#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 -0.06 3.49 -0.21 -1.26 -0.66 119.66 122.75 1bw4 s GLN 2 Ca 0.00 -0.79 0.04 0.00 0.02 0.00 0.00 55.36 54.64 1bw4 s GLN 2 Cb 0.00 -2.35 -0.00 0.00 1.00 0.00 0.00 33.01 31.66 1bw4 s GLN 2 CO 0.00 -0.46 -0.20 0.00 -2.12 0.00 0.00 175.29 172.51 1bw4 s ALA 3 N 1.46 1.79 0.46 6.09 0.00 -0.23 -4.99 121.76 126.33 1bw4 s ALA 3 Ca -0.02 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.17 1bw4 s ALA 3 Cb -0.16 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1bw4 s ALA 3 CO -0.08 0.29 0.03 0.54 0.00 0.00 0.00 175.76 176.55 1bw4 s ASN 4 N 0.15 3.67 -1.16 0.00 2.20 -1.26 -0.91 114.94 117.63 1bw4 s ASN 4 Ca -0.09 -1.59 -0.09 0.00 -0.94 0.00 0.00 52.86 50.16 1bw4 s ASN 4 Cb -0.14 0.31 0.01 0.00 -2.00 0.00 0.00 41.25 39.43 1bw4 s ASN 4 CO 0.04 -0.78 0.16 -0.67 -2.94 0.00 0.00 177.10 172.92 1bw4 n ASP 5 N -1.18 -0.45 -4.66 3.54 2.03 -1.22 -4.91 116.55 109.70 1bw4 n ASP 5 Ca -0.13 -1.03 -0.35 0.00 0.52 0.00 0.00 54.79 53.81 1bw4 n ASP 5 Cb 0.67 -1.27 -0.10 0.00 -0.72 0.00 0.00 41.12 39.70 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 -4.02 4.25 -0.81 5.18 1.01 -0.90 -4.96 120.40 120.14 1bw4 s VAL 6 Ca 0.12 -0.27 -0.26 0.00 0.00 0.00 0.00 61.98 61.58 1bw4 s VAL 6 Cb -0.07 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.56 1bw4 s VAL 6 CO 0.79 0.60 1.34 -0.13 0.00 0.00 0.00 175.10 177.70 1bw4 s ARG 7 N -0.78 3.28 -0.14 2.72 3.00 -1.26 -2.56 118.95 123.20 1bw4 s ARG 7 Ca 0.12 -0.45 -0.25 0.00 0.00 0.00 0.00 55.73 55.14 1bw4 s ARG 7 Cb -0.11 -4.50 -0.02 0.00 0.00 0.00 0.00 34.95 30.31 1bw4 s ARG 7 CO 0.02 -2.19 0.83 0.00 0.00 0.00 0.00 175.30 173.96 1bw4 s ALA 8 N 5.66 3.46 -0.36 2.13 0.00 0.08 -4.88 121.76 127.84 1bw4 s ALA 8 Ca 0.39 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 1bw4 s ALA 8 Cb -0.06 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1bw4 s ALA 8 CO 0.08 -0.53 1.09 0.95 0.00 0.00 0.00 175.76 177.36 1bw4 s THR 9 N 1.84 4.42 -1.59 0.00 -4.23 -1.26 -0.73 115.64 114.10 1bw4 s THR 9 Ca 0.40 1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 62.39 1bw4 s THR 9 Cb -0.17 -4.47 -0.06 0.00 1.34 0.00 0.00 72.50 69.14 1bw4 s THR 9 CO 0.15 -0.63 2.78 0.00 -0.54 0.00 0.00 174.62 176.38 1bw4 n TYR 10 N 7.15 2.70 -4.63 3.99 4.11 -1.23 -4.40 117.16 124.85 1bw4 n TYR 10 Ca 0.12 -3.07 -0.33 0.00 -0.00 0.00 0.00 57.90 54.62 1bw4 n TYR 10 Cb 0.48 -2.51 -0.14 0.00 -0.00 0.00 0.00 39.34 37.16 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 2.41 2.85 0.23 -3.48 2.46 -1.11 -5.01 115.29 113.64 1bw4 s HIS 11 Ca 0.64 -0.66 -0.13 0.00 0.47 0.00 0.00 55.06 55.38 1bw4 s HIS 11 Cb 0.17 -1.89 -0.00 0.00 -0.13 0.00 0.00 32.58 30.73 1bw4 s HIS 11 CO -0.07 -0.24 0.45 1.52 -2.47 0.00 0.00 174.74 173.93 1bw4 s TYR 12 N 0.49 0.31 0.10 3.88 -0.85 -1.26 -0.01 117.35 120.02 1bw4 s TYR 12 Ca -0.08 -0.67 0.01 0.00 -0.52 0.00 0.00 57.07 55.81 1bw4 s TYR 12 Cb -0.15 0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 1bw4 s TYR 12 CO 0.04 -0.94 0.22 0.71 -1.52 0.00 0.00 175.55 174.06 1bw4 s TYR 13 N -3.99 3.47 -0.50 -3.49 1.51 0.89 -4.92 117.35 110.32 1bw4 s TYR 13 Ca 0.20 0.18 0.05 0.00 -1.01 0.00 0.00 57.07 56.49 1bw4 s TYR 13 Cb -0.00 -1.71 0.38 0.00 -0.11 0.00 0.00 41.96 40.53 1bw4 s TYR 13 CO 0.06 0.56 1.03 -2.13 -1.11 0.00 0.00 175.55 173.96 1bw4 n ARG 14 N -0.03 3.29 0.11 -0.62 0.63 -1.25 -1.32 116.66 117.46 1bw4 n ARG 14 Ca -0.06 -4.63 0.18 0.00 -0.92 0.00 0.00 57.85 52.41 1bw4 n ARG 14 Cb 0.52 -2.22 0.73 0.00 0.45 0.00 0.00 32.46 31.94 1bw4 n ARG 14 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1bw4 h PRO 15 N 2.77 0.00 -0.76 -0.14 0.11 -1.87 -3.19 132.00 128.92 1bw4 h PRO 15 Ca 0.22 0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.59 1bw4 h PRO 15 Cb 0.74 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.77 