#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 2.97 0.05 5.31 0.74 -1.26 -1.34 119.66 126.13 1bw3 s GLN 2 Ca 0.00 -0.83 0.08 0.00 0.05 0.00 0.00 55.36 54.66 1bw3 s GLN 2 Cb 0.00 -2.48 -0.03 0.00 1.10 0.00 0.00 33.01 31.60 1bw3 s GLN 2 CO 0.00 -0.11 -0.22 0.00 -0.55 0.00 0.00 175.29 174.41 1bw3 s ALA 3 N 1.06 1.85 0.19 1.58 0.00 -0.14 -4.83 121.76 121.46 1bw3 s ALA 3 Ca -0.01 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 50.88 1bw3 s ALA 3 Cb -0.14 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1bw3 s ALA 3 CO -0.07 0.42 -0.06 -0.80 0.00 0.00 0.00 175.76 175.24 1bw3 s ASN 4 N -1.24 1.88 -0.43 0.00 0.01 -1.26 -0.58 114.94 113.32 1bw3 s ASN 4 Ca 0.08 -1.11 -0.01 0.00 -0.71 0.00 0.00 52.86 51.12 1bw3 s ASN 4 Cb -0.09 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.56 1bw3 s ASN 4 CO 0.02 -0.40 0.31 0.47 -1.51 0.00 0.00 177.10 175.99 1bw3 n ASP 5 N -0.32 -2.51 -4.61 -1.22 8.00 -0.65 -4.89 116.55 110.36 1bw3 n ASP 5 Ca -0.08 -0.51 -0.27 0.00 0.71 0.00 0.00 54.79 54.65 1bw3 n ASP 5 Cb 0.62 -0.83 -0.09 0.00 -0.02 0.00 0.00 41.12 40.80 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 -2.48 3.43 -0.30 2.53 1.01 0.22 -4.87 120.40 119.94 1bw3 s VAL 6 Ca 0.00 -1.56 -0.25 0.00 0.00 0.00 0.00 61.98 60.18 1bw3 s VAL 6 Cb -0.00 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1bw3 s VAL 6 CO 0.47 -0.12 0.86 -0.13 0.00 0.00 0.00 175.10 176.18 1bw3 s ARG 7 N -2.90 4.02 -0.11 2.72 0.52 -1.26 -2.01 118.95 119.93 1bw3 s ARG 7 Ca 0.26 0.75 0.01 0.00 -0.52 0.00 0.00 55.73 56.23 1bw3 s ARG 7 Cb -0.09 -3.72 -0.01 0.00 0.52 0.00 0.00 34.95 31.65 1bw3 s ARG 7 CO 0.17 -0.71 -0.15 0.00 0.02 0.00 0.00 175.30 174.63 1bw3 s ALA 8 N 3.09 2.54 0.09 2.13 0.00 -0.09 -4.65 121.76 124.87 1bw3 s ALA 8 Ca 0.36 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1bw3 s ALA 8 Cb -0.14 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1bw3 s ALA 8 CO 0.12 0.30 -0.06 0.95 0.00 0.00 0.00 175.76 177.07 1bw3 s THR 9 N 0.18 0.64 0.34 0.00 -4.23 -1.26 -0.03 115.64 111.29 1bw3 s THR 9 Ca -0.09 -1.80 0.09 0.00 -1.18 0.00 0.00 61.69 58.70 1bw3 s THR 9 Cb -0.15 -1.52 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 1bw3 s THR 9 CO 0.05 -0.81 0.07 -0.72 -0.54 0.00 0.00 174.62 172.67 1bw3 s TYR 10 N -3.32 2.62 0.06 3.99 -0.85 -1.25 -3.25 117.35 115.33 1bw3 s TYR 10 Ca 0.08 -0.42 -0.01 0.00 -0.52 0.00 0.00 57.07 56.20 1bw3 s TYR 10 Cb 0.03 -1.58 0.00 0.00 0.38 0.00 0.00 41.96 40.80 1bw3 s TYR 10 CO -0.04 0.41 0.09 -2.39 -1.52 0.00 0.00 175.55 172.09 1bw3 n HIS 11 N -1.05 -0.77 -3.32 -3.49 1.44 -1.21 -5.04 115.22 101.79 1bw3 n HIS 11 Ca -0.04 -0.34 -0.12 0.00 -2.01 0.00 0.00 57.72 55.22 1bw3 n HIS 11 Cb 0.62 0.10 -0.06 0.00 0.12 0.00 0.00 29.99 30.77 1bw3 n HIS 11 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1bw3 s TYR 12 N -5.65 -0.73 0.00 -1.40 -0.85 -1.26 -3.92 117.35 103.54 1bw3 s TYR 12 Ca 0.04 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 1bw3 s TYR 12 Cb -0.00 -0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.13 1bw3 s TYR 12 CO 0.03 -1.02 0.00 0.66 -1.52 0.00 0.00 175.55 173.70 1bw3 n TYR 13 N 4.45 0.00 -3.58 -3.49 4.02 -1.26 -4.96 117.16 112.34 1bw3 n TYR 13 Ca 0.10 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.69 1bw3 n TYR 13 Cb 0.48 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.67 1bw3 n TYR 13 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1bw3 s ARG 14 N 0.02 0.76 0.70 -0.72 0.52 -1.26 -5.06 118.95 113.92 1bw3 s ARG 14 Ca 0.00 -1.43 -0.12 0.00 -0.52 0.00 0.00 55.73 53.66 1bw3 s ARG 14 Cb 0.00 -1.70 0.18 0.00 0.52 0.00 0.00 34.95 33.95 1bw3 s ARG 14 CO 0.00 -1.15 0.53 -0.35 0.02 0.00 0.00 175.30 174.35 1bw3 n PRO 15 N 4.10 -2.71 -0.14 3.54 -0.04 -1.26 0.64 135.00 139.13 1bw3 n PRO 15 Ca 0.07 -0.86 0.13 0.00 -0.04 0.00 0.00 63.50 62.81 1bw3 n PRO 15 Cb 0.37 -0.92 0.20 0.00 -0.04 0.00 0.00 33.50 33.12 1bw3 