#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw3 s GLN 2 N 0.00 3.13 0.01 3.49 -1.52 -1.26 -3.89 119.66 119.61 1bw3 s GLN 2 Ca 0.00 -0.54 0.01 0.00 -1.95 0.00 0.00 55.36 52.87 1bw3 s GLN 2 Cb 0.00 -2.88 -0.01 0.00 -0.22 0.00 0.00 33.01 29.91 1bw3 s GLN 2 CO 0.00 0.61 -0.03 0.00 -0.25 0.00 0.00 175.29 175.62 1bw3 s ALA 3 N -1.38 0.20 0.29 6.09 0.00 -0.53 -4.93 121.76 121.50 1bw3 s ALA 3 Ca 0.29 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.06 1bw3 s ALA 3 Cb -0.12 -0.00 -0.06 0.00 0.00 0.00 0.00 23.12 22.93 1bw3 s ALA 3 CO 0.22 0.00 0.02 -0.80 0.00 0.00 0.00 175.76 175.19 1bw3 s ASN 4 N -0.43 2.37 -0.52 0.00 0.01 -1.26 -0.47 114.94 114.64 1bw3 s ASN 4 Ca -0.03 -1.30 -0.09 0.00 -0.71 0.00 0.00 52.86 50.74 1bw3 s ASN 4 Cb -0.03 -0.09 0.01 0.00 0.41 0.00 0.00 41.25 41.55 1bw3 s ASN 4 CO -0.00 -0.52 0.32 0.47 -1.51 0.00 0.00 177.10 175.86 1bw3 n ASP 5 N -0.61 -2.27 -4.50 -1.22 8.00 -0.99 -4.89 116.55 110.07 1bw3 n ASP 5 Ca -0.04 -0.58 -0.32 0.00 0.71 0.00 0.00 54.79 54.56 1bw3 n ASP 5 Cb 0.65 -0.81 -0.12 0.00 -0.02 0.00 0.00 41.12 40.82 1bw3 n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bw3 s VAL 6 N -3.31 3.17 0.07 2.53 1.01 -0.25 -4.87 120.40 118.75 1bw3 s VAL 6 Ca 0.12 -0.80 -0.33 0.00 0.00 0.00 0.00 61.98 60.97 1bw3 s VAL 6 Cb -0.07 -2.29 -0.12 0.00 0.00 0.00 0.00 36.38 33.91 1bw3 s VAL 6 CO 0.48 0.51 1.77 -2.11 0.00 0.00 0.00 175.10 175.74 1bw3 n ARG 7 N 2.01 2.42 -4.02 2.72 1.85 -1.26 -2.93 116.66 117.45 1bw3 n ARG 7 Ca -0.17 0.88 -0.34 0.00 -1.00 0.00 0.00 57.85 57.23 1bw3 n ARG 7 Cb 0.52 -2.72 -0.15 0.00 -1.05 0.00 0.00 32.46 29.06 1bw3 n ARG 7 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1bw3 s ALA 8 N 2.56 2.60 0.31 2.89 0.00 0.71 -4.95 121.76 125.87 1bw3 s ALA 8 Ca 0.84 -1.51 0.11 0.00 0.00 0.00 0.00 51.96 51.39 1bw3 s ALA 8 Cb -0.60 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 1bw3 s ALA 8 CO 0.42 -0.85 -0.13 -0.08 0.00 0.00 0.00 175.76 175.12 1bw3 s THR 9 N 1.25 2.49 -0.62 0.00 -1.32 -1.26 -0.09 115.64 116.09 1bw3 s THR 9 Ca -0.02 -2.26 -0.16 0.00 -1.21 0.00 0.00 61.69 58.04 1bw3 s THR 9 Cb -0.17 -2.51 0.14 0.00 -1.51 0.00 0.00 72.50 68.45 1bw3 s THR 9 CO -0.06 -0.31 0.62 -0.31 -2.21 0.00 0.00 174.62 172.35 1bw3 s TYR 10 N -2.53 3.28 -0.36 9.09 1.51 -1.26 -4.74 117.35 122.35 1bw3 s TYR 10 Ca 0.31 -1.35 0.14 0.00 -1.01 0.00 0.00 57.07 55.17 1bw3 s TYR 10 Cb -0.02 -3.87 0.41 0.00 -0.11 0.00 0.00 41.96 38.37 1bw3 s TYR 10 CO 0.16 -1.09 0.86 1.58 -1.11 0.00 0.00 175.55 175.95 1bw3 n HIS 11 N 5.30 0.94 -2.26 2.71 -0.00 -1.26 -5.07 115.22 115.57 1bw3 n HIS 11 Ca -0.06 -3.28 -0.25 0.00 0.46 0.00 0.00 57.72 54.58 1bw3 n HIS 11 Cb 0.42 -0.39 0.07 0.00 -0.12 0.00 0.00 29.99 29.97 1bw3 n HIS 11 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1bw3 s TYR 12 N -2.86 2.85 0.00 1.57 2.02 -1.26 -4.37 117.35 115.30 1bw3 s TYR 12 Ca 0.34 0.36 0.00 0.00 -0.37 0.00 0.00 57.07 57.40 1bw3 s TYR 12 Cb 0.40 -3.15 0.00 0.00 -0.40 0.00 0.00 41.96 38.81 1bw3 s TYR 12 CO -0.03 -1.38 0.00 0.66 -1.57 0.00 0.00 175.55 173.24 1bw3 n TYR 13 N -2.86 0.00 -3.36 2.71 4.01 0.62 -5.00 117.16 113.28 1bw3 n TYR 13 Ca 0.08 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.56 1bw3 n TYR 13 Cb 0.60 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.56 1bw3 n TYR 13 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1bw3 n ARG 14 N 0.00 2.30 -0.02 -0.72 1.74 -1.26 -4.80 116.66 113.90 1bw3 n ARG 14 Ca 0.00 -4.46 -0.03 0.00 -0.77 0.00 0.00 57.85 52.59 1bw3 n ARG 14 Cb 0.00 -2.10 -0.02 0.00 -1.02 0.00 0.00 32.46 29.32 1bw3 n ARG 14 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1bw3 h PRO 15 N 4.06 -0.10 -0.67 5.56 0.11 -1.98 -1.61 132.00 137.37 1bw3 h PRO 15 Ca 0.18 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.39 1bw3 h PRO 15 Cb 0.69 0.02 -0.12 0.00 0.11 0.00 0.00 31.00 31.70 1bw3 h PRO 15 CO 0.78 -0.06 -0.44 0.00 -0.21 0.00 0.00 178.00 178.07 1bw3 h ALA 16 N -1.09 -0.26 -0.48 -0.75 0.00 -1.95 -2.63 119.26 