76 1.52 -2.47 0.00 0.00 174.74 174.07 1bw4 s TYR 12 N 1.64 3.83 -0.02 3.88 -0.85 -1.26 -2.72 117.35 121.84 1bw4 s TYR 12 Ca 0.06 -2.69 -0.38 0.00 -0.52 0.00 0.00 57.07 53.53 1bw4 s TYR 12 Cb -0.16 -3.46 -0.19 0.00 0.38 0.00 0.00 41.96 38.53 1bw4 s TYR 12 CO 0.06 -0.85 1.04 0.98 -1.52 0.00 0.00 175.55 175.26 1bw4 n TYR 13 N 2.99 0.66 0.00 -3.49 9.36 0.17 -4.25 117.16 122.60 1bw4 n TYR 13 Ca 0.17 1.01 0.00 0.00 3.32 0.00 0.00 57.90 62.40 1bw4 n TYR 13 Cb 0.40 -1.98 0.00 0.00 -0.63 0.00 0.00 39.34 37.12 1bw4 n TYR 13 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1bw4 n ARG 14 N 1.54 0.00 0.00 2.98 5.12 -1.26 -2.53 116.66 122.51 1bw4 n ARG 14 Ca 0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 1bw4 n ARG 14 Cb 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.37 1bw4 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1bw4 n PRO 15 N 0.00 0.00 0.00 5.56 -0.04 -1.26 -4.63 135.00 134.63 1bw4 n PRO 15 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1bw4 n PRO 15 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1bw4 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 n ALA 16 N -3.00 0.69 -0.26 0.55 0.00 -1.26 -1.52 120.51 115.71 1bw4 n ALA 16 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1bw4 n ALA 16 Cb 0.00 -0.58 0.18 0.00 0.00 0.00 0.00 19.45 19.04 1bw4 n ALA 16 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bw4 h GLN 17 N 0.00 0.13 -1.35 0.00 5.75 -1.98 1.22 115.11 118.89 1bw4 h GLN 17 Ca 0.00 -0.01 -0.63 0.00 -0.15 0.00 0.00 58.65 57.86 1bw4 h GLN 17 Cb 0.27 -0.03 -0.37 0.00 1.07 0.00 0.00 27.48 28.42 1bw4 h GLN 17 CO 0.00 0.09 -0.16 -1.71 -2.65 0.00 0.00 178.83 174.40 1bw4 n ASN 18 N -5.31 5.77 -4.39 -0.69 4.05 -1.09 -4.82 115.26 108.79 1bw4 n ASN 18 Ca 0.14 -3.76 -0.39 0.00 0.45 0.00 0.00 54.58 51.02 1bw4 n ASN 18 Cb 0.50 -0.63 -0.08 0.00 1.23 0.00 0.00 39.78 40.80 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1bw4 n ASN 19 N -0.61 -1.30 -1.65 1.20 4.05 0.42 -0.63 115.26 116.73 1bw4 n ASN 19 Ca 0.47 -1.20 -0.02 0.00 0.45 0.00 0.00 54.58 54.28 1bw4 n ASN 19 Cb 0.65 -1.53 -0.00 0.00 1.23 0.00 0.00 39.78 40.13 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 -3.99 -0.98 -1.52 1.20 2.14 -0.57 -4.75 117.44 108.97 1bw4 n TRP 20 Ca 0.04 0.03 -0.28 0.00 2.07 0.00 0.00 57.50 59.36 1bw4 n TRP 20 Cb 0.47 -0.55 -0.14 0.00 -0.81 0.00 0.00 31.31 30.28 1bw4 n TRP 20 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 1bw4 n ASP 21 N -0.77 0.36 0.00 -0.67 -0.08 0.20 -4.74 116.55 110.85 1bw4 n ASP 21 Ca 0.01 -0.53 0.00 0.00 -1.51 0.00 0.00 54.79 52.76 1bw4 n ASP 21 Cb 0.25 -1.06 0.00 0.00 2.34 0.00 0.00 41.12 42.65 1bw4 n ASP 21 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1bw4 n LEU 22 N 11.49 0.00 0.04 -2.67 4.77 -1.26 -0.30 117.00 129.07 1bw4 n LEU 22 Ca 0.58 0.15 -0.05 0.00 -0.03 0.00 0.00 56.01 56.66 1bw4 n LEU 22 Cb 0.24 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1bw4 n LEU 22 CO 0.87 -0.15 -0.11 1.23 -1.33 0.00 0.00 177.39 177.89 1bw4 h GLY 23 N 0.00 0.00 -6.78 -0.72 0.00 -1.95 -2.94 103.07 90.69 1bw4 h GLY 23 Ca 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.61 1bw4 h GLY 23 CO 0.00 0.00 1.21 0.00 0.00 0.00 0.00 176.54 177.75 1bw4 n ALA 24 N -2.41 0.41 -0.29 3.60 0.00 0.59 -4.62 120.51 117.79 1bw4 n ALA 24 Ca -0.07 0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 1bw4 n ALA 24 Cb 0.93 -2.32 0.01 0.00 0.00 0.00 0.00 19.45 18.07 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 7.01 -0.20 0.17 0.00 -0.01 -1.26 -0.37 135.00 140.34 1bw4 n PRO 25 Ca 