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 n ALA 16 N -4.19 0.47 -0.31 0.55 0.00 -1.26 -1.54 120.51 114.23 1bw3 n ALA 16 Ca -0.11 0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 1bw3 n ALA 16 Cb 0.31 -0.28 0.06 0.00 0.00 0.00 0.00 19.45 19.54 1bw3 n ALA 16 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1bw3 h GLN 17 N 0.00 -0.04 -1.55 0.00 1.08 -1.99 1.17 115.11 113.78 1bw3 h GLN 17 Ca 0.23 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.76 1bw3 h GLN 17 Cb 1.16 0.01 -0.34 0.00 -0.05 0.00 0.00 27.48 28.26 1bw3 h GLN 17 CO -0.00 -0.03 0.27 -1.71 -0.95 0.00 0.00 178.83 176.41 1bw3 n ASN 18 N -5.49 6.40 -4.19 1.46 2.85 -0.59 -4.89 115.26 110.81 1bw3 n ASN 18 Ca 0.10 -3.78 -0.30 0.00 -0.11 0.00 0.00 54.58 50.48 1bw3 n ASN 18 Cb 0.40 -0.78 -0.07 0.00 1.24 0.00 0.00 39.78 40.57 1bw3 n ASN 18 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1bw3 n ASN 19 N -0.60 0.26 -2.22 1.20 5.15 0.40 -4.00 115.26 115.44 1bw3 n ASN 19 Ca 0.50 -1.20 -0.02 0.00 -0.60 0.00 0.00 54.58 53.26 1bw3 n ASN 19 Cb 0.52 -2.05 -0.02 0.00 -0.53 0.00 0.00 39.78 37.70 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 -4.55 -3.70 0.00 1.20 5.03 -1.11 -4.62 117.44 109.69 1bw3 n TRP 20 Ca -0.31 2.18 0.00 0.00 3.03 0.00 0.00 57.50 62.40 1bw3 n TRP 20 Cb 0.69 -3.45 0.00 0.00 -1.03 0.00 0.00 31.31 27.52 1bw3 n TRP 20 CO 0.00 0.00 0.00 -3.47 -0.03 0.00 0.00 177.69 174.19 1bw3 n ASP 21 N 1.40 0.00 -0.01 -0.99 -0.08 0.21 -2.37 116.55 114.71 1bw3 n ASP 21 Ca -0.18 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1bw3 n ASP 21 Cb 0.28 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.74 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 -3.14 -0.02 -0.05 -2.67 7.99 -1.26 0.17 117.00 118.02 1bw3 n LEU 22 Ca 0.00 0.06 -0.16 0.00 -0.01 0.00 0.00 56.01 55.91 1bw3 n LEU 22 Cb 0.00 -0.01 -0.07 0.00 -0.11 0.00 0.00 43.42 43.23 1bw3 n LEU 22 CO 0.00 -0.06 0.39 1.23 -1.51 0.00 0.00 177.39 177.44 1bw3 h GLY 23 N 0.00 0.76 -5.71 -0.72 0.00 -1.73 -3.32 103.07 92.36 1bw3 h GLY 23 Ca 0.01 -0.99 -0.33 0.00 0.00 0.00 0.00 47.33 46.03 1bw3 h GLY 23 CO -0.04 0.88 1.59 0.00 0.00 0.00 0.00 176.54 178.97 1bw3 n ALA 24 N -2.56 0.70 -0.26 3.60 0.00 0.44 -4.71 120.51 117.72 1bw3 n ALA 24 Ca -0.06 -0.52 0.30 0.00 0.00 0.00 0.00 53.44 53.16 1bw3 n ALA 24 Cb 0.62 -1.92 0.47 0.00 0.00 0.00 0.00 19.45 18.62 1bw3 n ALA 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1bw3 h PRO 25 N 9.26 0.00 -0.00 0.00 0.10 -1.88 0.26 132.00 139.74 1bw3 h PRO 25 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.11 1bw3 h PRO 25 Cb 0.97 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.07 1bw3 h PRO 25 CO 1.26 0.00 -0.08 0.00 0.10 0.00 0.00 178.00 179.29 1bw3 n ALA 26 N -2.30 2.52 0.01 -0.75 0.00 -1.26 -4.47 120.51 114.26 1bw3 n ALA 26 Ca 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 1bw3 n ALA 26 Cb 1.58 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 1bw3 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bw3 n VAL 27 N -1.48 1.24 -2.92 0.00 0.31 0.91 -5.10 118.33 111.30 1bw3 n VAL 27 Ca 0.07 0.31 -0.25 0.00 -0.01 0.00 0.00 64.34 64.46 1bw3 n VAL 27 Cb 0.33 -1.77 0.03 0.00 -0.91 0.00 0.00 33.84 31.52 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 -3.72 -4.49 -4.73 4.52 3.41 -1.20 -4.97 113.62 102.44 1bw3 n SER 28 Ca -0.04 -0.04 -0.31 0.00 -0.26 0.00 0.00 58.87 58.21 1bw3 n SER 28 Cb 0.17 -1.25 0.11 0.00 -0.26 0.00 0.00 64.21 62.97 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 -1.08 2.01 0.00 7.33 0.00 -1.25 -4.81 121.76 123.96 1bw3 s ALA 29 Ca 0.25 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1bw3 s ALA 29 Cb -0.03 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1bw3 s ALA 29 CO 0.56 -2.06 0.00 0.66 0.00 0.00 0.00 175.76 174.92 1bw3 n TYR 30 N -3.60 0.00 -1.02 0.00 4.01 -1.26 -0.24 117.16 115.04 1bw3 n TYR 30 Ca 0.10 