#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 1.79 -0.18 3.49 -0.44 -1.26 -2.23 119.66 120.84 1bw4 s GLN 2 Ca 0.00 -0.44 0.00 0.00 -2.50 0.00 0.00 55.36 52.42 1bw4 s GLN 2 Cb 0.00 -1.47 0.04 0.00 -1.64 0.00 0.00 33.01 29.94 1bw4 s GLN 2 CO 0.00 0.03 -0.11 0.00 0.50 0.00 0.00 175.29 175.72 1bw4 s ALA 3 N 0.66 1.86 0.51 1.58 0.00 -0.86 -5.06 121.76 120.45 1bw4 s ALA 3 Ca -0.15 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.79 1bw4 s ALA 3 Cb -0.16 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 1bw4 s ALA 3 CO 0.04 -0.67 0.03 0.54 0.00 0.00 0.00 175.76 175.70 1bw4 s ASN 4 N 1.47 3.93 -1.57 0.00 4.22 -1.26 -0.83 114.94 120.89 1bw4 s ASN 4 Ca 0.01 -1.71 -0.05 0.00 -2.14 0.00 0.00 52.86 48.97 1bw4 s ASN 4 Cb -0.15 0.65 0.05 0.00 1.28 0.00 0.00 41.25 43.09 1bw4 s ASN 4 CO -0.09 -0.93 0.13 -0.67 -2.04 0.00 0.00 177.10 173.50 1bw4 n ASP 5 N -1.34 0.34 -4.47 3.54 2.03 -1.26 -4.88 116.55 110.51 1bw4 n ASP 5 Ca -0.19 -1.23 -0.43 0.00 0.52 0.00 0.00 54.79 53.46 1bw4 n ASP 5 Cb 0.67 -1.54 -0.10 0.00 -0.72 0.00 0.00 41.12 39.43 1bw4 n ASP 5 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1bw4 s VAL 6 N -4.09 5.22 -0.94 5.18 1.01 -1.03 -4.95 120.40 120.80 1bw4 s VAL 6 Ca 0.18 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1bw4 s VAL 6 Cb -0.10 -3.94 -0.22 0.00 0.00 0.00 0.00 36.38 32.11 1bw4 s VAL 6 CO 0.97 -0.31 1.99 0.54 0.00 0.00 0.00 175.10 178.29 1bw4 n ARG 7 N 5.27 0.49 -2.83 2.72 1.74 -1.26 -1.43 116.66 121.36 1bw4 n ARG 7 Ca -0.10 -1.79 -0.42 0.00 -0.77 0.00 0.00 57.85 54.77 1bw4 n ARG 7 Cb 0.47 -3.64 -0.04 0.00 -1.02 0.00 0.00 32.46 28.23 1bw4 n ARG 7 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bw4 s ALA 8 N 13.92 3.55 0.00 7.54 0.00 0.15 -4.85 121.76 142.07 1bw4 s ALA 8 Ca 0.76 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1bw4 s ALA 8 Cb -0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1bw4 s ALA 8 CO 0.20 -1.22 0.00 0.25 0.00 0.00 0.00 175.76 174.99 1bw4 n THR 9 N 5.56 0.00 -2.77 0.00 -2.24 -1.26 -0.87 114.28 112.70 1bw4 n THR 9 Ca 0.07 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.80 1bw4 n THR 9 Cb 0.48 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1bw4 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bw4 n TYR 10 N 0.00 -3.80 -2.19 4.78 0.18 -1.26 -4.58 117.16 110.29 1bw4 n TYR 10 Ca 0.00 -1.40 -0.42 0.00 1.88 0.00 0.00 57.90 57.96 1bw4 n TYR 10 Cb 0.00 1.48 0.00 0.00 -0.38 0.00 0.00 39.34 40.44 1bw4 n TYR 10 CO 0.00 0.00 0.00 1.58 -2.08 0.00 0.00 176.86 176.36 1bw4 n HIS 11 N 2.90 2.96 -2.59 -3.48 -0.00 -1.08 -4.52 115.22 109.41 1bw4 n HIS 11 Ca 0.18 -2.82 -0.41 0.00 0.46 0.00 0.00 57.72 55.12 1bw4 n HIS 11 Cb 0.56 -2.03 -0.03 0.00 -0.12 0.00 0.00 29.99 28.37 1bw4 n HIS 11 CO 0.00 0.00 0.00 1.52 0.46 0.00 0.00 176.34 178.32 1bw4 s TYR 12 N 0.67 2.53 0.30 1.57 -0.85 -1.24 -2.66 117.35 117.68 1bw4 s TYR 12 Ca 0.43 -0.73 -0.29 0.00 -0.52 0.00 0.00 57.07 55.95 1bw4 s TYR 12 Cb 0.11 -4.65 -0.13 0.00 0.38 0.00 0.00 41.96 37.68 1bw4 s TYR 12 CO -0.02 -1.93 1.36 0.98 -1.52 0.00 0.00 175.55 174.42 1bw4 n TYR 13 N 8.79 2.31 -1.82 -3.49 9.36 0.11 -4.56 117.16 127.86 1bw4 n TYR 13 Ca 0.26 0.48 -0.43 0.00 3.32 0.00 0.00 57.90 61.54 1bw4 n TYR 13 Cb 0.50 -2.45 -0.03 0.00 -0.63 0.00 0.00 39.34 36.74 1bw4 n TYR 13 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1bw4 s ARG 14 N -1.27 3.77 0.00 2.98 3.00 -1.26 -2.41 118.95 123.77 1bw4 s ARG 14 Ca 0.60 2.13 0.00 0.00 0.00 0.00 0.00 55.73 58.46 1bw4 s ARG 14 Cb -0.59 -4.16 0.00 0.00 0.00 0.00 0.00 34.95 30.20 1bw4 s ARG 14 CO 0.57 -1.35 0.00 -0.35 0.00 0.00 0.00 175.30 174.17 1bw4 n PRO 15 N 7.86 0.00 0.00 3.54 -0.04 -1.26 -4.61 135.00 140.49 1bw4 n PRO 15 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1bw4 n PRO 15 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 0.76 -0.18 0.55 0.00 -1.26 -0.74 120.51 116.64 1bw4 n ALA 16 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1bw4 n ALA 16 Cb 0.00 -0.59 0.09 0.00 0.00 0.00 0.00 19.45 18.95 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 0.23 -0.90 0.00 5.75 -2.00 0.46 115.11 118.65 1bw4 h GLN 17 Ca 0.00 -0.01 -0.60 0.00 -0.15 0.00 0.00 58.65 57.88 1bw4 h GLN 17 Cb 0.17 -0.05 -0.38 0.00 1.07 0.00 0.00 27.48 28.29 1bw4 h GLN 17 CO 0.00 0.15 -0.19 -1.71 -2.65 0.00 0.00 178.83 174.43 1bw4 n ASN 18 N -5.13 5.93 -4.29 -0.69 5.15 -1.09 -4.86 115.26 110.28 1bw4 n ASN 18 Ca 0.07 -3.76 -0.36 0.00 -0.60 0.00 0.00 54.58 49.93 1bw4 n ASN 18 Cb 0.29 -0.58 -0.08 0.00 -0.53 0.00 0.00 39.78 38.87 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 -0.77 -0.75 -3.13 1.20 5.15 0.16 -0.40 115.26 116.71 1bw4 n ASN 19 Ca 0.50 -1.18 -0.20 0.00 -0.60 0.00 0.00 54.58 53.11 1bw4 n ASN 19 Cb 0.83 -1.49 -0.04 0.00 -0.53 0.00 0.00 39.78 38.55 1bw4 n ASN 19 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 1bw4 n TRP 20 N -4.02 -0.60 -1.95 1.20 2.14 0.08 -4.76 117.44 109.54 1bw4 n TRP 20 Ca -0.04 0.34 -0.37 0.00 2.07 0.00 0.00 57.50 59.50 1bw4 n TRP 20 Cb 0.51 -1.06 -0.03 0.00 -0.81 0.00 0.00 31.31 29.92 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 -2.53 5.09 0.00 -0.67 2.15 0.46 -4.74 116.67 116.43 1bw4 s ASP 21 Ca 0.32 0.37 0.00 0.00 0.43 0.00 0.00 52.55 53.66 1bw4 s ASP 21 Cb -0.18 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1bw4 s ASP 21 CO 0.51 -2.53 0.90 0.18 -0.17 0.00 0.00 175.17 174.07 1bw4 n LEU 22 N 13.51 0.00 0.06 -1.34 4.77 -1.26 -0.24 117.00 132.51 1bw4 n LEU 22 Ca 0.25 0.40 0.12 0.00 -0.03 0.00 0.00 56.01 56.75 1bw4 n LEU 22 Cb 0.52 -0.40 0.13 0.00 -2.33 0.00 0.00 43.42 41.34 1bw4 n LEU 22 CO 0.70 -0.40 0.27 1.23 -1.33 0.00 0.00 177.39 177.86 1bw4 h GLY 23 N 0.00 0.00 -3.98 -0.72 0.00 -1.92 -1.64 103.07 94.82 1bw4 h GLY 23 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1bw4 h GLY 23 CO 0.00 0.00 0.61 0.00 0.00 0.00 0.00 176.54 177.15 1bw4 s ALA 24 N -3.19 3.49 0.11 3.60 0.00 0.67 -4.69 121.76 121.75 1bw4 s ALA 24 Ca 0.05 1.15 -0.23 0.00 0.00 0.00 0.00 51.96 52.93 1bw4 s ALA 24 Cb 0.13 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 1bw4 s ALA 24 CO 0.74 -0.52 1.40 -1.00 0.00 0.00 0.00 175.76 176.37 1bw4 h PRO 25 N 4.07 -0.13 0.00 0.00 0.13 -1.91 0.12 132.00 134.28 1bw4 h PRO 25 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1bw4 h PRO 25 Cb 1.22 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1bw4 h PRO 25 CO 0.69 -0.09 0.01 0.00 -0.23 0.00 0.00 178.00 178.38 1bw4 n ALA 26 N -3.09 1.23 0.02 -0.56 0.00 -1.26 -2.99 120.51 113.86 1bw4 n ALA 26 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1bw4 n ALA 26 Cb 0.22 -0.84 -0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.96 0.88 -2.41 0.00 0.31 0.24 -5.06 118.33 111.34 1bw4 n VAL 27 Ca 0.00 0.28 -0.19 0.00 -0.01 0.00 0.00 64.34 64.42 1bw4 n VAL 27 Cb 0.01 -1.49 0.02 0.00 -0.91 0.00 0.00 33.84 31.47 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 -3.27 -2.75 -4.88 4.52 3.41 -0.20 -4.91 113.62 105.53 1bw4 n SER 28 Ca -0.01 -0.15 -0.31 0.00 -0.26 0.00 0.00 58.87 58.15 1bw4 n SER 28 Cb 0.04 -0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 63.13 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 -0.99 3.49 0.02 7.33 0.00 -0.64 -4.99 121.76 125.98 1bw4 s ALA 29 Ca 0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 1bw4 s ALA 29 Cb -0.02 -2.52 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 1bw4 s ALA 29 CO 0.45 0.29 0.59 0.98 0.00 0.00 0.00 175.76 178.08 1bw4 n TYR 30 N -0.64 -0.06 0.99 0.00 4.19 -1.26 -0.05 117.16 120.33 1bw4 n TYR 30 Ca 0.01 0.17 0.05 0.00 3.31 0.00 0.00 57.90 61.43 1bw4 n TYR 30 Cb 0.53 -0.33 0.13 0.00 0.49 0.00 0.00 39.34 40.16 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 3.48 -0.14 0.00 0.00 0.00 -0.78 0.51 119.26 122.34 1bw4 h ALA 32 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bw4 h ALA 32 Cb 0.46 0.98 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1bw4 h ALA 32 CO 0.02 -0.74 0.23 1.15 0.00 0.00 0.00 179.25 179.90 1bw4 h THR 33 N -0.12 0.00 0.00 0.00 2.02 -1.78 0.14 112.91 113.17 1bw4 h THR 33 Ca 0.24 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.32 1bw4 h THR 33 Cb 0.56 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1bw4 h THR 33 CO -0.80 0.00 -1.37 0.79 0.37 0.00 0.00 175.52 174.50 1bw4 n TRP 34 N -2.86 0.00 -0.12 3.16 8.01 0.59 -4.83 117.44 121.39 1bw4 n TRP 34 Ca -0.02 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.02 1bw4 n TRP 34 Cb 0.28 -0.26 -0.13 0.00 -2.01 0.00 0.00 31.31 29.18 1bw4 n TRP 34 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1bw4 n ASP 35 N -2.50 1.31 -0.33 -0.99 9.92 0.15 -4.42 116.55 119.69 1bw4 n ASP 35 Ca -0.11 -0.09 0.26 0.00 -0.53 0.00 0.00 54.79 54.32 1bw4 n ASP 35 Cb 0.64 0.08 0.56 0.00 -0.64 0.00 0.00 41.12 41.76 1bw4 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw4 h ALA 36 N 0.34 2.41 0.00 2.24 0.00 -0.78 0.33 119.26 123.81 1bw4 h ALA 36 Ca -0.57 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1bw4 h ALA 36 Cb 2.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1bw4 h ALA 36 CO -0.05 -0.81 0.00 -1.13 0.00 0.00 0.00 179.25 177.26 1bw4 n SER 37 N -4.55 0.00 -4.80 0.00 3.41 -1.26 -4.76 113.62 101.65 1bw4 n SER 37 Ca 0.26 -0.87 -0.39 0.00 -0.26 0.00 0.00 58.87 57.61 1bw4 n SER 37 Cb 0.97 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.86 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 -2.00 4.18 0.24 4.33 1.02 0.12 -5.00 119.74 122.62 1bw4 s LYS 38 Ca 0.23 0.68 -0.29 0.00 0.02 0.00 0.00 55.97 56.61 1bw4 s LYS 38 Cb 0.11 -3.26 -0.16 0.00 -0.52 0.00 0.00 37.83 34.00 1bw4 s LYS 38 CO 0.18 0.58 0.80 -0.35 -0.92 0.00 0.00 175.35 175.63 1bw4 n PRO 39 N 1.99 0.70 -0.29 -1.68 -0.04 -1.26 -4.75 135.00 129.67 1bw4 n PRO 39 Ca -0.10 0.25 0.23 0.00 -0.04 0.00 0.00 63.50 63.84 1bw4 n PRO 39 Cb 0.51 -1.46 0.55 0.00 -0.04 0.00 0.00 33.50 33.06 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 1.63 0.36 -0.32 1.53 4.07 -1.94 -2.73 115.31 117.91 1bw4 h LEU 40 Ca -0.35 0.06 0.04 0.00 0.08 0.00 0.00 57.88 57.70 1bw4 h LEU 40 Cb 1.39 -0.00 -0.06 0.00 1.08 0.00 0.00 40.66 43.07 1bw4 h LEU 40 CO 0.60 0.10 -0.37 -1.28 -1.08 0.00 0.00 178.44 176.40 1bw4 h SER 41 N 0.33 -1.25 -0.30 -0.43 0.87 -1.99 0.18 113.55 110.97 1bw4 h SER 41 Ca 0.54 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 61.27 1bw4 h SER 41 Cb 1.50 0.52 -0.02 0.00 -0.44 0.00 0.00 62.40 63.96 1bw4 h SER 41 CO -0.21 -0.25 0.20 -0.25 -0.53 0.00 0.00 176.83 175.79 1bw4 h TRP 42 N -0.23 0.37 -0.41 2.24 7.01 -1.83 0.53 115.95 123.63 1bw4 h TRP 42 Ca 0.05 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.13 1bw4 h TRP 42 Cb 0.38 -0.12 -0.09 0.00 -2.10 0.00 0.00 29.16 27.22 1bw4 h TRP 42 CO -0.72 0.23 -0.42 0.00 -2.79 0.00 0.00 178.44 174.74 1bw4 h ARG 43 N 0.40 -0.31 -0.02 2.65 3.08 -1.28 -2.58 114.38 116.33 1bw4 h ARG 43 Ca 0.11 0.02 -0.18 0.00 0.07 0.00 0.00 59.98 60.00 1bw4 h ARG 43 Cb -0.04 0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.09 1bw4 h ARG 43 CO -0.03 -0.21 -0.69 0.66 -1.07 0.00 0.00 179.97 178.64 1bw4 h SER 44 N -0.32 0.64 -0.61 7.04 4.64 -0.57 -3.36 113.55 121.01 1bw4 h SER 44 Ca 0.14 -0.74 0.08 0.00 -0.47 0.00 0.00 61.79 60.80 1bw4 h SER 44 Cb 0.58 -0.19 -0.09 0.00 -0.31 0.00 0.00 62.40 62.39 1bw4 h SER 44 CO -0.57 1.29 -0.29 1.17 -0.87 0.00 0.00 176.83 177.56 1bw4 n LYS 45 N -4.13 -0.19 -4.14 4.77 4.81 0.18 -4.30 118.16 115.16 1bw4 n LYS 45 Ca -0.10 0.94 -0.30 0.00 -0.87 0.00 0.00 58.31 57.98 1bw4 n LYS 45 Cb 0.71 -1.39 -0.08 0.00 0.02 0.00 0.00 35.03 34.29 1bw4 n LYS 45 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1bw4 