1bw4 h PRO 15 CO 0.83 0.00 0.49 0.00 -0.21 0.00 0.00 178.00 179.10 1bw4 n ALA 16 N -2.51 0.75 -0.22 -0.75 0.00 -1.26 -2.70 120.51 113.82 1bw4 n ALA 16 Ca 0.05 0.48 0.05 0.00 0.00 0.00 0.00 53.44 54.03 1bw4 n ALA 16 Cb 0.45 -0.59 0.11 0.00 0.00 0.00 0.00 19.45 19.42 1bw4 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n GLN 17 N -3.78 -0.05 -2.67 0.00 10.64 -1.21 0.23 117.38 120.54 1bw4 n GLN 17 Ca 0.22 0.93 -0.34 0.00 -1.83 0.00 0.00 57.00 55.99 1bw4 n GLN 17 Cb 0.86 -1.42 -0.00 0.00 -0.86 0.00 0.00 30.24 28.82 1bw4 n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1bw4 n ASN 18 N -4.93 5.94 -4.04 2.61 2.85 -1.10 -4.76 115.26 111.82 1bw4 n ASN 18 Ca 0.11 -3.71 -0.34 0.00 -0.11 0.00 0.00 54.58 50.53 1bw4 n ASN 18 Cb 0.35 -0.84 -0.06 0.00 1.24 0.00 0.00 39.78 40.47 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1bw4 n ASN 19 N -0.23 -1.60 -3.38 1.20 5.15 0.64 -1.75 115.26 115.29 1bw4 n ASN 19 Ca 0.40 -0.90 -0.15 0.00 -0.60 0.00 0.00 54.58 53.34 1bw4 n ASN 19 Cb 0.35 -1.42 -0.05 0.00 -0.53 0.00 0.00 39.78 38.14 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 -3.61 -0.61 -2.60 1.20 2.14 -0.67 -4.79 117.44 108.50 1bw4 n TRP 20 Ca 0.09 0.30 -0.41 0.00 2.07 0.00 0.00 57.50 59.55 1bw4 n TRP 20 Cb 0.43 -1.36 -0.03 0.00 -0.81 0.00 0.00 31.31 29.55 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 -3.67 6.51 0.32 -0.67 2.15 -0.72 -4.80 116.67 115.79 1bw4 s ASP 21 Ca 0.00 -1.50 0.27 0.00 0.43 0.00 0.00 52.55 51.75 1bw4 s ASP 21 Cb -0.00 -2.55 0.92 0.00 -0.30 0.00 0.00 42.92 40.99 1bw4 s ASP 21 CO 0.48 -1.47 0.86 0.18 -0.17 0.00 0.00 175.17 175.06 1bw4 n LEU 22 N 8.65 0.00 -0.34 -1.34 4.77 -1.26 -0.19 117.00 127.29 1bw4 n LEU 22 Ca 0.32 0.54 0.09 0.00 -0.03 0.00 0.00 56.01 56.93 1bw4 n LEU 22 Cb 0.51 -0.26 0.28 0.00 -2.33 0.00 0.00 43.42 41.61 1bw4 n LEU 22 CO 0.64 -0.54 1.23 1.23 -1.33 0.00 0.00 177.39 178.62 1bw4 h GLY 23 N 0.00 1.53 -6.31 -0.72 0.00 -1.93 -2.92 103.07 92.72 1bw4 h GLY 23 Ca 0.50 -0.39 -0.45 0.00 0.00 0.00 0.00 47.33 46.99 1bw4 h GLY 23 CO -0.01 0.13 1.59 0.00 0.00 0.00 0.00 176.54 178.26 1bw4 n ALA 24 N -2.37 0.28 -0.20 3.60 0.00 0.74 -4.61 120.51 117.95 1bw4 n ALA 24 Ca 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 1bw4 n ALA 24 Cb 0.39 -2.05 -0.05 0.00 0.00 0.00 0.00 19.45 17.75 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 7.60 -0.20 -0.13 0.00 -0.01 -1.26 -0.93 135.00 140.06 1bw4 n PRO 25 Ca 0.60 0.74 0.23 0.00 -0.01 0.00 0.00 63.50 65.06 1bw4 n PRO 25 Cb 0.03 -1.09 0.36 0.00 -0.01 0.00 0.00 33.50 32.79 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 -3.54 0.83 -0.05 3.55 0.00 -1.26 -2.64 120.51 117.40 1bw4 n ALA 26 Ca 0.01 0.29 -0.06 0.00 0.00 0.00 0.00 53.44 53.68 1bw4 n ALA 26 Cb 0.12 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 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 -3.10 1.21 -1.86 0.00 0.31 -0.11 -5.08 118.33 109.70 1bw4 n VAL 27 Ca 0.20 0.23 -0.01 0.00 -0.01 0.00 0.00 64.34 64.75 1bw4 n VAL 27 Cb 1.44 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 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 -3.96 -3.23 -4.94 4.52 3.41 -1.08 -4.99 113.62 103.34 1bw4 n SER 28 Ca -0.09 0.18 -0.24 0.00 -0.26 0.00 0.00 58.87 58.46 1bw4 n SER 28 Cb 0.34 -0.78 0.03 0.00 -0.26 0.00 0.00 64.21 63.53 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 -0.51 3.54 0.07 7.33 0.00 -1.26 -5.02 121.76 125.91 1bw4 s ALA 29 Ca 0.01 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 50.91 1bw4 s ALA 29 Cb -0.00 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 1bw4 s ALA 29 CO 0.02 -0.66 1.17 0.66 0.00 0.00 0.00 175.76 176.95 1bw4 n TYR 30 N -2.38 -0.19 1.24 0.00 4.01 -1.26 -2.30 117.16 116.28 1bw4 n TYR 30 Ca 0.04 0.53 0.13 0.00 -0.16 0.00 0.00 57.90 58.44 