0.39 1.15 0.02 0.00 -0.01 0.00 0.00 63.50 65.04 1bw4 n PRO 25 Cb 0.13 -1.70 0.09 0.00 -0.01 0.00 0.00 33.50 32.01 1bw4 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bw4 h ALA 26 N 0.92 1.46 0.00 3.55 0.00 -1.95 -2.83 119.26 120.41 1bw4 h ALA 26 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1bw4 h ALA 26 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1bw4 h ALA 26 CO -0.73 -0.46 -0.08 0.28 0.00 0.00 0.00 179.25 178.26 1bw4 n VAL 27 N -1.86 0.81 -3.81 0.00 0.31 0.50 -5.02 118.33 109.25 1bw4 n VAL 27 Ca -0.00 0.26 -0.24 0.00 -0.01 0.00 0.00 64.34 64.34 1bw4 n VAL 27 Cb 0.67 -1.46 -0.01 0.00 -0.91 0.00 0.00 33.84 32.12 1bw4 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw4 n SER 28 N -3.21 -1.31 -4.76 4.52 3.41 -1.07 -4.83 113.62 106.37 1bw4 n SER 28 Ca -0.01 -0.77 -0.41 0.00 -0.26 0.00 0.00 58.87 57.42 1bw4 n SER 28 Cb 0.04 -0.93 -0.01 0.00 -0.26 0.00 0.00 64.21 63.05 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 -4.02 3.62 0.01 7.33 0.00 -1.23 -4.94 121.76 122.53 1bw4 s ALA 29 Ca 0.19 1.47 -0.01 0.00 0.00 0.00 0.00 51.96 53.60 1bw4 s ALA 29 Cb -0.10 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.43 1bw4 s ALA 29 CO 0.58 -0.90 0.10 0.98 0.00 0.00 0.00 175.76 176.52 1bw4 n TYR 30 N 1.46 -0.02 0.44 0.00 4.19 -1.26 -0.27 117.16 121.69 1bw4 n TYR 30 Ca 0.04 0.05 0.06 0.00 3.31 0.00 0.00 57.90 61.36 1bw4 n TYR 30 Cb 0.39 -0.28 0.20 0.00 0.49 0.00 0.00 39.34 40.15 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 3.62 0.29 -0.88 0.00 0.00 -0.99 0.20 119.26 121.50 1bw4 h ALA 32 Ca 0.00 0.25 0.26 0.00 0.00 0.00 0.00 54.91 55.42 1bw4 h ALA 32 Cb 0.79 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1bw4 h ALA 32 CO 0.08 -0.52 1.07 1.15 0.00 0.00 0.00 179.25 181.03 1bw4 h THR 33 N -0.05 0.06 0.00 0.00 2.02 -1.80 0.42 112.91 113.57 1bw4 h THR 33 Ca 0.32 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.40 1bw4 h THR 33 Cb 0.56 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1bw4 h THR 33 CO -0.78 0.00 -1.04 0.79 0.37 0.00 0.00 175.52 174.86 1bw4 n TRP 34 N -3.30 0.00 0.09 3.16 8.01 0.24 -4.84 117.44 120.81 1bw4 n TRP 34 Ca 0.20 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.26 1bw4 n TRP 34 Cb 1.35 -0.31 -0.13 0.00 -2.01 0.00 0.00 31.31 30.20 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 -0.41 0.28 0.00 -0.99 5.19 -0.34 -3.35 116.42 116.80 1bw4 h ASP 35 Ca -0.15 -0.30 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1bw4 h ASP 35 Cb 0.84 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1bw4 h ASP 35 CO -0.09 1.24 0.83 0.00 -3.12 0.00 0.00 179.24 178.10 1bw4 n ALA 36 N -2.47 0.00 0.05 3.45 0.00 0.15 -0.49 120.51 121.19 1bw4 n ALA 36 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1bw4 n ALA 36 Cb 1.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.36 1bw4 n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bw4 h SER 37 N 0.00 -0.15 -1.07 0.00 4.64 -1.78 -3.38 113.55 111.82 1bw4 h SER 37 Ca 0.00 -0.36 -0.63 0.00 -0.47 0.00 0.00 61.79 60.33 1bw4 h SER 37 Cb 1.66 0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 63.65 1bw4 h SER 37 CO 0.00 0.32 1.58 0.29 -0.87 0.00 0.00 176.83 178.15 1bw4 n LYS 38 N -4.95 3.67 0.00 4.77 4.01 0.35 -4.91 118.16 121.10 1bw4 n LYS 38 Ca -0.09 -2.95 0.00 0.00 -0.51 0.00 0.00 58.31 54.77 1bw4 n LYS 38 Cb 0.26 -2.43 0.00 0.00 -0.51 0.00 0.00 35.03 32.35 1bw4 n LYS 38 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1bw4 n PRO 39 N 1.44 0.00 0.03 1.97 -0.04 -1.26 -3.19 135.00 133.94 1bw4 n PRO 39 Ca 0.57 0.57 0.12 0.00 -0.04 0.00 0.00 63.50 64.72 1bw4 n PRO 39 Cb 0.38 -1.43 0.18 0.00 -0.04 0.00 0.00 33.50 32.59 1bw4 n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bw4 n LEU 40 N -2.05 0.60 -4.34 1.53 4.32 -1.26 -2.69 117.00 113.11 1bw4 n LEU 40 Ca 0.00 0.08 -0.33 0.00 -0.02 0.00 0.00 56.01 55.74 1bw4 n LEU 40 Cb 0.00 -0.19 0.12 0.00 -1.62 0.00 0.00 43.42 41.72 1bw4 n LEU 40 CO 0.00 0.04 -0.34 -0.24 -1.22 0.00 0.00 177.39 175.63 1bw4 n SER 41 N -1.83 -2.60 0.00 -1.43 2.88 -1.20 0.54 113.62 109.98 1bw4 n SER 41 Ca 0.04 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1bw4 n SER 41 Cb 0.39 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1bw4 n SER 41 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1bw4 n TRP 42 N -3.60 0.00 0.00 0.66 -0.00 -1.26 -1.82 117.44 111.42 1bw4 n TRP 42 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.55 1bw4 n TRP 42 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.87 1bw4 n TRP 42 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1bw4 n ARG 43 N 0.00 0.00 0.00 5.87 1.74 0.19 0.50 116.66 124.96 1bw4 n ARG 43 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1bw4 n ARG 43 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1bw4 n ARG 43 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1bw4 n SER 44 N 0.00 0.00 0.00 0.55 3.41 -0.81 -4.68 113.62 112.09 1bw4 n SER 44 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1bw4 n SER 44 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1bw4 n SER 44 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1bw4 n LYS 45 N 0.00 0.00 0.00 4.33 0.00 1.86 -4.53 118.16 119.82 1bw4 n LYS 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1bw4 n LYS 45 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1bw4 n LYS 45 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1bw4 n TYR 46 N 0.00 0.00 -2.52 5.64 4.02 -1.22 -4.71 117.16 118.37 1bw4 n TYR 46 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.84 1bw4 n TYR 46 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1bw4 n TYR 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1bw4 n GLY 47 N 0.00 -0.18 2.71 2.72 0.00 -1.26 -4.81 105.19 104.37 1bw4 n GLY 47 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 1bw4 n GLY 47 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bw4 s TRP 48 N -1.87 -0.29 -0.30 1.61 -0.11 0.14 -4.85 118.94 113.27 1bw4 s TRP 48 Ca 0.01 -0.02 -0.10 0.00 1.22 0.00 0.00 56.10 57.20 1bw4 s TRP 48 Cb -0.00 0.05 0.13 0.00 -1.50 0.00 0.00 33.47 32.15 1bw4 s TRP 48 CO 0.15 -0.21 0.66 -0.08 -4.62 0.00 0.00 176.95 172.85 1bw4 s THR 49 N 1.49 -0.96 0.84 5.86 -1.32 0.20 -3.92 115.64 117.83 1bw4 s THR 49 Ca 0.19 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.54 1bw4 s THR 49 Cb 0.08 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.17 1bw4 s THR 49 CO -0.13 0.00 1.20 0.00 -2.21 0.00 0.00 174.62 173.48 1bw4 s ALA 50 N 2.85 2.58 -0.08 11.08 0.00 -1.23 -1.50 121.76 135.47 1bw4 s ALA 50 Ca -0.06 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.10 1bw4 s ALA 50 Cb -0.12 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 20.10 1bw4 s ALA 50 CO -0.19 -1.81 0.20 0.12 0.00 0.00 0.00 175.76 174.08 1bw4 s PHE 51 N -3.63 -0.23 -0.40 0.00 2.19 0.23 -2.89 117.98 113.24 1bw4 s PHE 51 Ca 0.64 0.58 0.08 0.00 0.33 0.00 0.00 56.93 58.56 1bw4 s PHE 51 Cb -0.10 0.04 0.24 0.00 -1.31 0.00 0.00 43.02 41.89 1bw4 s PHE 51 CO 0.50 -0.15 0.51 0.00 1.83 0.00 0.00 175.22 177.90 1bw4 s GLY 53 N -1.08 1.53 0.23 0.00 0.00 -1.26 -4.54 107.32 102.20 1bw4 s GLY 53 Ca 0.35 -1.50 -0.07 