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.92 1bw3 n TYR 30 Cb 0.52 -0.38 0.25 0.00 -0.31 0.00 0.00 39.34 39.42 1bw3 n TYR 30 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bw3 n ALA 32 N -0.60 1.80 0.09 0.00 0.00 0.66 0.15 120.51 122.61 1bw3 n ALA 32 Ca 0.22 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.65 1bw3 n ALA 32 Cb 0.89 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 1bw3 n ALA 32 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1bw3 h THR 33 N 0.00 0.38 0.00 0.00 2.02 -1.81 -3.37 112.91 110.14 1bw3 h THR 33 Ca 0.00 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 65.53 1bw3 h THR 33 Cb 0.27 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1bw3 h THR 33 CO 0.00 0.22 -0.86 0.79 0.37 0.00 0.00 175.52 176.04 1bw3 n TRP 34 N -2.92 0.00 0.19 3.16 8.01 -0.73 -4.81 117.44 120.34 1bw3 n TRP 34 Ca -0.03 0.00 0.09 0.00 -1.31 0.00 0.00 57.50 56.25 1bw3 n TRP 34 Cb 0.70 0.05 0.12 0.00 -2.01 0.00 0.00 31.31 30.17 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 0.00 0.00 0.00 -0.99 5.19 -0.57 -3.26 116.42 116.79 1bw3 h ASP 35 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1bw3 h ASP 35 Cb 0.86 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.37 1bw3 h ASP 35 CO 0.00 0.17 0.21 0.00 -3.12 0.00 0.00 179.24 176.50 1bw3 n ALA 36 N -2.14 0.64 1.18 3.45 0.00 -1.19 -0.05 120.51 122.41 1bw3 n ALA 36 Ca 0.03 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.65 1bw3 n ALA 36 Cb 0.60 -0.70 0.50 0.00 0.00 0.00 0.00 19.45 19.85 1bw3 n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bw3 n SER 37 N -1.56 0.40 -4.90 0.00 3.41 -1.23 -4.86 113.62 104.87 1bw3 n SER 37 Ca -0.00 -0.24 -0.28 0.00 -0.26 0.00 0.00 58.87 58.09 1bw3 n SER 37 Cb 0.22 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1bw3 n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1bw3 s LYS 38 N -2.75 3.22 1.18 4.33 1.02 0.93 -5.08 119.74 122.58 1bw3 s LYS 38 Ca 0.20 0.25 -0.19 0.00 0.02 0.00 0.00 55.97 56.25 1bw3 s LYS 38 Cb 0.19 -2.24 0.28 0.00 -0.52 0.00 0.00 37.83 35.55 1bw3 s LYS 38 CO 0.55 -0.57 1.15 -1.25 -0.92 0.00 0.00 175.35 174.31 1bw3 s PRO 39 N -5.00 -1.07 0.15 -1.68 0.04 -1.26 -4.99 135.00 121.20 1bw3 s PRO 39 Ca 0.53 -0.19 -0.14 0.00 0.04 0.00 0.00 61.00 61.24 1bw3 s PRO 39 Cb -0.11 -1.63 0.03 0.00 0.04 0.00 0.00 34.50 32.84 1bw3 s PRO 39 CO 0.47 -3.59 1.69 -0.07 0.04 0.00 0.00 177.00 175.55 1bw3 h LEU 40 N -2.49 0.71 0.00 -3.56 3.38 -1.98 -3.32 115.31 108.06 1bw3 h LEU 40 Ca -0.44 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1bw3 h LEU 40 Cb 1.28 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1bw3 h LEU 40 CO 0.32 0.71 0.00 -1.54 0.09 0.00 0.00 178.44 178.02 1bw3 n SER 41 N -4.52 0.00 -0.20 -0.43 3.41 -1.26 -1.14 113.62 109.48 1bw3 n SER 41 Ca 0.02 0.59 -0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1bw3 n SER 41 Cb 0.18 -0.10 0.08 0.00 -0.26 0.00 0.00 64.21 64.10 1bw3 n SER 41 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1bw3 h TRP 42 N 0.00 -0.23 -0.31 7.33 7.01 -1.95 -0.28 115.95 127.52 1bw3 h TRP 42 Ca 0.00 0.05 0.06 0.00 2.11 0.00 0.00 58.89 61.11 1bw3 h TRP 42 Cb 0.00 0.20 -0.08 0.00 -2.10 0.00 0.00 29.16 27.17 1bw3 h TRP 42 CO -0.19 -0.23 -0.41 0.00 -2.79 0.00 0.00 178.44 174.81 1bw3 h ARG 43 N 0.04 -0.36 -0.34 2.65 3.08 -1.52 -0.06 114.38 117.87 1bw3 h ARG 43 Ca 0.31 0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.28 1bw3 h ARG 43 Cb 0.48 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1bw3 h ARG 43 CO -0.60 -0.24 -0.20 0.66 -1.07 0.00 0.00 179.97 178.52 1bw3 h SER 44 N -0.37 0.64 0.00 7.04 4.64 -0.66 -3.31 113.55 121.53 1bw3 h SER 44 Ca 0.12 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1bw3 h SER 44 Cb 0.59 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1bw3 h SER 44 CO -0.51 0.84 0.00 1.17 -0.87 0.00 0.00 176.83 177.46 1bw3 n LYS 45 N -4.13 0.00 -3.92 4.77 4.81 -0.16 -4.95 118.16 114.57 1bw3 n LYS 45 Ca 0.00 0.52 -0.15 0.00 -0.87 0.00 0.00 58.31 57.81 1bw3 n LYS 45 Cb 0.40 -1.36 -0.05 0.00 0.02 0.00 0.00 35.03 34.04 1bw3 n LYS 45 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bw3 n TYR 46 N -1.86 -1.13 -2.92 5.64 4.01 -0.15 -4.82 117.16 115.93 1bw3 n TYR 46 Ca 0.00 -2.36 -0.11 0.00 -0.16 0.00 0.00 57.90 55.27 1bw3 n TYR 46 Cb 0.00 0.42 0.06 0.00 -0.31 0.00 0.00 39.34 39.51 1bw3 n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bw3 n GLY 47 N -0.56 -0.06 2.65 2.72 0.00 -1.24 -4.40 105.19 104.30 1bw3 n GLY 47 Ca 0.03 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1bw3 n GLY 47 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1bw3 n TRP 48 N -3.05 -2.85 -3.70 1.61 -0.00 -0.19 -4.52 117.44 104.74 1bw3 n TRP 48 Ca -0.17 -2.06 -0.09 0.00 -0.00 0.00 0.00 57.50 55.18 1bw3 n TRP 48 Cb 0.60 1.24 -0.02 0.00 -0.00 0.00 0.00 31.31 33.13 1bw3 n TRP 48 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 1bw3 s THR 49 N 0.38 0.00 -0.20 5.87 -1.32 0.49 -4.22 115.64 116.63 1bw3 s THR 49 Ca 0.32 -0.64 -0.04 0.00 -1.21 0.00 0.00 61.69 60.13 1bw3 s THR 49 Cb 0.22 -1.63 -0.01 0.00 -1.51 0.00 0.00 72.50 69.56 1bw3 s THR 49 CO -0.22 -0.00 -0.04 0.00 -2.21 0.00 0.00 174.62 172.14 1bw3 s ALA 50 N -3.86 2.86 -0.09 11.08 0.00 -1.25 -0.79 121.76 129.72 1bw3 s ALA 50 Ca 0.07 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 1bw3 s ALA 50 Cb -0.04 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 1bw3 s ALA 50 CO -0.00 -0.25 0.09 -0.59 0.00 0.00 0.00 175.76 175.00 1bw3 s PHE 51 N 1.18 3.40 -0.47 0.00 -0.12 0.55 -3.55 117.98 118.97 1bw3 s PHE 51 Ca 0.02 0.36 0.06 0.00 -0.05 0.00 0.00 56.93 57.32 1bw3 s PHE 51 Cb -0.14 -1.85 0.29 0.00 -0.63 0.00 0.00 43.02 40.68 1bw3 s PHE 51 CO -0.01 0.62 1.04 0.00 -0.05 0.00 0.00 175.22 176.82 1bw3 s GLY 53 N -1.42 1.88 0.32 0.00 0.00 -1.26 -4.97 107.32 101.87 1bw3 s GLY 53 Ca 0.25 -1.92 0.02 0.00 0.00 0.00 0.00 44.72 43.08 1bw3 s GLY 53 CO -0.12 -1.89 1.87 -0.56 0.00 0.00 0.00 173.10 172.40 1bw3 h PRO 54 N 2.25 0.66 -6.13 2.90 0.13 -2.00 -3.43 132.00 126.39 1bw3 h PRO 54 Ca -0.40 -0.13 -0.68 0.00 -0.87 0.00 0.00 66.00 63.92 1bw3 h PRO 54 Cb 1.24 -0.10 -0.16 0.00 0.13 0.00 0.00 31.00 32.10 1bw3 h PRO 54 CO 0.67 0.62 -0.66 0.00 -0.23 0.00 0.00 178.00 178.39 1bw3 s ALA 55 N -5.13 3.15 0.00 -0.56 0.00 -1.26 -4.96 121.76 113.00 1bw3 s ALA 55 Ca -0.09 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1bw3 s ALA 55 Cb 0.16 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1bw3 s ALA 55 CO 0.78 0.60 0.00 0.41 0.00 0.00 0.00 175.76 177.55 1bw3 n GLY 56 N 1.88 0.51 3.55 0.00 0.00 -1.26 -4.54 105.19 105.33 1bw3 n GLY 56 Ca -0.17 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 1bw3 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw3 s PRO 57 N 0.00 2.44 0.05 1.61 0.05 -1.26 -4.81 135.00 133.09 1bw3 s PRO 57 Ca 0.00 0.93 -0.00 0.00 0.05 0.00 0.00 61.00 61.98 1bw3 s PRO 57 Cb 0.00 -4.46 -0.04 0.00 0.05 0.00 0.00 34.50 30.06 1bw3 s PRO 57 CO 0.00 -2.92 -0.04 0.50 0.05 0.00 0.00 177.00 174.59 1bw3 s ARG 58 N 7.47 0.58 0.00 4.56 3.52 -1.26 -5.00 118.95 128.82 1bw3 s ARG 58 Ca 0.79 -1.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 1bw3 s ARG 58 Cb -0.15 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.33 1bw3 s ARG 58 CO 0.23 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.06 1bw3 n GLY 59 N 0.47 1.57 0.09 8.12 0.00 -1.26 -5.03 105.19 109.15 1bw3 n GLY 59 Ca -0.16 -0.88 -0.01 0.00 0.00 0.00 0.00 46.02 44.96 1bw3 n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bw3 n GLN 60 N 0.00 -0.08 0.31 1.61 6.02 -1.26 -0.45 117.38 123.54 1bw3 n GLN 60 Ca 0.00 0.33 0.03 0.00 -0.01 0.00 0.00 57.00 57.36 1bw3 n GLN 60 Cb 0.00 -0.49 0.19 0.00 1.02 0.00 0.00 30.24 30.95 1bw3 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw3 h ALA 61 N 0.19 1.79 0.00 -1.58 0.00 -2.00 