112.11 1bw3 h ALA 16 Ca 0.01 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1bw3 h ALA 16 Cb 0.13 0.99 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1bw3 h ALA 16 CO -0.11 -0.80 -0.18 0.94 0.00 0.00 0.00 179.25 179.10 1bw3 n GLN 17 N -5.40 -0.10 -1.83 0.00 -0.06 -0.61 0.83 117.38 110.20 1bw3 n GLN 17 Ca 0.03 0.74 -0.34 0.00 -2.00 0.00 0.00 57.00 55.43 1bw3 n GLN 17 Cb 0.35 -1.10 0.04 0.00 -4.06 0.00 0.00 30.24 25.47 1bw3 n GLN 17 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1bw3 n ASN 18 N -4.72 6.75 -1.81 1.69 4.05 -1.01 -4.91 115.26 115.30 1bw3 n ASN 18 Ca 0.05 -3.79 0.00 0.00 0.45 0.00 0.00 54.58 51.29 1bw3 n ASN 18 Cb 0.20 -0.83 0.00 0.00 1.23 0.00 0.00 39.78 40.38 1bw3 n ASN 18 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1bw3 n ASN 19 N -0.68 -0.63 -3.31 1.20 5.15 0.24 0.52 115.26 117.75 1bw3 n ASN 19 Ca 0.53 0.31 -0.19 0.00 -0.60 0.00 0.00 54.58 54.63 1bw3 n ASN 19 Cb 0.55 -0.70 0.08 0.00 -0.53 0.00 0.00 39.78 39.18 1bw3 n ASN 19 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1bw3 n TRP 20 N -1.71 -2.36 -1.70 1.20 7.02 -1.06 -4.86 117.44 113.97 1bw3 n TRP 20 Ca 0.00 0.91 -0.38 0.00 -1.02 0.00 0.00 57.50 57.01 1bw3 n TRP 20 Cb 0.31 -4.81 -0.02 0.00 -2.42 0.00 0.00 31.31 24.37 1bw3 n TRP 20 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1bw3 n ASP 21 N -2.83 8.17 0.00 -0.99 -0.08 0.18 -4.61 116.55 116.40 1bw3 n ASP 21 Ca -0.13 -2.92 0.00 0.00 -1.51 0.00 0.00 54.79 50.23 1bw3 n ASP 21 Cb 0.61 -1.43 0.00 0.00 2.34 0.00 0.00 41.12 42.64 1bw3 n ASP 21 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1bw3 n LEU 22 N 2.37 0.00 -1.27 -2.67 4.77 -1.26 0.31 117.00 119.25 1bw3 n LEU 22 Ca 0.67 0.26 0.08 0.00 -0.03 0.00 0.00 56.01 56.99 1bw3 n LEU 22 Cb 0.27 -0.26 0.28 0.00 -2.33 0.00 0.00 43.42 41.39 1bw3 n LEU 22 CO 0.72 -0.26 0.72 0.61 -1.33 0.00 0.00 177.39 177.85 1bw3 n GLY 23 N -1.24 2.08 3.71 -0.72 0.00 -1.26 -1.46 105.19 106.31 1bw3 n GLY 23 Ca 0.00 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1bw3 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 s ALA 24 N -1.70 3.22 0.22 4.61 0.00 0.15 -4.67 121.76 123.58 1bw3 s ALA 24 Ca 0.40 0.44 -0.06 0.00 0.00 0.00 0.00 51.96 52.74 1bw3 s ALA 24 Cb 0.25 -3.28 0.36 0.00 0.00 0.00 0.00 23.12 20.45 1bw3 s ALA 24 CO 0.20 -0.26 1.21 -0.35 0.00 0.00 0.00 175.76 176.57 1bw3 n PRO 25 N 4.02 -0.07 0.31 0.00 -0.04 -1.26 -0.20 135.00 137.76 1bw3 n PRO 25 Ca 0.05 1.21 0.20 0.00 -0.04 0.00 0.00 63.50 64.92 1bw3 n PRO 25 Cb 0.51 -1.81 1.08 0.00 -0.04 0.00 0.00 33.50 33.24 1bw3 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 h ALA 26 N 1.55 1.04 0.00 0.55 0.00 -1.96 -3.31 119.26 117.13 1bw3 h ALA 26 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1bw3 h ALA 26 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1bw3 h ALA 26 CO -0.80 -0.04 -0.19 0.28 0.00 0.00 0.00 179.25 178.50 1bw3 n VAL 27 N -2.93 0.95 -2.72 0.00 0.31 0.72 -5.06 118.33 109.59 1bw3 n VAL 27 Ca -0.03 0.28 -0.15 0.00 -0.01 0.00 0.00 64.34 64.44 1bw3 n VAL 27 Cb 0.11 -1.61 0.01 0.00 -0.91 0.00 0.00 33.84 31.44 1bw3 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw3 n SER 28 N -3.41 -2.42 -4.90 4.52 3.41 0.08 -4.92 113.62 105.99 1bw3 n SER 28 Ca -0.03 -0.30 -0.29 0.00 -0.26 0.00 0.00 58.87 57.99 1bw3 n SER 28 Cb 0.10 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.26 1bw3 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw3 s ALA 29 N -1.70 3.52 0.02 7.33 0.00 -0.53 -4.99 121.76 125.42 1bw3 s ALA 29 Ca 0.08 -0.47 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 1bw3 s ALA 29 Cb -0.01 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.66 1bw3 s ALA 29 CO 0.42 0.10 0.59 0.98 0.00 0.00 0.00 175.76 177.85 1bw3 n TYR 30 N -1.21 -0.07 1.07 0.00 4.19 -1.25 -0.05 117.16 119.85 1bw3 n TYR 30 Ca -0.00 0.19 0.14 0.00 3.31 0.00 0.00 57.90 61.54 1bw3 n TYR 30 Cb 0.54 -0.34 0.61 0.00 0.49 0.00 0.00 39.34 40.64 1bw3 n TYR 30 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw3 