s TYR 46 N -5.48 2.97 0.00 5.64 2.02 -1.06 -5.08 117.35 116.36 1bw4 s TYR 46 Ca -0.08 -0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 1bw4 s TYR 46 Cb 0.10 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 40.14 1bw4 s TYR 46 CO 0.42 0.48 0.00 0.41 -1.57 0.00 0.00 175.55 175.29 1bw4 n GLY 47 N 0.52 0.00 0.72 0.71 0.00 -1.26 -4.70 105.19 101.19 1bw4 n GLY 47 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1bw4 n GLY 47 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1bw4 n TRP 48 N 0.00 0.00 -2.24 1.61 4.27 -0.53 -4.66 117.44 115.89 1bw4 n TRP 48 Ca 0.00 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.29 1bw4 n TRP 48 Cb 0.00 -0.58 -0.02 0.00 -1.36 0.00 0.00 31.31 29.35 1bw4 n TRP 48 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 1bw4 s THR 49 N -2.43 4.56 0.84 -1.67 -1.32 0.31 -4.27 115.64 111.65 1bw4 s THR 49 Ca 0.00 1.11 -0.13 0.00 -1.21 0.00 0.00 61.69 61.47 1bw4 s THR 49 Cb 0.00 -3.75 0.10 0.00 -1.51 0.00 0.00 72.50 67.34 1bw4 s THR 49 CO 0.00 -0.81 1.20 0.00 -2.21 0.00 0.00 174.62 172.80 1bw4 s ALA 50 N -2.77 2.53 -0.13 11.08 0.00 -1.25 0.58 121.76 131.80 1bw4 s ALA 50 Ca 0.58 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.76 1bw4 s ALA 50 Cb -0.10 -2.93 0.06 0.00 0.00 0.00 0.00 23.12 20.14 1bw4 s ALA 50 CO 0.38 -1.84 0.26 0.12 0.00 0.00 0.00 175.76 174.68 1bw4 s PHE 51 N -3.61 -0.41 0.00 0.00 2.19 -0.77 -2.73 117.98 112.65 1bw4 s PHE 51 Ca 0.64 0.95 0.00 0.00 0.33 0.00 0.00 56.93 58.85 1bw4 s PHE 51 Cb -0.10 -0.04 0.00 0.00 -1.31 0.00 0.00 43.02 41.57 1bw4 s PHE 51 CO 0.50 -0.34 0.00 0.00 1.83 0.00 0.00 175.22 177.20 1bw4 n GLY 53 N 5.00 -0.53 3.28 0.00 0.00 -1.25 -4.60 105.19 107.08 1bw4 n GLY 53 Ca 0.00 0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.71 0.00 -3.40 1.61 -0.04 -1.26 -4.85 135.00 124.34 1bw4 n PRO 54 Ca -0.10 -0.77 -0.44 0.00 -0.04 0.00 0.00 63.50 62.16 1bw4 n PRO 54 Cb 0.33 -2.25 -0.02 0.00 -0.04 0.00 0.00 33.50 31.52 1bw4 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 s ALA 55 N 6.04 4.44 0.00 0.55 0.00 -1.26 -4.97 121.76 126.56 1bw4 s ALA 55 Ca 0.39 -3.69 0.00 0.00 0.00 0.00 0.00 51.96 48.67 1bw4 s ALA 55 Cb 0.09 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1bw4 s ALA 55 CO 0.20 -2.21 0.00 0.41 0.00 0.00 0.00 175.76 174.16 1bw4 n GLY 56 N 3.00 4.06 3.55 0.00 0.00 -1.26 -4.74 105.19 109.80 1bw4 n GLY 56 Ca 0.20 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.97 2.46 0.36 1.61 0.04 -1.26 -4.90 135.00 129.34 1bw4 s PRO 57 Ca 0.00 0.85 -0.00 0.00 0.04 0.00 0.00 61.00 61.88 1bw4 s PRO 57 Cb 0.00 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 30.09 1bw4 s PRO 57 CO 0.00 -2.91 0.47 -2.13 0.04 0.00 0.00 177.00 172.47 1bw4 n ARG 58 N 9.13 0.68 0.00 4.56 0.63 -1.26 -4.95 116.66 125.46 1bw4 n ARG 58 Ca 0.25 -2.96 0.00 0.00 -0.92 0.00 0.00 57.85 54.22 1bw4 n ARG 58 Cb 0.53 2.78 0.00 0.00 0.45 0.00 0.00 32.46 36.22 1bw4 n ARG 58 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bw4 n GLY 59 N -0.60 3.52 0.00 5.14 0.00 -1.26 -5.03 105.19 106.96 1bw4 n GLY 59 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.01 1.61 6.02 -1.26 -4.70 117.38 117.04 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 -0.06 -0.00 0.00 1.02 0.00 0.00 30.24 31.19 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 -2.48 6.66 -0.14 -1.58 0.00 -1.26 -4.05 120.51 117.66 1bw4 n ALA 61 Ca 0.00 -4.10 -0.29 0.00 0.00 0.00 0.00 53.44 49.06 1bw4 n ALA 61 Cb 0.00 -2.81 -0.10 0.00 0.00 0.00 0.00 19.45 16.54 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 2.02 1.25 -0.49 0.00 0.00 -1.26 -4.42 120.51 117.63 1bw4 n ALA 62 Ca 0.60 -1.08 0.38 0.00 0.00 0.00 0.00 53.44 53.34 1bw4 n ALA 62 Cb 0.26 0.14 0.61 0.00 0.00 0.00 0.00 19.45 20.46 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 -1.59 4.42 3.22 0.00 0.00 -1.26 -4.60 105.19 105.38 