0.37 119.26 118.04 1bw3 h ALA 61 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1bw3 h ALA 61 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1bw3 h ALA 61 CO -0.21 -0.79 -1.45 0.00 0.00 0.00 0.00 179.25 176.80 1bw3 n ALA 62 N -1.56 2.81 -0.30 0.00 0.00 0.41 -4.55 120.51 117.31 1bw3 n ALA 62 Ca -0.00 -0.39 0.27 0.00 0.00 0.00 0.00 53.44 53.31 1bw3 n ALA 62 Cb 0.83 -0.93 0.46 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.32 5.90 3.59 0.00 0.00 -1.26 -4.54 105.19 107.57 1bw3 n GLY 64 Ca 0.28 -2.22 -0.28 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.57 2.05 0.40 1.61 1.02 0.10 -4.82 119.74 116.53 1bw3 s LYS 65 Ca 0.53 -2.28 0.07 0.00 0.02 0.00 0.00 55.97 54.31 1bw3 s LYS 65 Cb 0.43 -0.82 -0.08 0.00 -0.52 0.00 0.00 37.83 36.84 1bw3 s LYS 65 CO 0.01 -0.49 -0.00 0.00 -0.92 0.00 0.00 175.35 173.95 1bw3 s LEU 67 N -3.69 1.71 -0.15 0.00 1.43 -0.20 -1.34 118.68 116.43 1bw3 s LEU 67 Ca 0.35 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.95 1bw3 s LEU 67 Cb 0.09 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 1bw3 s LEU 67 CO 0.18 0.06 0.66 -0.60 0.23 0.00 0.00 176.35 176.88 1bw3 s ARG 68 N 0.46 4.30 -0.23 1.70 3.52 0.81 0.51 118.95 130.02 1bw3 s ARG 68 Ca -0.10 0.73 0.02 0.00 -0.13 0.00 0.00 55.73 56.25 1bw3 s ARG 68 Cb -0.13 -3.53 0.04 0.00 -1.56 0.00 0.00 34.95 29.77 1bw3 s ARG 68 CO 0.03 -0.13 -0.14 0.08 -0.81 0.00 0.00 175.30 174.32 1bw3 s VAL 69 N 1.51 2.14 0.16 7.11 1.01 -0.16 -1.01 120.40 131.16 1bw3 s VAL 69 Ca 0.32 -1.35 0.10 0.00 0.00 0.00 0.00 61.98 61.06 1bw3 s VAL 69 Cb -0.16 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1bw3 s VAL 69 CO 0.13 0.20 -0.21 -0.89 0.00 0.00 0.00 175.10 174.33 1bw3 s THR 70 N 1.18 2.60 -0.61 3.92 2.01 -0.49 -0.67 115.64 123.58 1bw3 s THR 70 Ca -0.03 -1.77 0.03 0.00 0.31 0.00 0.00 61.69 60.22 1bw3 s THR 70 Cb -0.17 -2.22 0.15 0.00 0.01 0.00 0.00 72.50 70.27 1bw3 s THR 70 CO -0.08 -0.01 0.39 0.21 -0.69 0.00 0.00 174.62 174.43 1bw3 s ASN 71 N -2.43 4.72 0.27 3.53 2.47 0.61 -1.96 114.94 122.16 1bw3 s ASN 71 Ca 0.19 -3.25 -0.04 0.00 0.42 0.00 0.00 52.86 50.19 1bw3 s ASN 71 Cb -0.09 -1.70 0.56 0.00 -1.45 0.00 0.00 41.25 38.57 1bw3 s ASN 71 CO 0.10 -0.21 1.60 -0.65 -3.72 0.00 0.00 177.10 174.21 1bw3 h PRO 72 N 6.28 0.05 -0.95 0.43 0.11 -1.85 0.23 132.00 136.30 1bw3 h PRO 72 Ca 0.00 -0.00 0.33 0.00 0.11 0.00 0.00 66.00 66.44 1bw3 h PRO 72 Cb 0.86 -0.01 -0.17 0.00 0.11 0.00 0.00 31.00 31.79 1bw3 h PRO 72 CO 0.71 0.03 0.25 0.00 -0.21 0.00 0.00 178.00 178.79 1bw3 n ALA 73 N -3.14 0.72 -0.02 -0.75 0.00 -1.26 -2.87 120.51 113.19 1bw3 n ALA 73 Ca 0.18 1.00 -0.02 0.00 0.00 0.00 0.00 53.44 54.59 1bw3 n ALA 73 Cb 0.58 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 1bw3 n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bw3 n THR 74 N -5.29 0.31 0.00 0.00 -2.24 0.25 -5.01 114.28 102.30 1bw3 n THR 74 Ca 0.29 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1bw3 n THR 74 Cb 0.97 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 2.78 0.36 3.75 3.38 0.00 0.54 -5.07 105.19 110.93 1bw3 n GLY 75 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 2.13 -0.11 4.61 0.00 -1.25 -4.72 121.76 120.42 1bw3 s ALA 76 Ca 0.00 0.43 -0.28 0.00 0.00 0.00 0.00 51.96 52.11 1bw3 s ALA 76 Cb 0.00 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 19.85 1bw3 s ALA 76 CO 0.00 -1.89 0.67 1.14 0.00 0.00 0.00 175.76 175.68 1bw3 s GLN 77 N -4.63 0.97 0.24 0.00 -2.07 -1.26 -0.28 119.66 112.62 1bw3 s GLN 77 Ca 0.64 0.44 0.01 0.00 -1.82 0.00 0.00 55.36 54.63 1bw3 s GLN 77 Cb -0.20 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 32.14 1bw3 s GLN 77 CO 0.53 -0.25 0.12 -1.50 -1.32 0.00 0.00 175.29 172.86 1bw3 s ILE 78 N -0.74 0.32 -0.29 3.63 1.10 0.16 -5.00 121.20 120.38 1bw3 s ILE 78 Ca -0.08 -2.00 -0.04 0.00 -0.51 0.00 0.00 60.65 58.02 1bw3 s ILE 78 Cb -0.02 -2.57 0.03 0.00 0.15 0.00 0.00 42.46 40.05 1bw3 s ILE 78 CO 0.07 0.00 0.02 -0.89 -2.11 0.00 0.00 174.94 172.03 1bw3 s THR 79 N -3.88 3.39 0.67 4.00 2.01 -1.26 -0.99 115.64 119.59 1bw3 s THR 79 Ca 0.38 -1.