0.00 0.00 0.00 0.00 44.72 43.50 1bw4 s GLY 53 CO -0.12 -1.52 1.83 -0.56 0.00 0.00 0.00 173.10 172.73 1bw4 h PRO 54 N 3.50 0.84 -4.87 2.90 0.13 -2.02 -3.40 132.00 129.08 1bw4 h PRO 54 Ca -0.46 -0.05 -0.67 0.00 -0.87 0.00 0.00 66.00 63.94 1bw4 h PRO 54 Cb 1.20 -0.19 -0.29 0.00 0.13 0.00 0.00 31.00 31.84 1bw4 h PRO 54 CO 0.45 0.55 -0.70 0.00 -0.23 0.00 0.00 178.00 178.08 1bw4 s ALA 55 N -6.07 2.85 0.00 -0.56 0.00 -1.26 -4.89 121.76 111.83 1bw4 s ALA 55 Ca -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1bw4 s ALA 55 Cb 0.18 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.43 1bw4 s ALA 55 CO 0.78 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1bw4 n GLY 56 N 4.75 -1.38 3.56 0.00 0.00 -1.26 -4.53 105.19 106.33 1bw4 n GLY 56 Ca -0.16 0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 1bw4 n GLY 56 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bw4 s PRO 57 N 0.00 2.37 0.33 1.61 0.02 -1.26 -4.85 135.00 133.22 1bw4 s PRO 57 Ca 0.00 1.26 -0.01 0.00 0.02 0.00 0.00 61.00 62.27 1bw4 s PRO 57 Cb 0.00 -4.50 -0.01 0.00 0.02 0.00 0.00 34.50 30.01 1bw4 s PRO 57 CO 0.00 -2.99 0.42 0.50 -0.33 0.00 0.00 177.00 174.61 1bw4 s ARG 58 N 7.69 1.82 0.00 5.54 3.00 -1.26 -4.93 118.95 130.81 1bw4 s ARG 58 Ca 0.89 -1.76 0.00 0.00 -1.00 0.00 0.00 55.73 53.86 1bw4 s ARG 58 Cb -0.17 0.42 0.00 0.00 0.00 0.00 0.00 34.95 35.19 1bw4 s ARG 58 CO 0.26 -0.74 0.00 0.41 0.00 0.00 0.00 175.30 175.23 1bw4 n GLY 59 N -0.54 4.55 0.00 8.12 0.00 -1.26 -5.04 105.19 111.01 1bw4 n GLY 59 Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 -1.94 1.61 6.02 -1.26 -4.62 117.38 117.19 1bw4 n GLN 60 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 1bw4 n GLN 60 Cb 0.00 -0.11 -0.01 0.00 1.02 0.00 0.00 30.24 31.14 1bw4 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw4 n ALA 61 N -2.14 6.84 -0.02 -1.58 0.00 -1.26 -3.72 120.51 118.62 1bw4 n ALA 61 Ca 0.00 -4.04 -0.02 0.00 0.00 0.00 0.00 53.44 49.38 1bw4 n ALA 61 Cb 0.00 -2.83 -0.02 0.00 0.00 0.00 0.00 19.45 16.60 1bw4 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n ALA 62 N 1.96 1.92 -1.55 0.00 0.00 -1.26 -4.89 120.51 116.69 1bw4 n ALA 62 Ca 0.63 -0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.76 1bw4 n ALA 62 Cb 0.25 0.34 -0.09 0.00 0.00 0.00 0.00 19.45 19.95 1bw4 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n GLY 64 N 6.52 0.25 3.92 0.00 0.00 -1.26 -5.09 105.19 109.54 1bw4 n GLY 64 Ca 0.45 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.27 1bw4 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bw4 s LYS 65 N 0.00 2.84 0.39 1.61 1.02 0.40 -4.79 119.74 121.21 1bw4 s LYS 65 Ca 0.00 -1.23 0.08 0.00 0.02 0.00 0.00 55.97 54.84 1bw4 s LYS 65 Cb 0.00 -2.61 -0.06 0.00 -0.52 0.00 0.00 37.83 34.63 1bw4 s LYS 65 CO 0.00 0.00 0.06 0.00 -0.92 0.00 0.00 175.35 174.49 1bw4 s LEU 67 N -3.77 2.27 -0.13 0.00 0.20 0.10 -0.29 118.68 117.06 1bw4 s LEU 67 Ca 0.37 -0.84 -0.21 0.00 0.69 0.00 0.00 54.13 54.14 1bw4 s LEU 67 Cb 0.06 -1.28 -0.03 0.00 -0.43 0.00 0.00 46.19 44.50 1bw4 s LEU 67 CO 0.20 -0.12 0.60 -0.60 -0.29 0.00 0.00 176.35 176.14 1bw4 s ARG 68 N 1.37 4.32 -0.07 1.98 3.52 -0.04 0.07 118.95 130.10 1bw4 s ARG 68 Ca -0.00 0.64 0.05 0.00 -0.13 0.00 0.00 55.73 56.29 1bw4 s ARG 68 Cb -0.16 -3.50 -0.01 0.00 -1.56 0.00 0.00 34.95 29.73 1bw4 s ARG 68 CO -0.09 -0.03 -0.24 0.08 -0.81 0.00 0.00 175.30 174.22 1bw4 s VAL 69 N 1.18 2.15 0.03 7.11 1.01 0.44 -1.60 120.40 130.73 1bw4 s VAL 69 Ca 0.30 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1bw4 s VAL 69 Cb -0.16 