h ALA 32 N 3.08 0.71 -1.03 0.00 0.00 -0.69 0.68 119.26 122.01 1bw3 h ALA 32 Ca 0.00 0.30 0.27 0.00 0.00 0.00 0.00 54.91 55.48 1bw3 h ALA 32 Cb 0.47 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 1bw3 h ALA 32 CO 0.00 -0.43 0.69 1.15 0.00 0.00 0.00 179.25 180.66 1bw3 h THR 33 N 0.03 0.53 0.00 0.00 2.02 -1.68 -0.15 112.91 113.66 1bw3 h THR 33 Ca 0.43 -0.09 -0.17 0.00 0.77 0.00 0.00 66.41 67.35 1bw3 h THR 33 Cb 0.74 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1bw3 h THR 33 CO -0.81 0.05 -1.61 0.79 0.37 0.00 0.00 175.52 174.31 1bw3 n TRP 34 N -4.47 0.00 0.07 3.16 8.01 0.51 -4.77 117.44 119.95 1bw3 n TRP 34 Ca 0.24 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.37 1bw3 n TRP 34 Cb 0.94 -0.41 -0.09 0.00 -2.01 0.00 0.00 31.31 29.74 1bw3 n TRP 34 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1bw3 h ASP 35 N -0.18 0.00 0.25 -0.99 5.19 0.16 -3.28 116.42 117.57 1bw3 h ASP 35 Ca -0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1bw3 h ASP 35 Cb 1.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1bw3 h ASP 35 CO -0.10 0.89 0.00 0.00 -3.12 0.00 0.00 179.24 176.92 1bw3 n ALA 36 N -2.34 1.70 0.04 3.45 0.00 -0.07 -1.36 120.51 121.94 1bw3 n ALA 36 Ca -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1bw3 n ALA 36 Cb 0.90 -1.20 -0.09 0.00 0.00 0.00 0.00 19.45 19.07 1bw3 n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bw3 h SER 37 N 0.00 0.00 -3.47 0.00 4.64 -1.73 -3.46 113.55 109.53 1bw3 h SER 37 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1bw3 h SER 37 Cb 0.12 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.35 1bw3 h SER 37 CO 0.00 0.73 0.36 0.29 -0.87 0.00 0.00 176.83 177.34 1bw3 n LYS 38 N -3.04 1.58 -1.65 4.77 4.76 -0.46 -4.90 118.16 119.23 1bw3 n LYS 38 Ca -0.09 0.57 -0.40 0.00 -2.87 0.00 0.00 58.31 55.53 1bw3 n LYS 38 Cb 0.89 -2.28 0.03 0.00 -1.84 0.00 0.00 35.03 31.83 1bw3 n LYS 38 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1bw3 n PRO 39 N -0.22 1.40 -0.23 1.97 -0.04 -1.26 -4.74 135.00 131.88 1bw3 n PRO 39 Ca 0.09 0.51 -0.04 0.00 -0.04 0.00 0.00 63.50 64.01 1bw3 n PRO 39 Cb 0.41 -2.21 0.01 0.00 -0.04 0.00 0.00 33.50 31.67 1bw3 n PRO 39 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bw3 h LEU 40 N 1.37 -1.18 -0.63 1.53 3.38 -1.92 -2.32 115.31 115.54 1bw3 h LEU 40 Ca -0.47 0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.79 1bw3 h LEU 40 Cb 1.33 0.60 -0.08 0.00 0.09 0.00 0.00 40.66 42.60 1bw3 h LEU 40 CO 0.56 -0.30 -0.37 -1.20 0.09 0.00 0.00 178.44 177.22 1bw3 n SER 41 N -5.44 -0.67 0.03 -0.43 7.64 -1.26 -0.84 113.62 112.66 1bw3 n SER 41 Ca 0.05 1.16 -0.13 0.00 1.01 0.00 0.00 58.87 60.96 1bw3 n SER 41 Cb 0.36 -0.16 -0.09 0.00 -1.01 0.00 0.00 64.21 63.31 1bw3 n SER 41 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1bw3 h TRP 42 N 0.00 -0.06 -0.88 1.43 7.01 -1.78 0.81 115.95 122.47 1bw3 h TRP 42 Ca 0.10 -0.00 0.16 0.00 2.11 0.00 0.00 58.89 61.26 1bw3 h TRP 42 Cb 0.26 0.02 -0.16 0.00 -2.10 0.00 0.00 29.16 27.18 1bw3 h TRP 42 CO -0.68 0.23 -0.28 0.00 -2.79 0.00 0.00 178.44 174.92 1bw3 h ARG 43 N -0.36 -0.02 0.00 2.65 3.08 -0.67 0.59 114.38 119.65 1bw3 h ARG 43 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1bw3 h ARG 43 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1bw3 h ARG 43 CO 0.01 -0.01 -0.62 0.66 -1.07 0.00 0.00 179.97 178.94 1bw3 h SER 44 N -0.02 0.00 -0.34 7.04 4.64 -1.00 -3.33 113.55 120.53 1bw3 h SER 44 Ca 0.38 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.61 1bw3 h SER 44 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1bw3 h SER 44 CO -0.91 0.07 -0.15 0.50 -0.87 0.00 0.00 176.83 175.47 1bw3 h LYS 45 N 0.00 0.71 -6.94 4.77 3.64 0.13 -3.44 116.57 115.43 1bw3 h LYS 45 Ca -0.01 -0.30 -0.45 0.00 -1.27 0.00 0.00 60.65 58.61 1bw3 h LYS 45 Cb 1.06 -0.02 0.06 0.00 -0.41 0.00 0.00 32.23 32.92 1bw3 h LYS 45 CO 0.01 0.90 0.02 0.71 -2.27 0.00 0.00 179.45 178.82 1bw3 s TYR 46 N -4.65 2.19 0.00 1.91 1.51 -0.30 -5.08 117.35 