1bw4 n TYR 30 Cb 0.58 -0.52 0.37 0.00 -0.31 0.00 0.00 39.34 39.46 1bw4 n TYR 30 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bw4 n ALA 32 N -0.59 -0.56 -0.42 0.00 0.00 -0.97 0.12 120.51 118.08 1bw4 n ALA 32 Ca 0.12 0.74 0.39 0.00 0.00 0.00 0.00 53.44 54.70 1bw4 n ALA 32 Cb 0.35 -0.09 0.64 0.00 0.00 0.00 0.00 19.45 20.35 1bw4 n ALA 32 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1bw4 h THR 33 N 0.00 0.05 0.00 0.00 2.02 -1.79 0.42 112.91 113.61 1bw4 h THR 33 Ca 0.14 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.15 1bw4 h THR 33 Cb 0.36 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1bw4 h THR 33 CO -0.82 0.00 -1.65 0.79 0.37 0.00 0.00 175.52 174.20 1bw4 n TRP 34 N -3.62 0.00 0.02 3.16 8.01 0.10 -4.77 117.44 120.34 1bw4 n TRP 34 Ca 0.32 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 56.37 1bw4 n TRP 34 Cb 1.68 -0.45 -0.14 0.00 -2.01 0.00 0.00 31.31 30.40 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 0.23 -0.71 -0.99 5.19 0.32 -3.36 116.42 117.09 1bw4 h ASP 35 Ca -0.26 -0.38 0.21 0.00 -0.62 0.00 0.00 57.03 55.98 1bw4 h ASP 35 Cb 1.44 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.85 1bw4 h ASP 35 CO -0.03 1.33 0.56 0.00 -3.12 0.00 0.00 179.24 177.98 1bw4 h ALA 36 N 0.64 2.60 0.00 3.45 0.00 -0.35 0.30 119.26 125.89 1bw4 h ALA 36 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1bw4 h ALA 36 Cb 2.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1bw4 h ALA 36 CO 0.12 -0.92 0.00 0.66 0.00 0.00 0.00 179.25 179.10 1bw4 h SER 37 N 0.00 0.00 -3.90 0.00 4.64 -1.74 -3.45 113.55 109.10 1bw4 h SER 37 Ca 0.34 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.17 1bw4 h SER 37 Cb 1.45 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.56 1bw4 h SER 37 CO -0.00 0.00 0.42 -0.54 -0.87 0.00 0.00 176.83 175.84 1bw4 s LYS 38 N -3.28 4.36 0.48 4.77 -0.14 0.10 -4.96 119.74 121.08 1bw4 s LYS 38 Ca 0.06 1.58 -0.22 0.00 -1.36 0.00 0.00 55.97 56.04 1bw4 s LYS 38 Cb 0.10 -2.78 -0.10 0.00 -1.68 0.00 0.00 37.83 33.37 1bw4 s LYS 38 CO 0.53 0.02 0.80 -0.35 -0.76 0.00 0.00 175.35 175.59 1bw4 n PRO 39 N 0.41 0.93 -0.26 -1.68 -0.04 -1.26 -4.79 135.00 128.31 1bw4 n PRO 39 Ca 0.03 0.34 0.18 0.00 -0.04 0.00 0.00 63.50 64.00 1bw4 n PRO 39 Cb 0.48 -1.87 0.33 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.48 0.08 0.00 1.53 4.77 -1.26 -3.20 117.00 119.39 1bw4 n LEU 40 Ca 0.11 1.30 0.00 0.00 -0.03 0.00 0.00 56.01 57.39 1bw4 n LEU 40 Cb 0.42 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1bw4 n LEU 40 CO 0.54 -1.38 0.10 -0.24 -1.33 0.00 0.00 177.39 175.08 1bw4 n SER 41 N -4.93 0.00 -0.31 -1.43 2.88 -1.26 -0.86 113.62 107.70 1bw4 n SER 41 Ca 0.23 0.21 0.08 0.00 -1.33 0.00 0.00 58.87 58.06 1bw4 n SER 41 Cb 0.78 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.43 1bw4 n SER 41 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1bw4 h TRP 42 N 0.00 -0.23 -0.40 0.66 7.01 -1.91 0.65 115.95 121.73 1bw4 h TRP 42 Ca 0.00 0.07 0.07 0.00 2.11 0.00 0.00 58.89 61.14 1bw4 h TRP 42 Cb 0.00 0.24 -0.09 0.00 -2.10 0.00 0.00 29.16 27.21 1bw4 h TRP 42 CO 0.00 -0.36 -0.45 -0.09 -2.79 0.00 0.00 178.44 174.75 1bw4 h ARG 43 N 0.03 -0.33 0.04 2.65 2.43 -1.55 -3.11 114.38 114.54 1bw4 h ARG 43 Ca 0.48 0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 59.36 1bw4 h ARG 43 Cb 0.86 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 1bw4 h ARG 43 CO -0.86 -0.22 -1.84 -1.13 -1.51 0.00 0.00 179.97 174.41 1bw4 n SER 44 N -5.41 1.21 -0.35 -3.80 3.41 -0.04 -4.48 113.62 104.15 1bw4 n SER 44 Ca -0.01 0.32 -0.09 0.00 -0.26 0.00 0.00 58.87 58.83 1bw4 n SER 44 Cb 0.35 -0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 63.98 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 -3.16 -0.36 -3.88 4.33 4.81 0.22 -4.20 118.16 115.92 1bw4 n LYS 45 Ca -0.23 