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1bw4 s VAL 69 CO 0.13 0.57 -0.13 -0.89 0.00 0.00 0.00 175.10 174.77 1bw4 s THR 70 N -0.01 1.05 -0.58 3.92 2.01 -1.03 -0.38 115.64 120.62 1bw4 s THR 70 Ca -0.08 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 1bw4 s THR 70 Cb -0.15 -0.95 0.15 0.00 0.01 0.00 0.00 72.50 71.56 1bw4 s THR 70 CO 0.05 0.01 0.38 0.21 -0.69 0.00 0.00 174.62 174.58 1bw4 s ASN 71 N -1.06 5.12 0.28 3.53 2.47 0.84 -2.90 114.94 123.22 1bw4 s ASN 71 Ca 0.01 -2.74 0.11 0.00 0.42 0.00 0.00 52.86 50.66 1bw4 s ASN 71 Cb -0.08 -1.82 0.61 0.00 -1.45 0.00 0.00 41.25 38.51 1bw4 s ASN 71 CO 0.01 -0.38 1.23 -0.81 -3.72 0.00 0.00 177.10 173.43 1bw4 n PRO 72 N 3.61 0.08 0.00 0.43 -0.04 -1.26 -0.55 135.00 137.27 1bw4 n PRO 72 Ca 0.06 0.53 -0.05 0.00 -0.04 0.00 0.00 63.50 64.00 1bw4 n PRO 72 Cb 0.38 -2.04 -0.11 0.00 -0.04 0.00 0.00 33.50 31.69 1bw4 n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 h ALA 73 N 1.19 0.72 0.00 0.55 0.00 -1.95 -3.40 119.26 116.37 1bw4 h ALA 73 Ca 0.00 -1.18 -0.18 0.00 0.00 0.00 0.00 54.91 53.56 1bw4 h ALA 73 Cb 0.57 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1bw4 h ALA 73 CO 0.00 1.28 -1.66 0.25 0.00 0.00 0.00 179.25 179.12 1bw4 n THR 74 N -2.98 0.66 -0.03 0.00 -2.24 0.29 -4.99 114.28 104.99 1bw4 n THR 74 Ca -0.13 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1bw4 n THR 74 Cb 0.95 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1bw4 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw4 n GLY 75 N 2.57 0.37 3.78 3.38 0.00 0.21 -5.06 105.19 110.43 1bw4 n GLY 75 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.12 2.66 0.01 4.61 0.00 -1.25 -4.72 121.76 120.96 1bw4 s ALA 76 Ca 0.00 0.75 -0.09 0.00 0.00 0.00 0.00 51.96 52.61 1bw4 s ALA 76 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1bw4 s ALA 76 CO 0.00 -0.84 0.18 1.14 0.00 0.00 0.00 175.76 176.24 1bw4 s GLN 77 N -3.46 0.59 0.18 0.00 -2.07 -1.26 -0.11 119.66 113.52 1bw4 s GLN 77 Ca 0.71 -0.46 -0.05 0.00 -1.82 0.00 0.00 55.36 53.74 1bw4 s GLN 77 Cb -0.23 0.25 -0.02 0.00 -1.09 0.00 0.00 33.01 31.92 1bw4 s GLN 77 CO 0.30 -0.16 0.22 -1.50 -1.32 0.00 0.00 175.29 172.83 1bw4 s ILE 78 N -1.83 0.04 -0.20 3.63 1.10 0.48 -4.97 121.20 119.46 1bw4 s ILE 78 Ca -0.11 -1.70 0.01 0.00 -0.51 0.00 0.00 60.65 58.34 1bw4 s ILE 78 Cb -0.05 -2.15 0.04 0.00 0.15 0.00 0.00 42.46 40.46 1bw4 s ILE 78 CO -0.00 -0.19 -0.09 -0.89 -2.11 0.00 0.00 174.94 171.66 1bw4 s THR 79 N -4.05 1.54 0.38 4.00 2.01 -1.26 -0.42 115.64 117.84 1bw4 s THR 79 Ca 0.26 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 61.24 1bw4 s THR 79 Cb 0.05 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 1bw4 s THR 79 CO 0.06 0.13 0.67 0.00 -0.69 0.00 0.00 174.62 174.79 1bw4 s ALA 80 N 1.44 3.51 -0.66 7.40 0.00 0.11 -4.84 121.76 128.71 1bw4 s ALA 80 Ca -0.01 -0.51 -0.16 0.00 0.00 0.00 0.00 51.96 51.27 1bw4 s ALA 80 Cb -0.16 -2.45 0.15 0.00 0.00 0.00 0.00 23.12 20.66 1bw4 s ALA 80 CO -0.08 -0.03 0.68 1.03 0.00 0.00 0.00 175.76 177.36 1bw4 s ARG 81 N -4.08 3.22 -0.70 0.00 3.00 -1.25 0.01 118.95 119.15 1bw4 s ARG 81 Ca 0.46 -1.82 -0.30 0.00 0.00 0.00 0.00 55.73 54.07 1bw4 s ARG 81 Cb -0.10 -4.37 -0.15 0.00 0.00 0.00 0.00 34.95 30.33 1bw4 s ARG 81 CO 0.35 -1.41 2.51 -0.89 0.00 0.00 0.00 175.30 175.87 1bw4 n ILE 82 N 4.99 -0.01 0.02 1.52 5.41 -0.09 0.61 119.36 131.81 1bw4 n ILE 82 Ca -0.02 -0.36 -0.02 0.00 1.00 0.00 0.00 62.75 63.35 1bw4 n ILE 82 Cb 0.43 -1.58 -0.01 0.00 -0.71 0.00 0.00 39.64 37.78 1bw4 n ILE 82 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1bw4 n VAL 