112.93 1bw3 s TYR 46 Ca -0.13 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1bw3 s TYR 46 Cb 0.09 -2.82 0.00 0.00 -0.11 0.00 0.00 41.96 39.13 1bw3 s TYR 46 CO 0.81 -1.26 0.00 0.41 -1.11 0.00 0.00 175.55 174.40 1bw3 n GLY 47 N -2.55 -1.93 3.08 0.71 0.00 -1.18 -4.90 105.19 98.41 1bw3 n GLY 47 Ca 0.12 -1.14 0.03 0.00 0.00 0.00 0.00 46.02 45.03 1bw3 n GLY 47 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bw3 s TRP 48 N 0.00 -1.17 0.06 1.61 -0.00 -1.26 -4.75 118.94 113.44 1bw3 s TRP 48 Ca 0.00 0.43 0.03 0.00 -0.00 0.00 0.00 56.10 56.56 1bw3 s TRP 48 Cb 0.00 0.21 -0.03 0.00 -0.00 0.00 0.00 33.47 33.65 1bw3 s TRP 48 CO 0.00 -0.74 -0.08 -0.08 -0.00 0.00 0.00 176.95 176.05 1bw3 s THR 49 N 2.39 0.67 0.15 5.86 -1.32 -1.18 0.16 115.64 122.37 1bw3 s THR 49 Ca 0.17 -1.36 0.07 0.00 -1.21 0.00 0.00 61.69 59.36 1bw3 s THR 49 Cb -0.03 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 1bw3 s THR 49 CO -0.17 -0.50 -0.02 0.00 -2.21 0.00 0.00 174.62 171.72 1bw3 s ALA 50 N -1.99 3.18 -0.08 11.08 0.00 -1.24 -0.91 121.76 131.79 1bw3 s ALA 50 Ca -0.03 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.63 1bw3 s ALA 50 Cb -0.06 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.08 1bw3 s ALA 50 CO -0.01 0.54 -0.08 0.12 0.00 0.00 0.00 175.76 176.34 1bw3 s PHE 51 N -1.59 1.25 -0.17 0.00 5.36 0.31 -3.39 117.98 119.75 1bw3 s PHE 51 Ca 0.26 -0.51 -0.24 0.00 -0.96 0.00 0.00 56.93 55.48 1bw3 s PHE 51 Cb -0.10 -1.03 -0.21 0.00 -0.34 0.00 0.00 43.02 41.34 1bw3 s PHE 51 CO 0.18 -0.36 0.47 0.00 -1.46 0.00 0.00 175.22 174.05 1bw3 n GLY 53 N 1.54 0.00 0.38 0.00 0.00 -1.26 -4.79 105.19 101.05 1bw3 n GLY 53 Ca -0.19 0.00 0.16 0.00 0.00 0.00 0.00 46.02 45.98 1bw3 n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bw3 h PRO 54 N 0.00 0.37 0.00 1.61 0.13 -2.02 -3.43 132.00 128.66 1bw3 h PRO 54 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1bw3 h PRO 54 Cb 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.05 1bw3 h PRO 54 CO 0.00 0.24 0.00 0.00 -0.23 0.00 0.00 178.00 178.01 1bw3 n ALA 55 N -2.53 0.00 -3.34 -0.56 0.00 -1.26 -5.00 120.51 107.82 1bw3 n ALA 55 Ca 0.14 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.11 1bw3 n ALA 55 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 1bw3 n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bw3 s GLY 56 N 0.00 2.64 0.40 0.00 0.00 -1.25 -4.82 107.32 104.29 1bw3 s GLY 56 Ca 0.00 -3.30 -0.25 0.00 0.00 0.00 0.00 44.72 41.17 1bw3 s GLY 56 CO 0.00 1.25 1.20 2.56 0.00 0.00 0.00 173.10 178.11 1bw3 s PRO 57 N 0.21 4.02 -0.38 2.90 0.04 -1.26 -4.87 135.00 135.66 1bw3 s PRO 57 Ca 0.17 1.91 0.05 0.00 0.04 0.00 0.00 61.00 63.17 1bw3 s PRO 57 Cb -0.11 -2.68 0.45 0.00 0.04 0.00 0.00 34.50 32.19 1bw3 s PRO 57 CO -0.08 -0.37 1.29 -2.13 0.04 0.00 0.00 177.00 175.74 1bw3 n ARG 58 N 0.07 3.46 0.00 4.56 3.00 -1.26 -5.03 116.66 121.45 1bw3 n ARG 58 Ca 0.04 -4.13 0.00 0.00 -0.00 0.00 0.00 57.85 53.76 1bw3 n ARG 58 Cb 0.46 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.64 1bw3 n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bw3 n GLY 59 N -0.68 0.00 0.03 5.14 0.00 -1.26 -0.74 105.19 107.68 1bw3 n GLY 59 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 1bw3 n GLY 59 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1bw3 h GLN 60 N 0.00 -0.06 -0.55 1.61 4.20 -2.03 -3.24 115.11 115.04 1bw3 h GLN 60 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bw3 h GLN 60 Cb 0.00 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1bw3 h GLN 60 CO 0.00 -0.04 0.00 0.00 -0.67 0.00 0.00 178.83 178.12 1bw3 n ALA 61 N -2.06 1.45 -0.03 3.87 0.00 0.08 -1.48 120.51 122.34 1bw3 n ALA 61 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 1bw3 n ALA 61 Cb 0.03 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 1bw3 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n ALA 62 N 0.47 2.03 1.27 0.00 0.00 -0.26 -4.49 120.51 119.53 1bw3 n ALA 62 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1bw3 n ALA 62 