1bw4 n GLY 64 Ca 0.35 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.25 0.99 0.29 1.61 -0.14 0.39 -4.75 119.74 114.87 1bw4 s LYS 65 Ca 0.55 -1.41 0.05 0.00 -1.36 0.00 0.00 55.97 53.81 1bw4 s LYS 65 Cb 0.47 -0.50 -0.06 0.00 -1.68 0.00 0.00 37.83 36.06 1bw4 s LYS 65 CO 0.10 0.05 -0.02 0.00 -0.76 0.00 0.00 175.35 174.72 1bw4 s LEU 67 N -3.44 2.32 -0.30 0.00 1.43 0.32 -0.60 118.68 118.42 1bw4 s LEU 67 Ca 0.31 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 1bw4 s LEU 67 Cb 0.06 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 1bw4 s LEU 67 CO 0.12 0.00 0.57 -0.60 0.23 0.00 0.00 176.35 176.68 1bw4 s ARG 68 N 1.29 3.91 -0.10 1.70 3.52 0.09 -1.40 118.95 127.97 1bw4 s ARG 68 Ca 0.04 0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.89 1bw4 s ARG 68 Cb -0.13 -3.72 -0.02 0.00 -1.56 0.00 0.00 34.95 29.52 1bw4 s ARG 68 CO -0.10 -0.51 -0.13 0.08 -0.81 0.00 0.00 175.30 173.83 1bw4 s VAL 69 N 2.48 3.11 0.02 7.11 1.01 -0.09 -1.53 120.40 132.50 1bw4 s VAL 69 Ca 0.23 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1bw4 s VAL 69 Cb -0.15 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 1bw4 s VAL 69 CO 0.11 0.55 -0.11 -0.89 0.00 0.00 0.00 175.10 174.76 1bw4 s THR 70 N -0.02 0.84 -0.21 3.92 2.01 -0.63 -0.15 115.64 121.41 1bw4 s THR 70 Ca -0.03 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 1bw4 s THR 70 Cb -0.14 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 1bw4 s THR 70 CO 0.04 0.02 -0.03 0.21 -0.69 0.00 0.00 174.62 174.18 1bw4 s ASN 71 N -0.81 4.53 0.00 3.53 2.47 0.66 -0.99 114.94 124.33 1bw4 s ASN 71 Ca 0.00 -0.30 0.00 0.00 0.42 0.00 0.00 52.86 52.98 1bw4 s ASN 71 Cb -0.06 -1.77 0.00 0.00 -1.45 0.00 0.00 41.25 37.96 1bw4 s ASN 71 CO 0.00 0.03 0.64 -2.65 -3.72 0.00 0.00 177.10 171.40 1bw4 n PRO 72 N 4.48 0.00 -0.13 0.43 -0.02 -1.26 -0.84 135.00 137.66 1bw4 n PRO 72 Ca -0.18 0.29 -0.03 0.00 -2.02 0.00 0.00 63.50 61.57 1bw4 n PRO 72 Cb 0.51 -1.19 -0.02 0.00 -0.02 0.00 0.00 33.50 32.78 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 -1.36 -0.16 0.39 3.55 0.00 -1.26 0.68 120.51 122.35 1bw4 n ALA 73 Ca 0.00 0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.85 1bw4 n ALA 73 Cb 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 19.45 19.48 1bw4 n ALA 73 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1bw4 h THR 74 N 0.00 0.00 0.00 0.00 1.35 -1.98 -3.48 112.91 108.80 1bw4 h THR 74 Ca 0.07 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1bw4 h THR 74 Cb 0.15 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1bw4 h THR 74 CO -0.32 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.56 1bw4 n GLY 75 N 1.27 1.08 3.81 5.82 0.00 0.21 -4.99 105.19 112.39 1bw4 n GLY 75 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.77 2.84 -0.10 4.61 0.00 -1.22 -4.73 121.76 120.37 1bw4 s ALA 76 Ca 0.00 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.29 1bw4 s ALA 76 Cb 0.00 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.93 1bw4 s ALA 76 CO 0.00 -0.52 0.35 1.14 0.00 0.00 0.00 175.76 176.72 1bw4 s GLN 77 N -3.72 0.48 0.16 0.00 -2.07 -1.26 -0.25 119.66 113.01 1bw4 s GLN 77 Ca 0.65 0.32 -0.01 0.00 -1.82 0.00 0.00 55.36 54.50 1bw4 s GLN 77 Cb -0.15 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 31.95 1bw4 s GLN 77 CO 0.29 -0.08 0.09 -1.50 -1.32 0.00 0.00 175.29 172.76 1bw4 s ILE 78 N -0.20 0.07 -0.23 3.63 1.10 0.79 -4.98 121.20 121.39 1bw4 s ILE 78 Ca -0.03 -1.95 -0.03 0.00 -0.51 0.00 0.00 60.65 58.13 1bw4 s ILE 78 Cb -0.03 -2.25 0.01 0.00 0.15 0.00 0.00 42.46 40.34 1bw4 s ILE 78 CO 0.01 -0.26 -0.06 -0.89 -2.11 0.00 0.00 174.94 171.63 1bw4 s THR 79 N -4.09 3.09 0.12 4.00 2.01 -1.26 -0.91 115.64 118.60 1bw4 s THR 79 Ca 0.31 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.66 1bw4 s THR 79 Cb 0.07 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1bw4 