83 N 7.65 0.90 -3.01 1.39 0.31 -0.56 -4.08 118.33 120.92 1bw4 n VAL 83 Ca 0.51 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 65.08 1bw4 n VAL 83 Cb 0.26 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1bw4 n VAL 83 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1bw4 n ASP 84 N -3.44 1.55 -4.37 4.52 5.75 -1.18 -4.31 116.55 115.07 1bw4 n ASP 84 Ca -0.03 -0.01 -0.27 0.00 -0.01 0.00 0.00 54.79 54.47 1bw4 n ASP 84 Cb 0.21 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.18 1bw4 n ASP 84 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1bw4 s GLN 85 N 0.97 1.35 0.50 0.11 0.74 -1.26 0.74 119.66 122.81 1bw4 s GLN 85 Ca 0.00 -1.33 0.05 0.00 0.05 0.00 0.00 55.36 54.12 1bw4 s GLN 85 Cb 0.00 -1.76 0.09 0.00 1.10 0.00 0.00 33.01 32.44 1bw4 s GLN 85 CO 0.00 0.41 0.70 0.00 -0.55 0.00 0.00 175.29 175.85 1bw4 n ALA 87 N -2.65 0.63 -3.28 0.00 0.00 -1.26 -4.88 120.51 109.07 1bw4 n ALA 87 Ca -0.12 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1bw4 n ALA 87 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1bw4 n ALA 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw4 n ASN 88 N -4.54 0.94 -3.57 0.00 2.04 -1.26 -5.11 115.26 103.77 1bw4 n ASN 88 Ca -0.14 -0.81 -0.29 0.00 -0.44 0.00 0.00 54.58 52.90 1bw4 n ASN 88 Cb 0.41 0.00 0.27 0.00 -2.53 0.00 0.00 39.78 37.93 1bw4 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1bw4 n GLY 89 N 5.00 -3.36 0.00 4.83 0.00 -1.26 -4.68 105.19 105.73 1bw4 n GLY 89 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 1.80 3.20 0.00 -0.02 0.00 -1.26 -4.70 105.19 104.21 1bw4 n GLY 90 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1bw4 n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bw4 n LEU 91 N 0.00 0.00 0.00 0.99 7.94 -1.21 0.10 117.00 124.82 1bw4 n LEU 91 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 1bw4 n LEU 91 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 1bw4 n LEU 91 CO 0.00 0.00 -0.02 -0.90 -1.11 0.00 0.00 177.39 175.36 1bw4 n ASP 92 N 0.00 -0.18 -3.51 1.96 5.68 -1.10 -0.35 116.55 119.06 1bw4 n ASP 92 Ca 0.00 -1.51 -0.27 0.00 -0.50 0.00 0.00 54.79 52.51 1bw4 n ASP 92 Cb 0.00 0.41 -0.09 0.00 -1.14 0.00 0.00 41.12 40.30 1bw4 n ASP 92 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1bw4 n LEU 93 N 0.00 3.51 -4.97 -2.12 0.00 -1.14 0.41 117.00 112.69 1bw4 n LEU 93 Ca 0.02 -5.38 -0.23 0.00 0.00 0.00 0.00 56.01 50.42 1bw4 n LEU 93 Cb 0.14 -0.64 0.08 0.00 0.00 0.00 0.00 43.42 43.00 1bw4 n LEU 93 CO 0.07 2.00 0.52 -0.62 0.00 0.00 0.00 177.39 179.36 1bw4 s ASP 94 N -2.24 4.72 -0.27 1.96 2.15 -1.05 -3.49 116.67 118.44 1bw4 s ASP 94 Ca 0.37 -0.02 0.11 0.00 0.43 0.00 0.00 52.55 53.44 1bw4 s ASP 94 Cb 0.11 -0.58 0.47 0.00 -0.30 0.00 0.00 42.92 42.62 1bw4 s ASP 94 CO -0.04 -1.59 1.17 1.87 -0.17 0.00 0.00 175.17 176.40 1bw4 n TRP 95 N -2.73 2.21 -0.56 -5.34 -0.00 -1.26 -4.16 117.44 105.60 1bw4 n TRP 95 Ca 0.11 -2.13 0.00 0.00 -0.00 0.00 0.00 57.50 55.48 1bw4 n TRP 95 Cb 0.60 -0.31 0.00 0.00 -0.00 0.00 0.00 31.31 31.61 1bw4 n TRP 95 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1bw4 n ASP 96 N -0.68 -2.83 -0.23 5.87 9.92 -1.26 -4.69 116.55 122.64 1bw4 n ASP 96 Ca 0.33 0.00 0.30 0.00 -0.53 0.00 0.00 54.79 54.89 1bw4 n ASP 96 Cb 0.92 -2.21 0.52 0.00 -0.64 0.00 0.00 41.12 39.71 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1bw4 h THR 97 N 0.00 0.05 0.00 -3.53 1.35 -1.96 0.64 112.91 109.47 1bw4 h THR 97 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1bw4 h THR 97 Cb 0.47 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.98 1bw4 