1.31 -0.36 0.00 -0.87 0.00 0.00 58.31 58.16 1bw4 n LYS 45 Cb 1.06 -1.92 -0.06 0.00 0.02 0.00 0.00 35.03 34.13 1bw4 n LYS 45 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1bw4 s TYR 46 N -5.28 3.59 0.00 5.64 6.14 -1.18 -4.99 117.35 121.26 1bw4 s TYR 46 Ca -0.10 0.49 0.00 0.00 0.64 0.00 0.00 57.07 58.10 1bw4 s TYR 46 Cb 0.09 -1.91 0.00 0.00 0.42 0.00 0.00 41.96 40.56 1bw4 s TYR 46 CO 0.51 0.70 0.00 0.41 0.64 0.00 0.00 175.55 177.82 1bw4 n GLY 47 N 1.61 0.00 0.89 8.97 0.00 -1.26 -4.70 105.19 110.71 1bw4 n GLY 47 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.66 0.00 -2.77 1.61 4.27 -1.24 -4.75 117.44 113.89 1bw4 n TRP 48 Ca 0.00 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.23 1bw4 n TRP 48 Cb 0.00 -0.59 -0.06 0.00 -1.36 0.00 0.00 31.31 29.30 1bw4 n TRP 48 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1bw4 s THR 49 N -2.57 4.16 0.09 -1.67 -4.23 0.38 -4.67 115.64 107.13 1bw4 s THR 49 Ca 0.00 1.93 -0.21 0.00 -1.18 0.00 0.00 61.69 62.23 1bw4 s THR 49 Cb 0.00 -4.15 -0.07 0.00 1.34 0.00 0.00 72.50 69.62 1bw4 s THR 49 CO 0.00 0.30 0.64 0.00 -0.54 0.00 0.00 174.62 175.02 1bw4 s ALA 50 N -1.42 3.53 -0.09 3.99 0.00 -1.25 -1.33 121.76 125.19 1bw4 s ALA 50 Ca 0.46 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1bw4 s ALA 50 Cb -0.22 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 1bw4 s ALA 50 CO 0.27 0.33 -0.15 0.12 0.00 0.00 0.00 175.76 176.34 1bw4 s PHE 51 N -1.00 2.74 -0.33 0.00 5.36 0.85 -1.23 117.98 124.36 1bw4 s PHE 51 Ca 0.32 -0.47 0.17 0.00 -0.96 0.00 0.00 56.93 55.98 1bw4 s PHE 51 Cb -0.21 -1.74 0.45 0.00 -0.34 0.00 0.00 43.02 41.18 1bw4 s PHE 51 CO 0.21 -0.06 0.95 0.00 -1.46 0.00 0.00 175.22 174.86 1bw4 s GLY 53 N -3.10 1.81 0.01 0.00 0.00 -1.26 -3.68 107.32 101.10 1bw4 s GLY 53 Ca 0.30 -1.72 -0.06 0.00 0.00 0.00 0.00 44.72 43.23 1bw4 s GLY 53 CO 0.01 -1.68 0.94 -0.56 0.00 0.00 0.00 173.10 171.81 1bw4 h PRO 54 N 1.53 -0.21 -3.36 2.90 0.13 -1.99 -3.30 132.00 127.70 1bw4 h PRO 54 Ca -0.44 0.01 -0.70 0.00 -0.87 0.00 0.00 66.00 64.00 1bw4 h PRO 54 Cb 1.25 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1bw4 h PRO 54 CO 0.62 -0.14 3.28 0.00 -0.23 0.00 0.00 178.00 181.52 1bw4 n ALA 55 N -2.13 6.57 -2.75 -0.56 0.00 -1.26 -4.39 120.51 115.99 1bw4 n ALA 55 Ca -0.03 -3.79 -0.09 0.00 0.00 0.00 0.00 53.44 49.53 1bw4 n ALA 55 Cb 0.08 -3.33 0.06 0.00 0.00 0.00 0.00 19.45 16.27 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 3.49 1.59 3.55 0.00 0.00 -1.24 -4.46 105.19 108.11 1bw4 n GLY 56 Ca 0.64 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.40 2.14 0.25 1.61 0.04 -1.26 -4.87 135.00 131.52 1bw4 s PRO 57 Ca 0.26 1.32 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 1bw4 s PRO 57 Cb 0.40 -4.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.35 1bw4 s PRO 57 CO -0.03 -3.23 0.26 -0.98 0.04 0.00 0.00 177.00 173.06 1bw4 s ARG 58 N 8.15 1.46 0.00 4.56 3.03 -1.26 -4.80 118.95 130.10 1bw4 s ARG 58 Ca 0.94 -1.66 0.00 0.00 2.03 0.00 0.00 55.73 57.05 1bw4 s ARG 58 Cb -0.16 0.34 0.00 0.00 -1.03 0.00 0.00 34.95 34.09 1bw4 s ARG 58 CO 0.25 -0.54 0.00 0.41 -1.13 0.00 0.00 175.30 174.30 1bw4 n GLY 59 N -0.40 1.27 0.00 3.88 0.00 -1.26 -5.06 105.19 103.63 1bw4 n GLY 59 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.46 1.61 6.02 -1.26 -4.45 117.38 117.84 1bw4 n GLN 60 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 1bw4 n GLN 60 Cb 0.00 -0.15 -0.05 0.00 1.02 0.00 0.00 30.24 31.06 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 -2.33 7.10 -0.05 -1.58 0.00 -1.26 -3.75 120.51 118.63 1bw4 n ALA 61 Ca 0.00 -3.37 -0.12 0.00 0.00 0.00 0.00 53.44 49.95 1bw4 n ALA 61 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 19.45 16.46 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 2.69 2.22 -1.50 0.00 0.00 -1.26 -4.88 