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.27 1bw3 s THR 79 Cb 0.07 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.77 1bw3 s THR 79 CO 0.14 0.04 1.07 0.00 -0.69 0.00 0.00 174.62 175.18 1bw3 s ALA 80 N 1.38 2.97 -0.25 7.40 0.00 0.18 -4.81 121.76 128.64 1bw3 s ALA 80 Ca -0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 51.96 51.62 1bw3 s ALA 80 Cb -0.18 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1bw3 s ALA 80 CO -0.00 -0.97 0.12 1.03 0.00 0.00 0.00 175.76 175.93 1bw3 s ARG 81 N -5.29 3.86 -0.19 0.00 0.52 -1.26 -1.04 118.95 115.55 1bw3 s ARG 81 Ca 0.57 -0.37 -0.20 0.00 -0.52 0.00 0.00 55.73 55.21 1bw3 s ARG 81 Cb -0.11 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 31.89 1bw3 s ARG 81 CO 0.53 -0.07 0.59 0.42 0.02 0.00 0.00 175.30 176.79 1bw3 s ILE 82 N 1.37 5.05 0.00 1.52 1.01 -0.32 0.19 121.20 130.01 1bw3 s ILE 82 Ca 0.06 1.11 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1bw3 s ILE 82 Cb -0.15 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1bw3 s ILE 82 CO 0.06 0.14 0.00 0.55 0.00 0.00 0.00 174.94 175.69 1bw3 n VAL 83 N 4.59 0.00 -4.01 2.92 3.14 -1.03 -3.96 118.33 119.98 1bw3 n VAL 83 Ca -0.03 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.13 1bw3 n VAL 83 Cb 0.50 -0.01 -0.06 0.00 -1.06 0.00 0.00 33.84 33.22 1bw3 n VAL 83 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1bw3 s ASP 84 N -1.39 4.78 0.09 6.55 2.15 0.03 -4.34 116.67 124.55 1bw3 s ASP 84 Ca 0.00 -0.76 0.08 0.00 0.43 0.00 0.00 52.55 52.30 1bw3 s ASP 84 Cb 0.00 -0.73 -0.03 0.00 -0.30 0.00 0.00 42.92 41.86 1bw3 s ASP 84 CO 0.00 -0.36 -0.20 -1.58 -0.17 0.00 0.00 175.17 172.86 1bw3 s GLN 85 N -3.90 1.11 0.14 4.34 0.74 -1.26 -0.33 119.66 120.49 1bw3 s GLN 85 Ca 0.39 -1.09 0.08 0.00 0.05 0.00 0.00 55.36 54.79 1bw3 s GLN 85 Cb -0.02 -1.31 -0.04 0.00 1.10 0.00 0.00 33.01 32.74 1bw3 s GLN 85 CO 0.24 0.31 -0.09 0.00 -0.55 0.00 0.00 175.29 175.19 1bw3 n ALA 87 N 0.39 2.48 0.02 0.00 0.00 -1.26 -4.74 120.51 117.41 1bw3 n ALA 87 Ca -0.12 -2.33 0.00 0.00 0.00 0.00 0.00 53.44 50.99 1bw3 n ALA 87 Cb 0.54 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.97 -0.25 0.00 0.00 0.23 -1.26 -5.17 115.26 107.83 1bw3 n ASN 88 Ca 0.16 0.08 0.00 0.00 -0.53 0.00 0.00 54.58 54.30 1bw3 n ASN 88 Cb 0.68 0.45 0.00 0.00 -2.08 0.00 0.00 39.78 38.83 1bw3 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw3 n GLY 89 N 0.14 0.42 0.00 4.83 0.00 -1.26 -5.15 105.19 104.17 1bw3 n GLY 89 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1bw3 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw3 n GLY 90 N -0.49 3.09 1.42 -0.02 0.00 -1.26 -4.87 105.19 103.06 1bw3 n GLY 90 Ca 0.00 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.31 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 0.00 2.11 -3.87 0.99 7.94 -1.20 -4.45 117.00 118.52 1bw3 n LEU 91 Ca 0.00 -3.11 0.01 0.00 -1.11 0.00 0.00 56.01 51.80 1bw3 n LEU 91 Cb 0.00 -0.16 0.01 0.00 0.53 0.00 0.00 43.42 43.80 1bw3 n LEU 91 CO 0.00 1.07 1.01 1.51 -1.11 0.00 0.00 177.39 179.86 1bw3 s ASP 92 N -2.85 -0.02 -0.19 1.96 1.47 -1.23 -4.45 116.67 111.37 1bw3 s ASP 92 Ca 0.36 -0.31 -0.18 0.00 1.18 0.00 0.00 52.55 53.61 1bw3 s ASP 92 Cb 0.38 0.25 -0.06 0.00 -0.34 0.00 0.00 42.92 43.14 1bw3 s ASP 92 CO -0.09 -0.48 -0.35 0.18 0.68 0.00 0.00 175.17 175.10 1bw3 n LEU 93 N -0.74 1.94 0.00 2.11 4.32 -1.26 -3.86 117.00 119.50 1bw3 n LEU 93 Ca -0.01 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.31 1bw3 n LEU 93 Cb 0.60 -0.75 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 1bw3 n LEU 93 CO 0.16 -0.22 0.00 -0.67 -1.22 0.00 0.00 177.39 175.43 1bw3 n ASP 94 N -4.45 0.00 0.00 -1.43 2.03 -1.26 -4.41 116.55 107.02 1bw3 n ASP 94 