h THR 97 CO 0.00 0.00 -0.15 0.58 -0.25 0.00 0.00 175.52 175.70 1bw4 h VAL 98 N 0.00 0.00 -0.15 6.82 2.07 -1.99 -3.35 116.25 119.66 1bw4 h VAL 98 Ca 0.51 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 1bw4 h VAL 98 Cb 2.80 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1bw4 h VAL 98 CO -0.01 0.00 -0.27 0.15 0.02 0.00 0.00 177.57 177.47 1bw4 h PHE 99 N -0.99 0.55 0.00 1.57 3.57 -0.50 0.12 116.94 121.26 1bw4 h PHE 99 Ca 0.00 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1bw4 h PHE 99 Cb 0.15 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1bw4 h PHE 99 CO -0.06 0.89 0.00 0.25 -2.23 0.00 0.00 178.31 177.16 1bw4 n THR 100 N -4.42 0.13 -0.04 4.41 -2.24 0.17 -2.25 114.28 110.05 1bw4 n THR 100 Ca -0.06 0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.66 1bw4 n THR 100 Cb 0.45 -0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 67.87 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 -1.06 0.18 0.00 -0.78 4.76 -1.16 -4.75 118.16 115.34 1bw4 n LYS 101 Ca 0.11 0.08 0.14 0.00 -2.87 0.00 0.00 58.31 55.76 1bw4 n LYS 101 Cb 0.07 -0.80 0.55 0.00 -1.84 0.00 0.00 35.03 33.01 1bw4 n LYS 101 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1bw4 n ILE 102 N -3.43 0.00 -3.33 -0.18 -6.64 0.39 -4.57 119.36 101.60 1bw4 n ILE 102 Ca -0.15 -0.02 -0.47 0.00 -1.77 0.00 0.00 62.75 60.34 1bw4 n ILE 102 Cb 0.56 -0.20 -0.02 0.00 -1.44 0.00 0.00 39.64 38.54 1bw4 n ILE 102 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 1bw4 s ASP 103 N -2.79 6.77 0.59 7.28 1.11 -0.95 -4.80 116.67 123.88 1bw4 s ASP 103 Ca 0.20 -2.72 0.31 0.00 0.18 0.00 0.00 52.55 50.51 1bw4 s ASP 103 Cb 0.19 -2.21 1.26 0.00 1.07 0.00 0.00 42.92 43.23 1bw4 s ASP 103 CO 0.54 -0.56 1.58 0.71 1.18 0.00 0.00 175.17 178.62 1bw4 h THR 104 N 4.75 0.16 0.00 -1.27 1.35 -1.88 -3.37 112.91 112.65 1bw4 h THR 104 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1bw4 h THR 104 Cb 1.04 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1bw4 h THR 104 CO 0.76 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.57 1bw4 n ASN 105 N -3.55 0.00 -0.25 5.36 2.04 -1.26 -5.10 115.26 112.50 1bw4 n ASN 105 Ca 0.20 0.00 -0.00 0.00 -0.44 0.00 0.00 54.58 54.34 1bw4 n ASN 105 Cb 1.25 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 38.50 1bw4 n ASN 105 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1bw4 n GLY 106 N 4.07 -0.23 0.27 4.83 0.00 -1.26 -5.01 105.19 107.86 1bw4 n GLY 106 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1bw4 n GLY 106 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1bw4 h ILE 107 N 0.06 0.35 -0.78 -0.61 1.08 -1.99 -0.45 117.51 115.17 1bw4 h ILE 107 Ca -0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 1bw4 h ILE 107 Cb 0.25 0.35 -0.12 0.00 -3.07 0.00 0.00 36.82 34.23 1bw4 h ILE 107 CO -0.00 0.00 -0.47 1.23 -0.69 0.00 0.00 178.15 178.22 1bw4 h GLY 108 N -0.10 -0.45 0.11 5.37 0.00 -1.95 0.21 103.07 106.26 1bw4 h GLY 108 Ca 0.24 0.62 0.06 0.00 0.00 0.00 0.00 47.33 48.25 1bw4 h GLY 108 CO -0.57 -0.12 -0.28 -1.82 0.00 0.00 0.00 176.54 173.75 1bw4 h TYR 109 N -0.12 -0.76 -0.81 5.60 3.20 -1.45 0.23 116.97 122.85 1bw4 h TYR 109 Ca 0.21 0.04 0.24 0.00 3.14 0.00 0.00 58.73 62.36 1bw4 h TYR 109 Cb 0.54 0.37 -0.15 0.00 1.54 0.00 0.00 36.73 39.02 1bw4 h TYR 109 CO -0.83 -0.36 0.07 0.94 -1.64 0.00 0.00 178.16 176.34 1bw4 n GLN 110 N -5.39 -0.06 -0.07 1.82 -0.06 0.70 -2.27 117.38 112.04 1bw4 n GLN 110 Ca -0.01 1.21 -0.06 0.00 -2.00 0.00 0.00 57.00 56.14 1bw4 n GLN 110 Cb 0.31 -1.95 -0.12 0.00 -4.06 0.00 0.00 30.24 24.42 1bw4 n GLN 110 