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1bw3 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n GLY 64 N 0.22 1.40 3.40 0.00 0.00 -1.26 -4.93 105.19 104.02 1bw3 n GLY 64 Ca 0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1bw3 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bw3 s LYS 65 N -0.57 1.46 0.08 1.61 -0.14 -0.69 -4.82 119.74 116.67 1bw3 s LYS 65 Ca 0.08 -1.52 0.06 0.00 -1.36 0.00 0.00 55.97 53.23 1bw3 s LYS 65 Cb 0.08 -1.67 -0.04 0.00 -1.68 0.00 0.00 37.83 34.52 1bw3 s LYS 65 CO -0.01 0.35 -0.08 0.00 -0.76 0.00 0.00 175.35 174.86 1bw3 s LEU 67 N -2.08 3.79 -0.31 0.00 1.43 0.53 -0.20 118.68 121.83 1bw3 s LEU 67 Ca 0.21 -0.02 -0.20 0.00 -1.03 0.00 0.00 54.13 53.10 1bw3 s LEU 67 Cb -0.11 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1bw3 s LEU 67 CO 0.13 0.05 0.60 -0.60 0.23 0.00 0.00 176.35 176.75 1bw3 s ARG 68 N 1.16 3.87 -0.11 1.70 3.52 0.50 -0.47 118.95 129.12 1bw3 s ARG 68 Ca 0.06 0.21 0.01 0.00 -0.13 0.00 0.00 55.73 55.88 1bw3 s ARG 68 Cb -0.14 -3.74 -0.01 0.00 -1.56 0.00 0.00 34.95 29.50 1bw3 s ARG 68 CO 0.04 -0.56 -0.15 0.08 -0.81 0.00 0.00 175.30 173.90 1bw3 s VAL 69 N 2.54 2.92 0.14 7.11 1.01 -0.76 -1.52 120.40 131.84 1bw3 s VAL 69 Ca 0.24 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.57 1bw3 s VAL 69 Cb -0.15 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1bw3 s VAL 69 CO 0.12 0.54 -0.17 -0.89 0.00 0.00 0.00 175.10 174.70 1bw3 s THR 70 N 0.17 1.57 -0.21 3.92 2.01 -0.72 -0.46 115.64 121.92 1bw3 s THR 70 Ca -0.08 -1.77 -0.03 0.00 0.31 0.00 0.00 61.69 60.11 1bw3 s THR 70 Cb -0.15 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 1bw3 s THR 70 CO 0.05 -0.33 -0.07 0.21 -0.69 0.00 0.00 174.62 173.79 1bw3 s ASN 71 N -2.47 4.13 0.06 3.53 3.84 0.11 -1.61 114.94 122.54 1bw3 s ASN 71 Ca 0.11 -0.42 -0.28 0.00 0.21 0.00 0.00 52.86 52.48 1bw3 s ASN 71 Cb -0.06 -1.70 -0.17 0.00 -0.55 0.00 0.00 41.25 38.77 1bw3 s ASN 71 CO 0.05 -0.01 1.57 -0.65 -2.79 0.00 0.00 177.10 175.27 1bw3 h PRO 72 N 8.01 -0.52 -0.71 0.43 0.11 -1.88 0.68 132.00 138.12 1bw3 h PRO 72 Ca -0.41 0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.87 1bw3 h PRO 72 Cb 1.16 0.12 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 1bw3 h PRO 72 CO 0.61 -0.30 0.24 0.00 -0.21 0.00 0.00 178.00 178.34 1bw3 h ALA 73 N -0.04 0.95 0.04 -0.75 0.00 -1.95 -3.23 119.26 114.29 1bw3 h ALA 73 Ca -0.05 0.13 -0.36 0.00 0.00 0.00 0.00 54.91 54.62 1bw3 h ALA 73 Cb 0.45 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1bw3 h ALA 73 CO 0.09 -0.25 -2.09 0.25 0.00 0.00 0.00 179.25 177.25 1bw3 n THR 74 N -5.06 1.61 0.00 0.00 -2.24 -1.24 -4.99 114.28 102.36 1bw3 n THR 74 Ca 0.13 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1bw3 n THR 74 Cb 0.40 -1.73 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 1bw3 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw3 n GLY 75 N 1.83 0.92 3.85 3.38 0.00 0.23 -5.07 105.19 110.33 1bw3 n GLY 75 Ca -0.40 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 1bw3 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 s ALA 76 N -2.00 3.20 0.06 4.61 0.00 -1.24 -4.74 121.76 121.65 1bw3 s ALA 76 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 1bw3 s ALA 76 Cb 0.00 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.20 1bw3 s ALA 76 CO 0.00 -0.00 0.27 1.14 0.00 0.00 0.00 175.76 177.17 1bw3 s GLN 77 N -3.65 0.83 0.06 0.00 -2.07 -1.26 0.09 119.66 113.65 1bw3 s GLN 77 Ca 0.56 -0.66 -0.01 0.00 -1.82 0.00 0.00 55.36 53.44 1bw3 s GLN 77 Cb -0.10 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 1bw3 s GLN 77 CO 0.26 -0.27 -0.03 -1.50 -1.32 0.00 0.00 175.29 172.43 1bw3 s ILE 78 N -3.01 0.27 -0.34 3.63 1.10 0.39 -4.92 121.20 118.32 1bw3 s ILE 78 Ca -0.02 -1.83 -0.09 0.00 -0.51 0.00 0.00 60.65 58.20 1bw3 s ILE 78 Cb 0.01 -1.59 0.01 0.00 0.15 0.00 0.00 42.46 41.05 1bw3 s ILE 78 CO -0.06 -0.94 0.16 -0.89 -2.11 0.00 0.00 174.94 171.10 1bw3 s THR 79 N -3.90 4.39 0.50 4.00 2.01 -1.26 -1.83 115.64 