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1bw3 n ASP 94 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1bw3 n ASP 94 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1bw3 n TRP 95 N 0.00 0.00 1.26 -0.67 -0.00 -1.25 -3.30 117.44 113.48 1bw3 n TRP 95 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.51 1bw3 n TRP 95 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.34 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 -1.09 0.94 0.00 5.87 2.03 -1.26 -4.09 116.55 118.95 1bw3 n ASP 96 Ca 0.00 -2.04 0.00 0.00 0.52 0.00 0.00 54.79 53.27 1bw3 n ASP 96 Cb 0.00 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1bw3 n THR 97 N -0.11 0.00 0.00 5.18 -2.24 -1.26 -4.95 114.28 110.90 1bw3 n THR 97 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1bw3 n THR 97 Cb 0.21 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1bw3 n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1bw3 n VAL 98 N -0.71 0.00 0.00 2.28 0.31 -1.26 -4.76 118.33 114.19 1bw3 n VAL 98 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1bw3 n VAL 98 Cb 0.00 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 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 -1.21 0.00 -0.07 3.52 7.35 -1.26 -1.28 117.46 124.51 1bw3 n PHE 99 Ca 0.00 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.86 1bw3 n PHE 99 Cb 0.00 0.00 0.26 0.00 0.35 0.00 0.00 39.48 40.09 1bw3 n PHE 99 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1bw3 n THR 100 N 0.00 0.00 0.10 -2.13 -2.24 -1.26 -0.37 114.28 108.38 1bw3 n THR 100 Ca 0.00 0.94 -0.05 0.00 -2.27 0.00 0.00 64.05 62.68 1bw3 n THR 100 Cb 0.00 -1.73 0.05 0.00 -2.10 0.00 0.00 70.33 66.56 1bw3 n THR 100 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1bw3 h LYS 101 N 0.00 0.07 0.00 -0.78 1.57 -1.49 -3.18 116.57 112.76 1bw3 h LYS 101 Ca 0.30 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1bw3 h LYS 101 Cb 2.15 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.47 1bw3 h LYS 101 CO -0.00 0.80 -0.79 -0.84 -0.57 0.00 0.00 179.45 178.05 1bw3 h ILE 102 N 0.04 0.00 -1.03 1.86 3.07 -0.80 -3.43 117.51 117.22 1bw3 h ILE 102 Ca -0.02 -0.58 -0.62 0.00 1.55 0.00 0.00 64.86 65.19 1bw3 h ILE 102 Cb 1.35 1.08 -0.09 0.00 -0.27 0.00 0.00 36.82 38.90 1bw3 h ILE 102 CO 0.11 0.00 1.71 -1.81 -1.05 0.00 0.00 178.15 177.10 1bw3 s ASP 103 N -4.38 6.59 0.41 2.16 1.01 -1.18 -4.76 116.67 116.52 1bw3 s ASP 103 Ca 0.04 -1.74 0.29 0.00 0.71 0.00 0.00 52.55 51.85 1bw3 s ASP 103 Cb 0.13 -2.57 1.31 0.00 1.01 0.00 0.00 42.92 42.80 1bw3 s ASP 103 CO 0.75 -1.42 1.87 0.71 0.21 0.00 0.00 175.17 177.29 1bw3 h THR 104 N 6.43 0.00 0.00 -1.27 1.35 -1.84 -3.38 112.91 114.21 1bw3 h THR 104 Ca 0.27 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1bw3 h THR 104 Cb 0.97 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1bw3 h THR 104 CO 1.44 0.00 -0.17 -0.46 -0.25 0.00 0.00 175.52 176.07 1bw3 n ASN 105 N -2.62 0.25 0.00 5.36 0.23 -1.26 -5.09 115.26 112.13 1bw3 n ASN 105 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1bw3 n ASN 105 Cb 0.21 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw3 n GLY 106 N 1.79 1.62 0.26 4.83 0.00 -1.26 -5.05 105.19 107.39 1bw3 n GLY 106 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.38 -0.33 -0.61 1.08 -1.98 -2.18 117.51 113.87 1bw3 h ILE 107 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1bw3 h ILE 107 Cb 0.00 0.38 -0.08 0.00 -3.07 0.00 0.00 36.82 34.05 1bw3 h ILE 107 CO 0.00 0.00 -0.25 1.23 -0.69 0.00 0.00 178.15 178.44 1bw3 h GLY 108 N -0.10 -0.10 -0.74 5.37 0.00 -1.97 -2.39 103.07 103.14 1bw3 h GLY 108 Ca 0.22 0.31 0.09 0.00 0.00 0.00 0.00 47.33 47.95 1bw3 h GLY 108 CO -0.53 -0.20 -0.37 2.98 0.00 0.00 0.00 176.54 178.42 1bw3 n TYR 109 N -5.39 -0.16 -0.15 5.60 9.36 -0.82 -0.70 117.16 124.90 1bw3 n TYR 109 Ca 0.01 0.92 0.14 0.00 3.32 0.00 0.00 57.90 62.29 1bw3 n TYR 109 Cb 0.30 -0.66 0.26 0.00 -0.63 0.00 0.00 