s THR 79 CO 0.06 0.35 -0.10 0.00 -0.69 0.00 0.00 174.62 174.24 1bw4 s ALA 80 N 1.41 2.94 0.17 7.40 0.00 -0.49 -4.21 121.76 128.98 1bw4 s ALA 80 Ca 0.04 -1.28 -0.08 0.00 0.00 0.00 0.00 51.96 50.63 1bw4 s ALA 80 Cb -0.15 -0.86 -0.06 0.00 0.00 0.00 0.00 23.12 22.05 1bw4 s ALA 80 CO -0.05 0.61 0.47 0.50 0.00 0.00 0.00 175.76 177.30 1bw4 s ARG 81 N -2.30 3.75 0.06 0.00 3.52 -1.26 -0.52 118.95 122.19 1bw4 s ARG 81 Ca 0.22 0.15 -0.19 0.00 -0.13 0.00 0.00 55.73 55.78 1bw4 s ARG 81 Cb -0.11 -2.79 -0.07 0.00 -1.56 0.00 0.00 34.95 30.43 1bw4 s ARG 81 CO 0.14 0.42 0.54 0.42 -0.81 0.00 0.00 175.30 176.01 1bw4 s ILE 82 N -1.68 4.78 0.00 4.11 1.01 -0.09 0.11 121.20 129.45 1bw4 s ILE 82 Ca 0.42 1.16 0.00 0.00 0.00 0.00 0.00 60.65 62.23 1bw4 s ILE 82 Cb -0.12 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1bw4 s ILE 82 CO 0.22 0.56 0.00 0.55 0.00 0.00 0.00 174.94 176.27 1bw4 n VAL 83 N 1.73 0.00 -4.50 2.92 3.14 0.20 -4.29 118.33 117.52 1bw4 n VAL 83 Ca -0.11 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.02 1bw4 n VAL 83 Cb 0.51 -0.17 -0.07 0.00 -1.06 0.00 0.00 33.84 33.05 1bw4 n VAL 83 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1bw4 n ASP 84 N -1.83 1.34 -3.94 6.55 2.03 -1.16 -4.28 116.55 115.26 1bw4 n ASP 84 Ca 0.00 -3.12 -0.23 0.00 0.52 0.00 0.00 54.79 51.96 1bw4 n ASP 84 Cb 0.16 0.97 -0.17 0.00 -0.72 0.00 0.00 41.12 41.36 1bw4 n ASP 84 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1bw4 s GLN 85 N -3.53 1.26 0.17 -0.67 0.74 -1.26 -1.85 119.66 114.52 1bw4 s GLN 85 Ca 0.19 -0.24 0.03 0.00 0.05 0.00 0.00 55.36 55.38 1bw4 s GLN 85 Cb 0.01 -1.16 -0.01 0.00 1.10 0.00 0.00 33.01 32.95 1bw4 s GLN 85 CO 0.13 -0.06 0.18 0.00 -0.55 0.00 0.00 175.29 174.99 1bw4 n ALA 87 N -1.82 2.66 -2.50 0.00 0.00 -1.26 -3.95 120.51 113.64 1bw4 n ALA 87 Ca -0.06 -1.05 -0.25 0.00 0.00 0.00 0.00 53.44 52.08 1bw4 n ALA 87 Cb 0.31 -0.40 -0.10 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.05 3.64 0.00 0.00 4.22 -1.26 -4.77 114.94 115.72 1bw4 s ASN 88 Ca 0.09 -1.09 0.00 0.00 -2.14 0.00 0.00 52.86 49.72 1bw4 s ASN 88 Cb 0.11 -0.32 0.00 0.00 1.28 0.00 0.00 41.25 42.32 1bw4 s ASN 88 CO -0.05 -0.05 0.00 0.61 -2.04 0.00 0.00 177.10 175.58 1bw4 n GLY 89 N -0.68 0.72 3.99 0.45 0.00 -1.26 -4.50 105.19 103.90 1bw4 n GLY 89 Ca -0.05 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1bw4 n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bw4 s GLY 90 N 0.00 1.76 -0.71 -0.02 0.00 -1.26 -4.64 107.32 102.45 1bw4 s GLY 90 Ca 0.00 -1.73 0.03 0.00 0.00 0.00 0.00 44.72 43.02 1bw4 s GLY 90 CO 0.00 -1.10 1.11 1.47 0.00 0.00 0.00 173.10 174.58 1bw4 n LEU 91 N -3.00 5.02 -3.66 0.66 -0.00 -1.26 -2.62 117.00 112.13 1bw4 n LEU 91 Ca 0.16 -5.56 -0.05 0.00 -0.00 0.00 0.00 56.01 50.57 1bw4 n LEU 91 Cb 0.60 -0.74 -0.01 0.00 -0.00 0.00 0.00 43.42 43.27 1bw4 n LEU 91 CO 0.42 2.20 0.74 1.51 -0.00 0.00 0.00 177.39 182.26 1bw4 s ASP 92 N -2.77 -0.23 -0.62 1.45 1.47 -1.09 -2.75 116.67 112.13 1bw4 s ASP 92 Ca 0.44 -0.25 0.06 0.00 1.18 0.00 0.00 52.55 53.98 1bw4 s ASP 92 Cb 0.22 0.42 0.23 0.00 -0.34 0.00 0.00 42.92 43.45 1bw4 s ASP 92 CO -0.10 -0.76 0.64 0.00 0.68 0.00 0.00 175.17 175.64 1bw4 n LEU 93 N -0.39 3.01 0.00 2.11 -0.00 -1.10 0.03 117.00 120.66 1bw4 n LEU 93 Ca -0.07 -5.26 0.00 0.00 -0.00 0.00 0.00 56.01 50.68 1bw4 n LEU 93 Cb 0.61 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 1bw4 n LEU 93 CO 0.12 1.97 0.00 0.47 -0.00 0.00 0.00 177.39 179.96 1bw4 n ASP 94 N 1.28 0.00 0.00 1.45 9.92 -1.01 -3.82 116.55 124.37 1bw4 n ASP 94 Ca 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1bw4 n ASP 94 Cb 0.41 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 1bw4 n ASP 94 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1bw4 n TRP 95 N 0.00 0.00 -0.64 1.24 -0.00 -1.26 -3.79 117.44 112.99 1bw4 n TRP 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1bw4 