120.51 117.77 1bw4 n ALA 62 Ca 0.67 -0.46 -0.21 0.00 0.00 0.00 0.00 53.44 53.43 1bw4 n ALA 62 Cb 0.37 0.33 -0.22 0.00 0.00 0.00 0.00 19.45 19.93 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 5.61 1.01 3.97 0.00 0.00 -1.03 -5.02 105.19 109.72 1bw4 n GLY 64 Ca 0.66 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.42 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 1.19 0.16 1.61 -0.14 0.85 -3.69 119.74 119.71 1bw4 s LYS 65 Ca 0.00 -0.84 -0.01 0.00 -1.36 0.00 0.00 55.97 53.75 1bw4 s LYS 65 Cb 0.00 -2.12 -0.04 0.00 -1.68 0.00 0.00 37.83 33.99 1bw4 s LYS 65 CO 0.00 -1.89 0.09 0.00 -0.76 0.00 0.00 175.35 172.79 1bw4 s LEU 67 N -3.09 2.09 -0.15 0.00 0.20 0.63 -0.43 118.68 117.94 1bw4 s LEU 67 Ca 0.29 -0.57 -0.13 0.00 0.69 0.00 0.00 54.13 54.41 1bw4 s LEU 67 Cb 0.07 -1.41 -0.05 0.00 -0.43 0.00 0.00 46.19 44.37 1bw4 s LEU 67 CO 0.05 0.13 0.27 -0.60 -0.29 0.00 0.00 176.35 175.92 1bw4 s ARG 68 N 0.52 4.18 -0.13 1.98 3.52 0.29 -0.30 118.95 129.01 1bw4 s ARG 68 Ca -0.14 0.07 0.02 0.00 -0.13 0.00 0.00 55.73 55.54 1bw4 s ARG 68 Cb -0.17 -3.40 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1bw4 s ARG 68 CO 0.05 0.31 -0.17 0.08 -0.81 0.00 0.00 175.30 174.75 1bw4 s VAL 69 N 0.27 1.69 -0.05 7.11 1.01 0.35 -1.67 120.40 129.10 1bw4 s VAL 69 Ca 0.16 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.46 1bw4 s VAL 69 Cb -0.13 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1bw4 s VAL 69 CO 0.04 0.48 -0.24 -0.89 0.00 0.00 0.00 175.10 174.49 1bw4 s THR 70 N 1.08 1.95 -0.99 3.92 2.01 -0.32 -0.71 115.64 122.58 1bw4 s THR 70 Ca -0.03 -1.01 -0.04 0.00 0.31 0.00 0.00 61.69 60.92 1bw4 s THR 70 Cb -0.14 -1.65 0.26 0.00 0.01 0.00 0.00 72.50 70.97 1bw4 s THR 70 CO -0.04 0.54 1.01 -3.20 -0.69 0.00 0.00 174.62 172.24 1bw4 n ASN 71 N 2.97 5.00 -0.32 3.53 5.15 0.17 -1.63 115.26 130.13 1bw4 n ASN 71 Ca -0.17 -3.17 0.18 0.00 -0.60 0.00 0.00 54.58 50.81 1bw4 n ASN 71 Cb 0.52 -1.17 0.36 0.00 -0.53 0.00 0.00 39.78 38.96 1bw4 n ASN 71 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1bw4 h PRO 72 N 5.99 0.16 -0.79 1.20 0.11 -1.84 0.49 132.00 137.33 1bw4 h PRO 72 Ca 0.18 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 66.45 1bw4 h PRO 72 Cb 0.79 -0.04 -0.11 0.00 0.11 0.00 0.00 31.00 31.75 1bw4 h PRO 72 CO 0.99 0.11 0.27 0.00 -0.21 0.00 0.00 178.00 179.16 1bw4 h ALA 73 N 1.86 1.12 0.00 -0.75 0.00 -1.93 -2.73 119.26 116.83 1bw4 h ALA 73 Ca 0.63 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.61 1bw4 h ALA 73 Cb 1.38 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1bw4 h ALA 73 CO -0.71 -0.30 -1.98 0.25 0.00 0.00 0.00 179.25 176.51 1bw4 n THR 74 N -5.08 0.32 -0.44 0.00 -2.24 0.14 -4.97 114.28 102.00 1bw4 n THR 74 Ca 0.17 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1bw4 n THR 74 Cb 0.50 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.51 0.85 3.85 3.38 0.00 0.37 -5.04 105.19 110.13 1bw4 n GLY 75 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.95 3.51 0.03 4.61 0.00 -1.25 -4.86 121.76 120.84 1bw4 s ALA 76 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 1bw4 s ALA 76 Cb 0.00 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 1bw4 s ALA 76 CO 0.00 0.44 -0.00 1.14 0.00 0.00 0.00 175.76 177.34 1bw4 s GLN 77 N -2.52 0.43 0.13 0.00 1.03 -1.26 -0.66 119.66 116.81 1bw4 s GLN 77 Ca 0.46 -0.77 -0.03 0.00 0.04 0.00 0.00 55.36 55.06 1bw4 s GLN 77 Cb -0.13 0.16 -0.03 0.00 0.03 0.00 0.00 33.01 33.04 1bw4 s GLN 77 CO 0.20 -0.08 0.10 -1.50 -2.54 0.00 0.00 175.29 171.46 1bw4 s ILE 78 N -2.23 0.10 -0.09 3.63 1.10 0.11 -5.00 121.20 118.83 1bw4 s ILE 78 Ca -0.09 -1.80 0.03 0.00 -0.51 0.00 0.00 60.65 58.29 1bw4 s ILE 78 Cb -0.04 -1.98 0.00 0.00 0.15 0.00 0.00 42.46 40.59 1bw4 s ILE 78 CO -0.04 -0.45 -0.20 -0.89 -2.11 0.00 0.00 174.94 171.25 1bw4 s