39.34 38.61 1bw3 n TYR 109 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1bw3 n GLN 110 N -5.01 -0.02 -0.03 2.98 7.27 -0.90 -0.79 117.38 120.88 1bw3 n GLN 110 Ca 0.04 0.57 -0.04 0.00 0.07 0.00 0.00 57.00 57.65 1bw3 n GLN 110 Cb 0.24 -1.05 -0.03 0.00 2.41 0.00 0.00 30.24 31.81 1bw3 n GLN 110 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1bw3 n GLN 111 N -3.85 1.03 0.00 3.69 6.02 0.13 -5.05 117.38 119.34 1bw3 n GLN 111 Ca 0.16 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1bw3 n GLN 111 Cb 0.58 -1.13 0.00 0.00 1.02 0.00 0.00 30.24 30.71 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 3.05 1.28 3.23 1.08 0.00 0.03 -5.11 105.19 108.75 1bw3 n GLY 112 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1bw3 n GLY 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bw3 s HIS 113 N -2.00 1.63 0.14 1.61 5.65 -1.24 -3.85 115.29 117.22 1bw3 s HIS 113 Ca 0.00 -0.39 0.04 0.00 0.25 0.00 0.00 55.06 54.96 1bw3 s HIS 113 Cb 0.00 -0.94 -0.04 0.00 -1.18 0.00 0.00 32.58 30.42 1bw3 s HIS 113 CO 0.00 0.11 -0.09 -1.17 -0.65 0.00 0.00 174.74 172.94 1bw3 s LEU 114 N -1.44 2.51 -0.20 8.88 2.96 0.95 -4.58 118.68 127.77 1bw3 s LEU 114 Ca 0.05 -1.02 -0.03 0.00 -0.22 0.00 0.00 54.13 52.91 1bw3 s LEU 114 Cb -0.09 -0.28 -0.01 0.00 0.50 0.00 0.00 46.19 46.31 1bw3 s LEU 114 CO 0.02 -0.37 -0.08 0.21 -1.32 0.00 0.00 176.35 174.82 1bw3 s ASN 115 N -3.14 4.15 0.29 3.68 2.47 -1.26 -0.92 114.94 120.21 1bw3 s ASN 115 Ca 0.16 -0.39 0.03 0.00 0.42 0.00 0.00 52.86 53.07 1bw3 s ASN 115 Cb 0.03 -1.69 -0.04 0.00 -1.45 0.00 0.00 41.25 38.10 1bw3 s ASN 115 CO -0.00 0.03 0.15 0.68 -3.72 0.00 0.00 177.10 174.23 1bw3 s VAL 116 N 1.19 0.36 -0.06 -5.21 -7.23 -0.85 -4.73 120.40 103.87 1bw3 s VAL 116 Ca 0.02 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.23 1bw3 s VAL 116 Cb -0.14 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.27 1bw3 s VAL 116 CO -0.02 0.00 -0.19 0.20 -0.31 0.00 0.00 175.10 174.78 1bw3 s ASN 117 N -3.36 2.39 0.03 4.85 0.01 -0.83 -0.61 114.94 117.42 1bw3 s ASN 117 Ca 0.36 -0.41 0.01 0.00 -0.71 0.00 0.00 52.86 52.11 1bw3 s ASN 117 Cb 0.05 -0.86 -0.02 0.00 0.41 0.00 0.00 41.25 40.83 1bw3 s ASN 117 CO 0.17 0.14 -0.05 -0.72 -1.51 0.00 0.00 177.10 175.13 1bw3 s TYR 118 N 0.22 0.41 0.03 2.20 -0.85 0.25 -1.40 117.35 118.22 1bw3 s TYR 118 Ca -0.10 -0.49 0.06 0.00 -0.52 0.00 0.00 57.07 56.03 1bw3 s TYR 118 Cb -0.14 -0.26 -0.02 0.00 0.38 0.00 0.00 41.96 41.91 1bw3 s TYR 118 CO 0.04 -0.14 -0.17 -0.65 -1.52 0.00 0.00 175.55 173.11 1bw3 s GLN 119 N -1.41 1.20 0.23 -3.49 1.11 -0.18 -0.97 119.66 116.16 1bw3 s GLN 119 Ca -0.13 -0.82 -0.30 0.00 0.01 0.00 0.00 55.36 54.13 1bw3 s GLN 119 Cb -0.09 -1.25 -0.10 0.00 -1.01 0.00 0.00 33.01 30.56 1bw3 s GLN 119 CO -0.00 0.32 1.39 -0.06 0.01 0.00 0.00 175.29 176.95 1bw3 s PHE 120 N -0.76 3.10 0.12 0.91 0.40 -0.45 -0.13 117.98 121.17 1bw3 s PHE 120 Ca 0.05 1.10 -0.06 0.00 -0.60 0.00 0.00 56.93 57.42 1bw3 s PHE 120 Cb -0.08 -3.74 -0.02 0.00 0.51 0.00 0.00 43.02 39.69 1bw3 s PHE 120 CO 0.01 -2.39 0.17 0.54 0.70 0.00 0.00 175.22 174.26 1bw3 s VAL 121 N 0.00 0.12 0.23 -0.44 0.11 -0.45 -4.76 120.40 115.21 1bw3 s VAL 121 Ca 0.58 -1.48 -0.12 0.00 -2.93 0.00 0.00 61.98 58.04 1bw3 s VAL 121 Cb -0.40 -1.68 -0.08 0.00 -1.53 0.00 0.00 36.38 32.69 1bw3 s VAL 121 CO 0.42 -0.53 0.60 -0.62 -3.33 0.00 0.00 175.10 171.64 1bw3 s ASP 122 N -2.94 6.71 0.00 3.54 -1.08 -1.26 -1.27 116.67 120.37 1bw3 s ASP 122 Ca 0.13 1.05 0.26 0.00 -0.52 0.00 0.00 52.55 53.48 1bw3 s ASP 122 Cb 0.05 -2.28 0.77 0.00 -1.46 0.00 0.00 42.92 40.00 1bw3 s ASP 122 CO -0.04 -0.07 1.60 0.00 0.52 0.00 0.00 175.17 177.18 1bw3 n ARG 124 N -1.50 -2.27 0.00 0.00 0.63 -1.26 -5.08 116.66 107.17 1bw3 n ARG 124 Ca 0.06 0.27 0.14 0.00 -0.92 0.00 0.00 57.85 57.40 1bw3 n ARG 124 Cb 0.34 -4.11 0.53 0.00 0.45 0.00 0.00 32.46 29.66 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65