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1bw4 n GLN 111 N -5.12 1.38 0.00 3.69 7.27 -0.79 -5.05 117.38 118.76 1bw4 n GLN 111 Ca 0.21 -0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.25 1bw4 n GLN 111 Cb 0.68 -1.39 0.00 0.00 2.41 0.00 0.00 30.24 31.94 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bw4 n GLY 112 N 2.00 3.04 3.17 1.69 0.00 0.73 -5.09 105.19 110.72 1bw4 n GLY 112 Ca -0.22 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.14 0.72 0.07 1.61 -3.43 -1.24 -3.83 115.29 109.06 1bw4 s HIS 113 Ca 0.00 -1.13 0.01 0.00 -0.80 0.00 0.00 55.06 53.15 1bw4 s HIS 113 Cb 0.00 -0.40 -0.03 0.00 -1.43 0.00 0.00 32.58 30.72 1bw4 s HIS 113 CO 0.00 -0.52 -0.06 -1.17 -2.00 0.00 0.00 174.74 170.99 1bw4 s LEU 114 N -3.01 2.41 -0.16 5.38 2.96 -0.04 -4.71 118.68 121.52 1bw4 s LEU 114 Ca 0.20 -0.83 -0.07 0.00 -0.22 0.00 0.00 54.13 53.21 1bw4 s LEU 114 Cb 0.07 -0.04 -0.04 0.00 0.50 0.00 0.00 46.19 46.68 1bw4 s LEU 114 CO -0.01 -0.40 0.07 0.21 -1.32 0.00 0.00 176.35 174.90 1bw4 s ASN 115 N -2.47 5.72 0.22 3.68 3.04 -1.26 -0.34 114.94 123.53 1bw4 s ASN 115 Ca 0.02 0.17 -0.04 0.00 0.04 0.00 0.00 52.86 53.06 1bw4 s ASN 115 Cb 0.00 -1.90 0.01 0.00 -1.54 0.00 0.00 41.25 37.82 1bw4 s ASN 115 CO -0.04 0.25 0.36 1.33 -3.04 0.00 0.00 177.10 175.96 1bw4 n VAL 116 N 3.02 0.00 -4.87 -5.21 0.24 -0.78 -4.71 118.33 106.02 1bw4 n VAL 116 Ca -0.17 -0.93 -0.28 0.00 -2.04 0.00 0.00 64.34 60.91 1bw4 n VAL 116 Cb 0.53 0.65 -0.15 0.00 -1.47 0.00 0.00 33.84 33.40 1bw4 n VAL 116 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1bw4 s ASN 117 N -2.31 2.79 -0.05 -1.34 0.01 -1.14 -0.86 114.94 112.05 1bw4 s ASN 117 Ca 0.15 -0.52 -0.02 0.00 -0.71 0.00 0.00 52.86 51.76 1bw4 s ASN 117 Cb -0.01 -0.26 0.04 0.00 0.41 0.00 0.00 41.25 41.42 1bw4 s ASN 117 CO 0.11 0.23 0.09 -0.72 -1.51 0.00 0.00 177.10 175.30 1bw4 s TYR 118 N -0.74 -0.08 -0.03 2.20 -0.85 -0.92 -2.46 117.35 114.48 1bw4 s TYR 118 Ca 0.09 0.33 0.04 0.00 -0.52 0.00 0.00 57.07 57.02 1bw4 s TYR 118 Cb -0.09 -0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.07 1bw4 s TYR 118 CO 0.01 -0.14 -0.16 -0.65 -1.52 0.00 0.00 175.55 173.10 1bw4 s GLN 119 N 1.21 1.49 0.04 -3.49 -1.52 -0.62 -2.31 119.66 114.46 1bw4 s GLN 119 Ca -0.08 -0.56 -0.30 0.00 -1.95 0.00 0.00 55.36 52.47 1bw4 s GLN 119 Cb -0.12 -1.36 -0.07 0.00 -0.22 0.00 0.00 33.01 31.24 1bw4 s GLN 119 CO -0.05 0.27 1.58 -0.06 -0.25 0.00 0.00 175.29 176.78 1bw4 s PHE 120 N -0.10 2.52 0.23 0.91 0.40 -0.13 -0.86 117.98 120.96 1bw4 s PHE 120 Ca 0.00 0.45 0.01 0.00 -0.60 0.00 0.00 56.93 56.79 1bw4 s PHE 120 Cb -0.09 -3.88 -0.05 0.00 0.51 0.00 0.00 43.02 39.51 1bw4 s PHE 120 CO 0.01 -3.47 0.09 0.08 0.70 0.00 0.00 175.22 172.63 1bw4 s VAL 121 N 2.63 0.44 0.43 -0.44 1.01 0.61 -4.88 120.40 120.19 1bw4 s VAL 121 Ca 0.71 -1.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.66 1bw4 s VAL 121 Cb -0.37 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1bw4 s VAL 121 CO 0.30 -0.10 0.70 -0.62 0.00 0.00 0.00 175.10 175.39 1bw4 s ASP 122 N -3.25 6.30 -0.14 3.32 2.15 -1.26 -0.18 116.67 123.61 1bw4 s ASP 122 Ca 0.35 0.79 -0.11 0.00 0.43 0.00 0.00 52.55 54.01 1bw4 s ASP 122 Cb 0.07 -2.18 -0.24 0.00 -0.30 0.00 0.00 42.92 40.27 1bw4 s ASP 122 CO 0.11 -0.46 0.33 0.00 -0.17 0.00 0.00 175.17 174.98 1bw4 n ARG 124 N -3.75 -0.64 0.00 0.00 0.63 -1.26 -5.12 116.66 106.53 1bw4 n ARG 124 Ca -0.32 -0.13 0.00 0.00 -0.92 0.00 0.00 57.85 56.48 1bw4 n ARG 124 Cb 0.95 -1.32 0.00 0.00 0.45 0.00 0.00 32.46 32.54 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65