119.55 1bw3 s THR 79 Ca 0.09 -0.72 0.08 0.00 0.31 0.00 0.00 61.69 61.46 1bw3 s THR 79 Cb 0.08 -3.35 0.05 0.00 0.01 0.00 0.00 72.50 69.28 1bw3 s THR 79 CO -0.08 -0.08 0.68 0.00 -0.69 0.00 0.00 174.62 174.45 1bw3 s ALA 80 N 1.55 4.57 -0.05 7.40 0.00 0.38 -3.12 121.76 132.49 1bw3 s ALA 80 Ca 0.03 -1.87 0.03 0.00 0.00 0.00 0.00 51.96 50.15 1bw3 s ALA 80 Cb -0.18 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1bw3 s ALA 80 CO 0.05 -0.58 -0.14 1.03 0.00 0.00 0.00 175.76 176.13 1bw3 s ARG 81 N -4.52 1.62 -0.50 0.00 3.00 -1.26 -0.35 118.95 116.94 1bw3 s ARG 81 Ca 0.58 -0.49 -0.27 0.00 0.00 0.00 0.00 55.73 55.55 1bw3 s ARG 81 Cb -0.08 -1.39 -0.03 0.00 0.00 0.00 0.00 34.95 33.45 1bw3 s ARG 81 CO 0.36 0.14 1.90 0.42 0.00 0.00 0.00 175.30 178.13 1bw3 s ILE 82 N 0.29 3.36 -0.20 1.52 1.01 -0.76 -3.12 121.20 123.29 1bw3 s ILE 82 Ca -0.08 0.28 -0.16 0.00 0.00 0.00 0.00 60.65 60.69 1bw3 s ILE 82 Cb -0.13 -3.73 -0.08 0.00 0.01 0.00 0.00 42.46 38.54 1bw3 s ILE 82 CO 0.03 -0.63 -0.31 0.52 0.00 0.00 0.00 174.94 174.55 1bw3 n VAL 83 N 7.37 1.50 -4.48 2.92 0.31 -0.09 -4.70 118.33 121.17 1bw3 n VAL 83 Ca 0.23 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.34 1bw3 n VAL 83 Cb 0.51 -2.22 -0.05 0.00 -0.91 0.00 0.00 33.84 31.17 1bw3 n VAL 83 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1bw3 n ASP 84 N -4.42 2.10 -3.61 4.52 2.03 -1.24 -2.20 116.55 113.74 1bw3 n ASP 84 Ca -0.25 -2.68 -0.18 0.00 0.52 0.00 0.00 54.79 52.20 1bw3 n ASP 84 Cb 0.60 0.53 -0.03 0.00 -0.72 0.00 0.00 41.12 41.50 1bw3 n ASP 84 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1bw3 n GLN 85 N -0.83 1.20 -1.63 -0.67 -0.06 -1.26 -0.53 117.38 113.59 1bw3 n GLN 85 Ca -0.10 -2.14 -0.40 0.00 -2.00 0.00 0.00 57.00 52.35 1bw3 n GLN 85 Cb 0.48 0.48 -0.02 0.00 -4.06 0.00 0.00 30.24 27.12 1bw3 n GLN 85 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1bw3 n ALA 87 N 3.72 1.20 0.04 0.00 0.00 -1.26 -4.92 120.51 119.30 1bw3 n ALA 87 Ca 0.66 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1bw3 n ALA 87 Cb 0.28 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1bw3 n ALA 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw3 n ASN 88 N -4.16 0.58 -4.96 0.00 0.23 -1.26 -5.12 115.26 100.57 1bw3 n ASN 88 Ca -0.53 0.12 -0.23 0.00 -0.53 0.00 0.00 54.58 53.41 1bw3 n ASN 88 Cb 0.89 -0.15 0.02 0.00 -2.08 0.00 0.00 39.78 38.47 1bw3 n ASN 88 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1bw3 s GLY 89 N -4.47 2.07 -0.40 4.83 0.00 -1.26 -5.05 107.32 103.03 1bw3 s GLY 89 Ca 0.00 -1.68 0.06 0.00 0.00 0.00 0.00 44.72 43.10 1bw3 s GLY 89 CO 0.00 -1.81 0.42 0.61 0.00 0.00 0.00 173.10 172.32 1bw3 n GLY 90 N -1.97 2.48 0.00 0.20 0.00 -1.26 -4.36 105.19 100.28 1bw3 n GLY 90 Ca 0.06 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1bw3 n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bw3 n LEU 91 N 2.18 0.00 0.00 0.99 7.94 -1.22 -4.41 117.00 122.48 1bw3 n LEU 91 Ca 0.26 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.16 1bw3 n LEU 91 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 1bw3 n LEU 91 CO 0.13 0.00 0.00 -0.90 -1.11 0.00 0.00 177.39 175.51 1bw3 n ASP 92 N 0.00 0.00 0.07 1.96 5.75 -1.25 -3.72 116.55 119.36 1bw3 n ASP 92 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.70 1bw3 n ASP 92 Cb 0.00 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.15 1bw3 n ASP 92 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1bw3 h LEU 93 N 0.54 0.33 0.00 -2.12 4.07 0.12 -3.39 115.31 114.85 1bw3 h LEU 93 Ca 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1bw3 h LEU 93 Cb 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1bw3 h LEU 93 CO 0.00 0.94 0.00 -0.90 -1.08 0.00 0.00 178.44 177.40 1bw3 n ASP 94 N -3.80 0.00 0.00 -0.43 5.75 -1.24 -0.27 116.55 116.55 1bw3 n ASP 94 Ca -0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 1bw3 n ASP 94 Cb 0.70 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 1bw3 n ASP 94 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1bw3 