THR 79 N -4.03 1.73 0.14 4.00 2.01 -1.26 -0.50 115.64 117.74 1bw4 s THR 79 Ca 0.22 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.45 1bw4 s THR 79 Cb 0.07 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 1bw4 s THR 79 CO 0.01 0.49 0.04 0.00 -0.69 0.00 0.00 174.62 174.47 1bw4 s ALA 80 N 0.43 3.35 -0.10 7.40 0.00 0.58 -4.55 121.76 128.88 1bw4 s ALA 80 Ca -0.17 -1.24 -0.23 0.00 0.00 0.00 0.00 51.96 50.33 1bw4 s ALA 80 Cb -0.17 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 1bw4 s ALA 80 CO 0.07 0.56 0.69 0.50 0.00 0.00 0.00 175.76 177.58 1bw4 s ARG 81 N -2.79 4.38 -0.60 0.00 3.00 -1.26 -0.27 118.95 121.42 1bw4 s ARG 81 Ca 0.28 0.83 -0.22 0.00 -1.00 0.00 0.00 55.73 55.62 1bw4 s ARG 81 Cb -0.10 -3.48 0.07 0.00 0.00 0.00 0.00 34.95 31.43 1bw4 s ARG 81 CO 0.20 -0.03 0.85 0.42 0.00 0.00 0.00 175.30 176.74 1bw4 s ILE 82 N 1.14 4.52 -0.07 4.11 1.01 0.83 0.14 121.20 132.90 1bw4 s ILE 82 Ca 0.35 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.57 1bw4 s ILE 82 Cb -0.17 -4.55 -0.04 0.00 0.01 0.00 0.00 42.46 37.71 1bw4 s ILE 82 CO 0.16 -1.21 -0.16 0.55 0.00 0.00 0.00 174.94 174.28 1bw4 n VAL 83 N 5.86 1.09 -4.60 2.92 3.14 -0.44 -2.48 118.33 123.83 1bw4 n VAL 83 Ca -0.04 0.11 -0.32 0.00 -2.96 0.00 0.00 64.34 61.12 1bw4 n VAL 83 Cb 0.45 -1.83 -0.06 0.00 -1.06 0.00 0.00 33.84 31.35 1bw4 n VAL 83 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1bw4 s ASP 84 N -6.03 4.26 -0.10 6.55 1.01 -1.11 -3.89 116.67 117.36 1bw4 s ASP 84 Ca -0.15 -1.61 0.00 0.00 0.71 0.00 0.00 52.55 51.50 1bw4 s ASP 84 Cb 0.04 0.64 0.02 0.00 1.01 0.00 0.00 42.92 44.63 1bw4 s ASP 84 CO 0.20 -0.97 -0.09 -1.58 0.21 0.00 0.00 175.17 172.94 1bw4 s GLN 85 N -3.99 1.62 0.45 8.23 0.74 -1.26 -0.10 119.66 125.35 1bw4 s GLN 85 Ca 0.08 -0.31 0.08 0.00 0.05 0.00 0.00 55.36 55.26 1bw4 s GLN 85 Cb -0.00 -1.58 0.02 0.00 1.10 0.00 0.00 33.01 32.55 1bw4 s GLN 85 CO 0.05 -0.19 0.59 0.00 -0.55 0.00 0.00 175.29 175.19 1bw4 n ALA 87 N -1.90 3.19 0.20 0.00 0.00 -1.26 -4.53 120.51 116.20 1bw4 n ALA 87 Ca 0.09 -2.93 0.02 0.00 0.00 0.00 0.00 53.44 50.62 1bw4 n ALA 87 Cb 0.60 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.37 0.41 -1.31 0.00 2.04 -1.26 -5.07 115.26 109.70 1bw4 n ASN 88 Ca 0.16 -0.57 0.00 0.00 -0.44 0.00 0.00 54.58 53.73 1bw4 n ASN 88 Cb 0.92 1.01 0.00 0.00 -2.53 0.00 0.00 39.78 39.18 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 1.16 -0.13 1.26 4.83 0.00 -1.25 -5.05 105.19 106.01 1bw4 n GLY 89 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.89 0.00 0.00 -0.02 0.00 -1.24 -4.91 105.19 98.13 1bw4 n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.69 0.00 -4.20 0.99 0.00 0.99 -2.76 117.00 109.32 1bw4 n LEU 91 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.87 1bw4 n LEU 91 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.33 1bw4 n LEU 91 CO 0.00 0.00 -0.17 1.51 0.00 0.00 0.00 177.39 178.73 1bw4 s ASP 92 N -1.15 0.52 -0.64 1.96 1.47 -1.17 -1.71 116.67 115.97 1bw4 s ASP 92 Ca 0.00 -1.45 0.05 0.00 1.18 0.00 0.00 52.55 52.33 1bw4 s ASP 92 Cb 0.00 0.44 0.30 0.00 -0.34 0.00 0.00 42.92 43.33 1bw4 s ASP 92 CO 0.00 -0.93 0.93 -0.11 0.68 0.00 0.00 175.17 175.74 1bw4 n LEU 93 N -0.37 4.41 0.00 2.11 0.00 -0.37 -0.07 117.00 122.71 1bw4 n LEU 93 Ca 0.03 -5.57 0.00 0.00 0.00 0.00 0.00 56.01 50.47 1bw4 n LEU 93 Cb 0.65 -0.65 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1bw4 n LEU 93 CO 0.32 2.21 0.00 -0.67 0.00 0.00 0.00 177.39 179.25 1bw4 n ASP 94 N 0.22 0.00 -2.74 1.96 -0.08 -0.43 -3.74 116.55 111.74 1bw4 n ASP 94 Ca 0.31 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.56 1bw4 n ASP 94 Cb 0.39 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.92 1bw4 n ASP 94 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 1bw4 n TRP 95 N 0.00 -0.07 -0.33 -0.67 -0.00 -1.25 -3.26 117.44 111.86 1bw4 n TRP 95 Ca 0.00 -2.17 0.00 0.00 -0.00 0.00 0.00 57.50 55.33 1bw4 n TRP 95 Cb 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 31.31 31.72 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 -0.69 -0.45 0.28 5.87 9.92 -1.26 -4.67 116.55 125.54 1bw4 n ASP 96 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1bw4 n ASP 96 Cb 0.83 -1.54 0.01 0.00 -0.64 0.00 0.00 41.12 39.78 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 0.00 0.00 -3.53 1.35 -1.96 0.49 112.91 109.26 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 0.08 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.51 1bw4 h THR 97 CO 0.00 0.00 -0.08 0.58 -0.25 0.00 0.00 175.52 175.77 1bw4 h VAL 98 N 0.00 0.00 0.94 6.82 2.07 -1.97 -3.35 116.25 120.77 1bw4 h VAL 98 Ca 0.00 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1bw4 h VAL 98 Cb 1.83 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1bw4 h VAL 98 CO 0.00 0.00 -0.45 0.15 0.02 0.00 0.00 177.57 177.29 1bw4 h PHE 99 N -0.32 -1.17 -0.14 1.57 3.57 -1.03 -1.93 116.94 117.50 1bw4 h PHE 99 Ca 0.00 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.50 1bw4 h PHE 99 Cb 0.08 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1bw4 h PHE 99 CO -0.03 -0.73 -0.05 0.25 -2.23 0.00 0.00 178.31 175.52 1bw4 n THR 100 N -5.60 -0.07 -0.07 4.41 -2.24 0.14 -0.61 114.28 110.24 1bw4 n THR 100 Ca -0.16 0.32 -0.10 0.00 -2.27 0.00 0.00 64.05 61.84 1bw4 n THR 100 Cb 0.50 -0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.24 1bw4 n THR 100 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1bw4 h LYS 101 N 0.00 0.00 0.00 -0.78 1.79 -1.68 -3.40 116.57 112.50 1bw4 h LYS 101 Ca 0.05 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.46 1bw4 h LYS 101 Cb 0.09 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1bw4 h LYS 101 CO -0.14 0.50 -0.30 -0.84 -1.08 0.00 0.00 179.45 177.59 1bw4 h ILE 102 N -1.00 1.07 -1.86 1.86 -0.00 -0.34 -3.38 117.51 113.86 1bw4 h ILE 102 Ca -0.08 -1.08 -0.67 0.00 -0.00 0.00 0.00 64.86 63.03 1bw4 h ILE 102 Cb 0.69 1.61 -0.15 0.00 -0.00 0.00 0.00 36.82 38.97 1bw4 h ILE 102 CO -0.05 0.30 1.19 -0.62 -0.00 0.00 0.00 178.15 178.97 1bw4 s ASP 103 N -6.74 6.65 -0.16 2.16 -1.08 0.22 -4.85 116.67 112.86 1bw4 s ASP 103 Ca -0.03 -1.99 0.05 0.00 -0.52 0.00 0.00 52.55 50.07 1bw4 s ASP 103 Cb 0.14 -2.47 0.38 0.00 -1.46 0.00 0.00 42.92 39.52 1bw4 s ASP 103 CO 0.69 -1.18 1.26 0.35 0.52 0.00 0.00 175.17 176.81 1bw4 n THR 104 N 5.91 1.66 0.00 1.71 -2.24 -1.26 -4.03 114.28 116.03 1bw4 n THR 104 Ca 0.30 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1bw4 n THR 104 Cb 0.49 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1bw4 n THR 104 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1bw4 n ASN 105 N 0.07 3.45 0.00 3.42 6.94 -1.26 -5.06 115.26 122.82 1bw4 n ASN 105 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.76 1bw4 n ASN 105 Cb 0.87 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.29 1bw4 n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw4 n GLY 106 N 3.27 2.85 0.02 4.83 0.00 -1.26 -4.92 105.19 109.99 1bw4 n GLY 106 Ca 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.04 -0.16 -0.61 2.08 -1.26 -0.98 119.36 118.39 1bw4 n ILE 107 Ca 0.00 0.14 -0.01 0.00 0.56 0.00 0.00 62.75 63.45 1bw4 n ILE 107 Cb 0.00 -0.18 0.01 0.00 -0.75 0.00 0.00 39.64 38.73 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 -1.02 -0.85 0.47 7.39 0.00 -1.26 -0.02 105.19 109.90 1bw4 n GLY 108 Ca 0.00 0.46 0.23 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.15 1.61 3.20 -1.49 0.15 116.97 120.29 1bw4 h TYR 109 Ca 0.14 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 1bw4 h TYR 109 Cb 0.24 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.44 1bw4 h TYR 109 CO -0.36 0.00 -0.44 1.04 -1.64 0.00 0.00 178.16 176.76 1bw4 n GLN 110 N -3.24 1.83 0.00 1.82 6.02 0.97 -4.94 117.38 119.84 1bw4 n GLN 110 Ca 0.16 -3.37 0.00 0.00 -0.01 0.00 0.00 57.00 53.78 1bw4 n GLN 110 Cb 1.23 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 30.77 1bw4 n GLN 110 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1bw4 n GLN 111 N -1.08 0.00 0.09 -1.09 7.27 0.51 -5.13 117.38 117.95 1bw4 n GLN 111 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.31 1bw4 n GLN 111 Cb 0.78 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.43 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 3.52 -1.46 3.44 1.69 0.00 -1.26 -5.15 105.19 105.98 1bw4 n GLY 112 Ca 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.00 0.71 0.26 1.61 -3.43 -1.26 -3.53 115.29 107.65 1bw4 s HIS 113 Ca 0.00 -1.01 0.02 0.00 -0.80 0.00 0.00 55.06 53.28 1bw4 s HIS 113 Cb 0.00 -0.10 -0.05 0.00 -1.43 0.00 0.00 32.58 31.00 1bw4 s HIS 113 CO 0.00 -0.88 0.06 -1.17 -2.00 0.00 0.00 174.74 170.75 1bw4 s LEU 114 N -3.09 1.93 -0.28 5.38 2.96 0.09 -4.92 118.68 120.74 1bw4 s LEU 114 Ca 0.29 -1.33 -0.03 0.00 -0.22 0.00 0.00 54.13 52.83 1bw4 s LEU 114 Cb 0.02 -0.15 0.03 0.00 0.50 0.00 0.00 46.19 46.59 1bw4 s LEU 114 CO 0.11 -0.64 0.01 0.21 -1.32 0.00 0.00 176.35 174.72 1bw4 s ASN 115 N -3.35 4.78 0.37 3.68 2.47 -1.26 -0.74 114.94 120.88 1bw4 s ASN 115 Ca 0.35 -0.98 0.05 0.00 0.42 0.00 0.00 52.86 52.70 1bw4 s ASN 115 Cb 0.07 -1.75 -0.03 0.00 -1.45 0.00 0.00 41.25 38.10 1bw4 s ASN 115 CO 0.12 -0.20 0.18 0.68 -3.72 0.00 0.00 177.10 174.17 1bw4 s VAL 116 N 1.35 0.34 -0.03 -5.21 -7.23 -1.06 -4.67 120.40 103.90 1bw4 s VAL 116 Ca -0.01 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.22 1bw4 s VAL 116 Cb -0.18 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 1bw4 s VAL 116 CO -0.01 0.00 -0.22 0.20 -0.31 0.00 0.00 175.10 174.76 1bw4 s ASN 117 N -3.49 2.61 -0.04 4.85 0.01 -0.65 -2.13 114.94 116.10 1bw4 s ASN 117 Ca 0.31 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 1bw4 s ASN 117 Cb 0.03 -0.51 0.03 0.00 0.41 0.00 0.00 41.25 41.21 1bw4 s ASN 117 CO 0.19 0.24 0.00 -0.72 -1.51 0.00 0.00 177.10 175.30 1bw4 s TYR 118 N -0.29 0.37 -0.08 2.20 -0.85 -0.09 -1.17 117.35 117.44 1bw4 s TYR 118 Ca 0.02 -0.01 0.03 0.00 -0.52 0.00 0.00 57.07 56.60 1bw4 s TYR 118 Cb -0.11 -0.48 0.00 0.00 0.38 0.00 0.00 41.96 41.76 1bw4 s TYR 118 CO 0.01 -0.16 -0.19 -0.65 -1.52 0.00 0.00 175.55 173.04 1bw4 s GLN 119 N 1.24 2.41 0.20 -3.49 -1.52 -0.67 -1.07 119.66 116.76 1bw4 s GLN 119 Ca -0.07 -0.67 -0.30 0.00 -1.95 0.00 0.00 55.36 52.37 1bw4 s GLN 119 Cb -0.13 -1.89 -0.09 0.00 -0.22 0.00 0.00 33.01 30.68 1bw4 s GLN 119 CO -0.02 0.13 1.43 -0.06 -0.25 0.00 0.00 175.29 176.51 1bw4 s PHE 120 N 0.45 3.11 0.03 0.91 0.40 0.17 -0.55 117.98 122.50 1bw4 s PHE 120 Ca -0.16 0.98 0.04 0.00 -0.60 0.00 0.00 56.93 57.20 1bw4 s PHE 120 Cb -0.17 -3.77 -0.02 0.00 0.51 0.00 0.00 43.02 39.57 1bw4 s PHE 120 CO 0.06 -2.59 -0.13 0.08 0.70 0.00 0.00 175.22 173.34 1bw4 s VAL 121 N 0.40 1.05 -0.55 -0.44 1.01 0.43 -4.83 120.40 117.47 1bw4 s VAL 121 Ca 0.61 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 1bw4 s VAL 121 Cb -0.40 -0.94 0.05 0.00 0.00 0.00 0.00 36.38 35.10 1bw4 s VAL 121 CO 0.38 0.06 0.80 -1.81 0.00 0.00 0.00 175.10 174.54 1bw4 s ASP 122 N -0.92 6.26 0.40 3.32 1.11 -1.26 0.64 116.67 126.22 1bw4 s ASP 122 Ca 0.02 -0.71 0.26 0.00 0.18 0.00 0.00 52.55 52.29 1bw4 s ASP 122 Cb -0.07 -2.37 0.70 0.00 1.07 0.00 0.00 42.92 42.25 1bw4 s ASP 122 CO 0.01 -1.11 1.73 0.00 1.18 0.00 0.00 175.17 176.97 1bw4 n ARG 124 N -2.85 -0.88 0.00 0.00 0.00 -1.24 -5.08 116.66 106.61 1bw4 n ARG 124 Ca 0.04 0.07 0.14 0.00 -0.00 0.00 0.00 57.85 58.09 1bw4 n ARG 124 Cb 0.44 -2.27 0.53 0.00 0.00 0.00 0.00 32.46 31.16 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16