n TRP 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1bw4 n TRP 95 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1bw4 n ASP 96 N 0.62 0.49 -0.06 5.87 5.68 -1.26 -4.59 116.55 123.30 1bw4 n ASP 96 Ca 0.00 -1.13 -0.04 0.00 -0.50 0.00 0.00 54.79 53.12 1bw4 n ASP 96 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1bw4 n THR 97 N -0.07 1.21 0.00 2.12 -2.24 -1.25 -4.64 114.28 109.41 1bw4 n THR 97 Ca 0.00 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1bw4 n THR 97 Cb 0.25 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.22 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 -4.27 0.00 0.00 2.28 0.31 -1.26 -4.61 118.33 110.78 1bw4 n VAL 98 Ca -0.06 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 1bw4 n VAL 98 Cb 0.22 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 1bw4 n VAL 98 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1bw4 n PHE 99 N -1.83 0.00 0.30 3.52 7.35 -1.26 -0.18 117.46 125.36 1bw4 n PHE 99 Ca 0.00 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.88 1bw4 n PHE 99 Cb 0.00 0.00 1.00 0.00 0.35 0.00 0.00 39.48 40.83 1bw4 n PHE 99 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1bw4 h THR 100 N 0.00 0.00 0.32 -2.13 1.35 -1.81 -2.34 112.91 108.30 1bw4 h THR 100 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1bw4 h THR 100 Cb 0.00 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.23 1bw4 h THR 100 CO 0.00 0.00 -0.15 0.11 -0.25 0.00 0.00 175.52 175.23 1bw4 h LYS 101 N 0.00 -0.41 0.40 4.72 1.79 -1.78 -3.34 116.57 117.95 1bw4 h LYS 101 Ca 0.00 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1bw4 h LYS 101 Cb 0.15 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1bw4 h LYS 101 CO 0.00 -0.08 -0.34 -0.84 -1.08 0.00 0.00 179.45 177.11 1bw4 h ILE 102 N -0.91 0.00 0.00 1.86 3.07 -0.00 -3.48 117.51 118.06 1bw4 h ILE 102 Ca -0.04 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.37 1bw4 h ILE 102 Cb 0.52 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.07 1bw4 h ILE 102 CO 0.07 0.00 0.00 -0.67 -1.05 0.00 0.00 178.15 176.50 1bw4 n ASP 103 N -4.46 0.00 -0.18 2.16 2.03 -1.17 -4.80 116.55 110.13 1bw4 n ASP 103 Ca -0.09 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.21 1bw4 n ASP 103 Cb 0.32 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.71 1bw4 n ASP 103 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1bw4 n THR 104 N -0.61 0.00 -0.07 5.18 -2.24 -1.26 -4.78 114.28 110.50 1bw4 n THR 104 Ca 0.00 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1bw4 n THR 104 Cb 0.00 -0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.09 1bw4 n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bw4 h ASN 105 N 0.47 0.01 0.00 3.42 -1.07 -1.90 -3.39 115.58 113.13 1bw4 h ASN 105 Ca -0.00 -1.00 0.00 0.00 0.07 0.00 0.00 56.30 55.37 1bw4 h ASN 105 Cb 0.05 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.30 1bw4 h ASN 105 CO 0.06 1.01 -0.78 0.61 0.07 0.00 0.00 177.43 178.39 1bw4 n GLY 106 N 1.60 0.00 0.00 9.14 0.00 -1.26 -4.78 105.19 109.89 1bw4 n GLY 106 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.46 0.00 0.27 -0.61 2.08 -1.26 0.59 119.36 117.97 1bw4 n ILE 107 Ca 0.00 0.00 -0.17 0.00 0.56 0.00 0.00 62.75 63.14 1bw4 n ILE 107 Cb 0.39 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 39.20 1bw4 n ILE 107 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1bw4 h GLY 108 N 0.00 -1.00 -0.52 7.39 0.00 -1.88 -2.42 103.07 104.65 1bw4 h GLY 108 Ca 0.00 0.47 0.34 0.00 0.00 0.00 0.00 47.33 48.14 1bw4 h GLY 108 CO 0.00 -0.34 0.79 -1.82 0.00 0.00 0.00 176.54 175.17 1bw4 h TYR 109 N -0.86 0.44 0.00 5.60 3.20 -0.10 0.24 116.97 125.49 1bw4 h TYR 109 Ca -0.04 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 1bw4 h TYR 109 Cb 0.76 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1bw4 h TYR 109 CO -0.21 -0.02 -0.19 0.37 -1.64 0.00 0.00 178.16 176.47 1bw4 h GLN 110 N 0.21 0.00 0.02 1.82 4.15 0.12 -3.06 115.11 118.36 1bw4 h GLN 110 Ca 0.66 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.73 1bw4 h GLN 110 Cb 2.05 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.68 1bw4 h GLN 110 CO -0.25 0.19 -2.19 0.94 -1.93 0.00 0.00 178.83 175.59 1bw4 n GLN 111 N -3.30 0.68 0.00 1.69 -0.06 0.55 -5.00 117.38 111.93 1bw4 n GLN 111 Ca 0.01 0.13 0.00 0.00 -2.00 0.00 0.00 57.00 55.14 1bw4 n GLN 111 Cb 0.44 -1.61 0.00 0.00 -4.06 0.00 0.00 30.24 25.01 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1bw4 n GLY 112 N 1.83 3.82 3.49 1.69 0.00 0.50 -5.08 105.19 111.45 1bw4 n GLY 112 Ca -0.31 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 0.52 0.16 1.61 -3.43 -1.18 -4.61 115.29 108.37 1bw4 s HIS 113 Ca 0.00 -0.86 0.01 0.00 -0.80 0.00 0.00 55.06 53.42 1bw4 s HIS 113 Cb 0.00 0.02 -0.01 0.00 -1.43 0.00 0.00 32.58 31.17 1bw4 s HIS 113 CO 0.00 -0.90 0.05 -0.11 -2.00 0.00 0.00 174.74 171.78 1bw4 n LEU 114 N -0.35 0.00 -4.09 5.38 7.94 -0.05 -4.78 117.00 121.05 1bw4 n LEU 114 Ca -0.01 -1.23 -0.29 0.00 -1.11 0.00 0.00 56.01 53.36 1bw4 n LEU 114 Cb 0.63 0.38 -0.17 0.00 0.53 0.00 0.00 43.42 44.80 1bw4 n LEU 114 CO 0.25 -0.19 -0.51 0.21 -1.11 0.00 0.00 177.39 176.04 1bw4 s ASN 115 N -1.99 2.60 0.28 1.96 3.04 -1.26 0.31 114.94 119.87 1bw4 s ASN 115 Ca 0.07 -0.47 0.02 0.00 0.04 0.00 0.00 52.86 52.53 1bw4 s ASN 115 Cb 0.00 -1.18 -0.06 0.00 -1.54 0.00 0.00 41.25 38.48 1bw4 s ASN 115 CO 0.05 0.04 0.07 0.68 -3.04 0.00 0.00 177.10 174.91 1bw4 s VAL 116 N 0.87 0.86 0.02 -5.21 -7.23 -0.51 -4.42 120.40 104.77 1bw4 s VAL 116 Ca -0.08 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.16 1bw4 s VAL 116 Cb -0.15 -2.69 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 1bw4 s VAL 116 CO -0.00 -0.02 -0.21 0.20 -0.31 0.00 0.00 175.10 174.75 1bw4 s ASN 117 N -3.39 2.52 0.01 4.85 0.01 -0.17 -2.46 114.94 116.32 1bw4 s ASN 117 Ca 0.37 -0.47 -0.05 0.00 -0.71 0.00 0.00 52.86 52.00 1bw4 s ASN 117 Cb 0.08 -0.24 -0.01 0.00 0.41 0.00 0.00 41.25 41.49 1bw4 s ASN 117 CO 0.14 0.21 0.09 -0.72 -1.51 0.00 0.00 177.10 175.31 1bw4 s TYR 118 N -0.67 0.12 -0.05 2.20 -0.85 -0.01 -1.60 117.35 116.49 1bw4 s TYR 118 Ca 0.08 -0.29 0.05 0.00 -0.52 0.00 0.00 57.07 56.39 1bw4 s TYR 118 Cb -0.09 -0.10 -0.01 0.00 0.38 0.00 0.00 41.96 42.15 1bw4 s TYR 118 CO 0.01 -0.27 -0.21 -0.65 -1.52 0.00 0.00 175.55 172.90 1bw4 s GLN 119 N -1.57 2.18 -0.24 -3.49 -1.52 -0.58 -2.02 119.66 112.43 1bw4 s GLN 119 Ca -0.14 -0.75 -0.29 0.00 -1.95 0.00 0.00 55.36 52.23 1bw4 s GLN 119 Cb -0.07 -1.86 -0.01 0.00 -0.22 0.00 0.00 33.01 30.85 1bw4 s GLN 119 CO 0.00 0.30 1.31 -0.06 -0.25 0.00 0.00 175.29 176.59 1bw4 s PHE 120 N -0.03 2.71 -0.05 0.91 0.40 -0.94 -0.73 117.98 120.24 1bw4 s PHE 120 Ca -0.04 0.90 0.03 0.00 -0.60 0.00 0.00 56.93 57.21 1bw4 s PHE 120 Cb -0.13 -3.75 0.01 0.00 0.51 0.00 0.00 43.02 39.66 1bw4 s PHE 120 CO 0.03 -1.81 -0.12 0.08 0.70 0.00 0.00 175.22 174.10 1bw4 s VAL 121 N 4.07 1.08 0.09 -0.44 1.01 0.23 -4.92 120.40 121.52 1bw4 s VAL 121 Ca 0.57 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 1bw4 s VAL 121 Cb -0.19 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 1bw4 s VAL 121 CO 0.20 0.33 0.55 1.51 0.00 0.00 0.00 175.10 177.69 1bw4 s ASP 122 N 0.43 6.96 0.17 3.32 -4.77 -1.26 -0.63 116.67 120.89 1bw4 s ASP 122 Ca -0.09 1.17 0.21 0.00 -3.30 0.00 0.00 52.55 50.54 1bw4 s ASP 122 Cb -0.13 -2.33 -0.03 0.00 -1.09 0.00 0.00 42.92 39.34 1bw4 s ASP 122 CO 0.02 0.22 0.99 0.00 0.70 0.00 0.00 175.17 177.11 1bw4 n ARG 124 N -2.72 -0.66 0.00 0.00 5.12 -1.26 -5.14 116.66 112.00 1bw4 n ARG 124 Ca -0.02 -0.21 0.14 0.00 -1.93 0.00 0.00 57.85 55.83 1bw4 n ARG 124 Cb 0.61 -0.84 0.53 0.00 -1.16 0.00 0.00 32.46 31.60 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23