n TRP 95 N -0.10 0.00 0.23 2.11 -0.00 -1.26 -4.68 117.44 113.74 1bw3 n TRP 95 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.54 1bw3 n TRP 95 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.26 1bw3 n TRP 95 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1bw3 n ASP 96 N -0.46 1.32 -0.10 5.87 2.03 -1.26 -3.93 116.55 120.00 1bw3 n ASP 96 Ca 0.00 -0.45 -0.22 0.00 0.52 0.00 0.00 54.79 54.64 1bw3 n ASP 96 Cb 0.04 1.11 -0.12 0.00 -0.72 0.00 0.00 41.12 41.43 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1bw3 h THR 97 N 0.00 0.92 0.00 5.18 1.35 -1.92 -3.42 112.91 115.02 1bw3 h THR 97 Ca 0.00 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 1bw3 h THR 97 Cb 0.23 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1bw3 h THR 97 CO 0.00 0.31 0.00 0.52 -0.25 0.00 0.00 175.52 176.10 1bw3 n VAL 98 N -4.43 0.00 0.00 6.82 0.31 -1.26 -4.64 118.33 115.12 1bw3 n VAL 98 Ca -0.32 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1bw3 n VAL 98 Cb 0.68 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 1bw3 n VAL 98 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1bw3 n PHE 99 N -1.69 0.00 0.00 3.52 -0.00 -1.26 -3.38 117.46 114.64 1bw3 n PHE 99 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1bw3 n PHE 99 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1bw3 n PHE 99 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1bw3 n THR 100 N 0.00 0.00 -0.01 -2.13 -2.24 -1.25 -0.71 114.28 107.93 1bw3 n THR 100 Ca 0.00 0.29 -0.05 0.00 -2.27 0.00 0.00 64.05 62.02 1bw3 n THR 100 Cb 0.00 -1.21 -0.12 0.00 -2.10 0.00 0.00 70.33 66.90 1bw3 n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bw3 n LYS 101 N -0.75 0.64 0.00 -0.78 4.76 -1.22 -4.18 118.16 116.64 1bw3 n LYS 101 Ca 0.00 0.21 0.13 0.00 -2.87 0.00 0.00 58.31 55.77 1bw3 n LYS 101 Cb 0.29 -1.75 0.34 0.00 -1.84 0.00 0.00 35.03 32.06 1bw3 n LYS 101 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1bw3 n ILE 102 N -2.91 0.00 -4.34 -0.18 -5.35 0.11 -4.73 119.36 101.95 1bw3 n ILE 102 Ca -0.16 -0.08 -0.27 0.00 -0.27 0.00 0.00 62.75 61.97 1bw3 n ILE 102 Cb 0.97 0.33 -0.17 0.00 -1.74 0.00 0.00 39.64 39.03 1bw3 n ILE 102 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1bw3 s ASP 103 N -2.68 2.25 -0.16 7.28 -4.77 -1.25 -4.01 116.67 113.32 1bw3 s ASP 103 Ca 0.20 -0.38 0.05 0.00 -3.30 0.00 0.00 52.55 49.12 1bw3 s ASP 103 Cb 0.19 -0.98 0.40 0.00 -1.09 0.00 0.00 42.92 41.43 1bw3 s ASP 103 CO 0.58 -0.01 1.25 0.35 0.70 0.00 0.00 175.17 178.04 1bw3 n THR 104 N 4.31 1.66 -2.76 2.11 -2.24 -1.26 -4.30 114.28 111.80 1bw3 n THR 104 Ca -0.18 -0.81 -0.05 0.00 -2.27 0.00 0.00 64.05 60.74 1bw3 n THR 104 Cb 0.51 -0.50 0.02 0.00 -2.10 0.00 0.00 70.33 68.26 1bw3 n THR 104 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1bw3 n ASN 105 N 0.10 -3.32 -1.67 3.42 6.94 -1.26 -5.03 115.26 114.44 1bw3 n ASN 105 Ca 0.20 -3.02 -0.01 0.00 -0.02 0.00 0.00 54.58 51.73 1bw3 n ASN 105 Cb 0.86 1.78 -0.01 0.00 -2.36 0.00 0.00 39.78 40.05 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw3 n GLY 106 N 2.60 2.00 0.37 4.83 0.00 -1.26 -4.34 105.19 109.39 1bw3 n GLY 106 Ca 0.16 -0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.27 1bw3 n GLY 106 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1bw3 h ILE 107 N 1.34 0.65 0.00 -0.61 1.08 -1.96 0.86 117.51 118.88 1bw3 h ILE 107 Ca 0.01 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1bw3 h ILE 107 Cb 0.76 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 1bw3 h ILE 107 CO 0.02 0.11 0.00 1.23 -0.69 0.00 0.00 178.15 178.83 1bw3 h GLY 108 N 0.62 0.00 -0.24 5.37 0.00 -1.89 -3.37 103.07 103.56 1bw3 h GLY 108 Ca 0.57 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.96 1bw3 h GLY 108 CO -0.34 0.00 -0.03 2.98 0.00 0.00 0.00 176.54 179.15 1bw3 n TYR 109 N -2.82 0.12 -1.15 5.60 4.19 0.30 -4.46 117.16 118.93 1bw3 n TYR 109 Ca -0.02 0.30 -0.30 0.00 3.31 0.00 0.00 57.90 61.19 1bw3 n TYR 109 Cb 0.10 -0.66 0.23 0.00 0.49 0.00 0.00 39.34 39.50 1bw3 n TYR 109 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 1bw3 s GLN 110 N -5.17 -0.84 -0.25 2.98 -0.21 -1.26 -4.85 119.66 110.06 1bw3 s GLN 110 Ca -0.03 0.00 -0.40 0.00 0.02 0.00 0.00 55.36 54.95 1bw3 s GLN 110 Cb 0.07 -1.63 -0.16 0.00 1.00 0.00 0.00 33.01 32.29 1bw3 s GLN 110 CO 0.19 -3.47 1.70 1.04 -2.12 0.00 0.00 175.29 172.63 1bw3 n GLN 111 N -4.60 1.11 0.00 2.91 6.02 -1.26 -4.64 117.38 116.91 1bw3 n GLN 111 Ca 0.12 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 1bw3 n GLN 111 Cb 0.59 -2.08 0.00 0.00 1.02 0.00 0.00 30.24 29.77 1bw3 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bw3 n GLY 112 N 4.02 0.22 3.24 1.08 0.00 -1.26 -5.13 105.19 107.37 1bw3 n GLY 112 Ca 0.26 0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 1bw3 n GLY 112 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bw3 n HIS 113 N 0.00 -2.94 -2.83 1.61 -0.00 -1.26 -4.80 115.22 104.99 1bw3 n HIS 113 Ca 0.00 0.41 -0.20 0.00 -0.00 0.00 0.00 57.72 57.93 1bw3 n HIS 113 Cb 0.00 -1.68 0.02 0.00 -0.00 0.00 0.00 29.99 28.33 1bw3 n HIS 113 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1bw3 s LEU 114 N 4.95 3.46 -0.32 2.41 2.96 0.87 -4.77 118.68 128.25 1bw3 s LEU 114 Ca 0.56 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 54.32 1bw3 s LEU 114 Cb -0.46 -2.84 0.04 0.00 0.50 0.00 0.00 46.19 43.43 1bw3 s LEU 114 CO 0.67 -0.95 0.05 0.21 -1.32 0.00 0.00 176.35 175.01 1bw3 s ASN 115 N -4.37 5.08 0.29 3.68 2.47 -1.26 -0.21 114.94 120.62 1bw3 s ASN 115 Ca 0.55 -1.15 0.03 0.00 0.42 0.00 0.00 52.86 52.71 1bw3 s ASN 115 Cb -0.10 -1.80 -0.06 0.00 -1.45 0.00 0.00 41.25 37.85 1bw3 s ASN 115 CO 0.36 -0.28 0.07 0.68 -3.72 0.00 0.00 177.10 174.21 1bw3 s VAL 116 N 1.35 0.92 -0.01 -5.21 -7.23 -1.15 -4.55 120.40 104.52 1bw3 s VAL 116 Ca -0.03 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.20 1bw3 s VAL 116 Cb -0.19 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 1bw3 s VAL 116 CO 0.01 -0.04 -0.19 0.20 -0.31 0.00 0.00 175.10 174.77 1bw3 s ASN 117 N -3.39 3.68 -0.05 4.85 0.01 -0.63 -1.09 114.94 118.31 1bw3 s ASN 117 Ca 0.36 -0.36 -0.03 0.00 -0.71 0.00 0.00 52.86 52.12 1bw3 s ASN 117 Cb 0.08 -0.62 0.03 0.00 0.41 0.00 0.00 41.25 41.15 1bw3 s ASN 117 CO 0.14 0.30 0.13 -0.72 -1.51 0.00 0.00 177.10 175.44 1bw3 s TYR 118 N -0.77 -0.14 0.07 2.20 -0.85 0.38 -1.75 117.35 116.48 1bw3 s TYR 118 Ca 0.12 0.38 0.06 0.00 -0.52 0.00 0.00 57.07 57.11 1bw3 s TYR 118 Cb -0.10 -0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.18 1bw3 s TYR 118 CO 0.02 -0.11 -0.15 -0.65 -1.52 0.00 0.00 175.55 173.13 1bw3 s GLN 119 N 0.64 0.90 -0.09 -3.49 -1.52 -0.58 -1.46 119.66 114.07 1bw3 s GLN 119 Ca -0.05 -0.93 -0.28 0.00 -1.95 0.00 0.00 55.36 52.15 1bw3 s GLN 119 Cb -0.06 -0.94 -0.02 0.00 -0.22 0.00 0.00 33.01 31.76 1bw3 s GLN 119 CO -0.03 0.22 0.92 -0.06 -0.25 0.00 0.00 175.29 176.09 1bw3 s PHE 120 N -1.14 3.54 0.30 0.91 0.40 -1.26 -0.37 117.98 120.36 1bw3 s PHE 120 Ca 0.00 1.50 0.04 0.00 -0.60 0.00 0.00 56.93 57.86 1bw3 s PHE 120 Cb -0.09 -3.08 -0.04 0.00 0.51 0.00 0.00 43.02 40.33 1bw3 s PHE 120 CO 0.02 -0.13 0.19 0.08 0.70 0.00 0.00 175.22 176.08 1bw3 s VAL 121 N 1.60 0.18 0.34 -0.44 1.01 0.71 -4.89 120.40 118.93 1bw3 s VAL 121 Ca 0.45 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.37 1bw3 s VAL 121 Cb -0.18 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1bw3 s VAL 121 CO 0.19 0.00 0.64 -1.81 0.00 0.00 0.00 175.10 174.13 1bw3 s ASP 122 N -3.35 6.45 0.17 3.32 1.01 -1.26 -0.23 116.67 122.79 1bw3 s ASP 122 Ca 0.37 0.86 0.10 0.00 0.71 0.00 0.00 52.55 54.58 1bw3 s ASP 122 Cb 0.04 -2.21 -0.10 0.00 1.01 0.00 0.00 42.92 41.67 1bw3 s ASP 122 CO 0.19 -0.30 1.35 0.00 0.21 0.00 0.00 175.17 176.62 1bw3 n ARG 124 N -3.34 -0.62 0.00 0.00 1.85 -1.26 -5.08 116.66 108.21 1bw3 n ARG 124 Ca 0.00 -0.20 0.14 0.00 -1.00 0.00 0.00 57.85 56.80 1bw3 n ARG 124 Cb 0.86 -0.96 0.54 0.00 -1.05 0.00 0.00 32.46 31.85 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15