#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 3.17 0.03 3.49 -0.21 -1.25 -1.75 119.66 123.14 1bw3 s GLN 2 Ca 0.00 -0.78 0.03 0.00 0.02 0.00 0.00 55.36 54.63 1bw3 s GLN 2 Cb 0.00 -2.45 -0.02 0.00 1.00 0.00 0.00 33.01 31.54 1bw3 s GLN 2 CO 0.00 0.22 -0.09 0.00 -2.12 0.00 0.00 175.29 173.29 1bw3 s ALA 3 N 0.29 0.76 0.22 6.09 0.00 -0.32 -4.93 121.76 123.86 1bw3 s ALA 3 Ca -0.14 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1bw3 s ALA 3 Cb -0.17 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 1bw3 s ALA 3 CO 0.07 0.09 0.04 0.54 0.00 0.00 0.00 175.76 176.49 1bw3 s ASN 4 N -1.19 1.36 -1.11 0.00 6.03 -1.26 -0.78 114.94 117.99 1bw3 s ASN 4 Ca -0.04 -1.27 -0.24 0.00 -1.03 0.00 0.00 52.86 50.28 1bw3 s ASN 4 Cb -0.08 0.11 0.02 0.00 -3.03 0.00 0.00 41.25 38.27 1bw3 s ASN 4 CO 0.01 -0.62 0.70 0.47 -2.03 0.00 0.00 177.10 175.63 1bw3 n ASP 5 N -0.38 -4.72 -4.40 3.54 8.00 -0.87 -4.94 116.55 112.79 1bw3 n ASP 5 Ca -0.04 -1.13 -0.31 0.00 0.71 0.00 0.00 54.79 54.02 1bw3 n ASP 5 Cb 0.65 -2.24 -0.14 0.00 -0.02 0.00 0.00 41.12 39.37 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 -3.39 2.57 -0.17 2.53 1.01 -0.39 -4.90 120.40 117.66 1bw3 s VAL 6 Ca 0.39 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 1bw3 s VAL 6 Cb -0.19 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1bw3 s VAL 6 CO 0.92 0.51 2.02 -0.13 0.00 0.00 0.00 175.10 178.43 1bw3 s ARG 7 N -0.90 3.50 -0.28 2.72 0.52 -1.26 -2.94 118.95 120.31 1bw3 s ARG 7 Ca 0.12 2.05 -0.07 0.00 -0.52 0.00 0.00 55.73 57.32 1bw3 s ARG 7 Cb -0.10 -4.25 0.00 0.00 0.52 0.00 0.00 34.95 31.12 1bw3 s ARG 7 CO 0.01 -1.68 0.07 0.00 0.02 0.00 0.00 175.30 173.72 1bw3 s ALA 8 N 6.75 3.05 -0.02 2.13 0.00 -0.26 -4.53 121.76 128.88 1bw3 s ALA 8 Ca 0.91 -1.39 0.06 0.00 0.00 0.00 0.00 51.96 51.54 1bw3 s ALA 8 Cb -0.33 -2.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 1bw3 s ALA 8 CO 0.36 -0.83 -0.20 -0.08 0.00 0.00 0.00 175.76 175.01 1bw3 s THR 9 N 1.51 1.55 0.45 0.00 -1.32 -1.26 -0.74 115.64 115.84 1bw3 s THR 9 Ca 0.03 -0.83 0.07 0.00 -1.21 0.00 0.00 61.69 59.75 1bw3 s THR 9 Cb -0.17 -1.29 -0.00 0.00 -1.51 0.00 0.00 72.50 69.53 1bw3 s THR 9 CO 0.02 0.44 0.40 -0.72 -2.21 0.00 0.00 174.62 172.55 1bw3 s TYR 10 N -0.42 2.39 0.15 9.09 -0.85 -1.26 -2.19 117.35 124.26 1bw3 s TYR 10 Ca 0.06 -0.59 0.02 0.00 -0.52 0.00 0.00 57.07 56.05 1bw3 s TYR 10 Cb -0.08 -2.11 -0.01 0.00 0.38 0.00 0.00 41.96 40.14 1bw3 s TYR 10 CO -0.00 -0.25 0.15 1.58 -1.52 0.00 0.00 175.55 175.51 1bw3 n HIS 11 N -1.62 -0.53 -4.35 -3.49 -0.00 0.23 -4.89 115.22 100.56 1bw3 n HIS 11 Ca 0.03 -1.15 -0.27 0.00 0.46 0.00 0.00 57.72 56.79 1bw3 n HIS 11 Cb 0.62 0.17 -0.17 0.00 -0.12 0.00 0.00 29.99 30.49 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 -3.11 1.74 0.00 1.57 2.02 -1.26 -3.45 117.35 114.87 1bw3 s TYR 12 Ca 0.16 -0.80 0.00 0.00 -0.37 0.00 0.00 57.07 56.06 1bw3 s TYR 12 Cb 0.00 -1.30 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 1bw3 s TYR 12 CO 0.11 -0.44 0.00 0.98 -1.57 0.00 0.00 175.55 174.63 1bw3 n TYR 13 N 4.28 0.00 -0.13 2.71 4.19 -1.26 -5.04 117.16 121.91 1bw3 n TYR 13 Ca -0.19 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 60.95 1bw3 n TYR 13 Cb 0.51 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.32 1bw3 n TYR 13 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw3 h ARG 14 N 0.00 -0.25 0.00 2.98 -0.00 -2.00 -3.48 114.38 111.63 1bw3 h ARG 14 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 1bw3 h ARG 14 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.03 1bw3 h ARG 14 CO 0.00 -0.17 0.00 -0.35 0.00 0.00 0.00 179.97 179.45 1bw3 n PRO 15 N -5.42 0.00 0.26 0.04 -0.04 -1.26 -4.66 135.00 123.92 1bw3 n PRO 15 Ca 0.01 0.10 0.16 0.00 -0.04 0.00 0.00 63.50 63.73 1bw3 n PRO 15 Cb 0.34 -0.47 0.74 0.00 -0.04 0.00 0.00 33.50 34.07 1bw3 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 h ALA 16 N -2.00 1.61 -0.57 0.55 0.00 -1.92 -2.20 119.26 114.74 1bw3 h ALA 16 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1bw3 h ALA 16 Cb 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1bw3 h ALA 16 CO 0.00 -0.49 -0.33 1.04 0.00 0.00 0.00 179.25 179.47 1bw3 n GLN 17 N -3.09 -0.25 -1.15 0.00 6.02 -1.26 0.12 117.38 117.78 1bw3 n GLN 17 Ca 0.01 0.86 -0.22 0.00 -0.01 0.00 0.00 57.00 57.64 1bw3 n GLN 17 Cb 0.50 -1.27 0.01 0.00 1.02 0.00 0.00 30.24 30.50 1bw3 n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1bw3 n ASN 18 N -4.72 6.59 -3.84 1.08 4.05 -1.25 -4.66 115.26 112.52 1bw3 n ASN 18 Ca 0.01 -3.18 -0.26 0.00 0.45 0.00 0.00 54.58 51.60 1bw3 n ASN 18 Cb 0.15 -1.11 0.02 0.00 1.23 0.00 0.00 39.78 40.07 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 0.42 -2.57 0.00 1.20 2.85 0.33 -4.34 115.26 113.14 1bw3 n ASN 19 Ca 0.39 -0.83 0.00 0.00 -0.11 0.00 0.00 54.58 54.03 1bw3 n ASN 19 Cb 0.57 -3.82 0.00 0.00 1.24 0.00 0.00 39.78 37.77 1bw3 n ASN 19 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1bw3 n TRP 20 N -4.46 0.00 -0.39 1.20 7.02 0.18 -4.69 117.44 116.30 1bw3 n TRP 20 Ca -0.15 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.29 1bw3 n TRP 20 Cb 0.61 -0.71 -0.05 0.00 -2.42 0.00 0.00 31.31 28.75 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 -0.40 2.59 -0.07 -0.99 2.03 -0.83 -4.20 116.55 114.69 1bw3 n ASP 21 Ca 0.00 -1.86 -0.13 0.00 0.52 0.00 0.00 54.79 53.32 1bw3 n ASP 21 Cb 0.00 -0.64 -0.12 0.00 -0.72 0.00 0.00 41.12 39.64 1bw3 n ASP 21 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1bw3 h LEU 22 N 4.68 -0.00 -1.51 -2.67 3.38 -1.84 -3.29 115.31 114.07 1bw3 h LEU 22 Ca 0.05 -0.93 0.10 0.00 0.09 0.00 0.00 57.88 57.19 1bw3 h LEU 22 Cb 0.64 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 1bw3 h LEU 22 CO 0.22 0.95 0.46 1.23 0.09 0.00 0.00 178.44 181.39 1bw3 h GLY 23 N -0.98 0.79 -6.59 0.83 0.00 -1.86 -2.08 103.07 93.18 1bw3 h GLY 23 Ca -0.00 -0.23 -0.80 0.00 0.00 0.00 0.00 47.33 46.30 1bw3 h GLY 23 CO 0.00 0.13 0.75 0.00 0.00 0.00 0.00 176.54 177.42 1bw3 n ALA 24 N -2.49 -0.90 -0.29 3.60 0.00 -1.24 -4.68 120.51 114.51 1bw3 n ALA 24 Ca 0.12 0.45 0.27 0.00 0.00 0.00 0.00 53.44 54.28 1bw3 n ALA 24 Cb 0.37 -2.06 0.49 0.00 0.00 0.00 0.00 19.45 18.24 1bw3 n ALA 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bw3 n PRO 25 N 4.48 -0.04 0.00 0.00 -0.04 -1.26 -0.89 135.00 137.25 1bw3 n PRO 25 Ca 0.28 1.07 0.14 0.00 -0.04 0.00 0.00 63.50 64.95 1bw3 n PRO 25 Cb 0.04 -1.97 0.61 0.00 -0.04 0.00 0.00 33.50 32.14 1bw3 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 n ALA 26 N -2.45 2.75 -0.01 0.55 0.00 -1.26 -4.59 120.51 115.51 1bw3 n ALA 26 Ca 0.31 -0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1bw3 n ALA 26 Cb 1.09 -1.30 -0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.71 0.36 -2.41 0.00 0.31 -0.07 -4.97 118.33 110.84 1bw3 n VAL 27 Ca 0.16 0.27 -0.04 0.00 -0.01 0.00 0.00 64.34 64.73 1bw3 n VAL 27 Cb 0.28 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 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 -2.89 -4.43 -4.86 4.52 3.41 -0.78 -4.97 113.62 103.62 1bw3 n SER 28 Ca -0.02 0.23 -0.34 0.00 -0.26 0.00 0.00 58.87 58.48 1bw3 n SER 28 Cb 0.07 -1.09 -0.06 0.00 -0.26 0.00 0.00 64.21 62.88 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 -0.73 3.55 0.15 7.33 0.00 -1.26 -5.02 121.76 125.78 1bw3 s ALA 29 Ca 0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 51.96 51.76 1bw3 s ALA 29 Cb -0.00 -2.52 0.20 0.00 0.00 0.00 0.00 23.12 20.80 1bw3 s ALA 29 CO 0.08 0.46 0.91 0.98 0.00 0.00 0.00 175.76 178.19 1bw3 n TYR 30 N 0.33 0.11 -1.38 0.00 4.19 -1.26 -0.65 117.16 118.49 1bw3 n TYR 30 Ca -0.02 0.72 -0.07 0.00 3.31 0.00 0.00 57.90 61.83 1bw3 n TYR 30 Cb 0.52 -0.78 0.20 0.00 0.49 0.00 0.00 39.34 39.78 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 1.09 1.68 0.00 0.00 0.00 -1.28 0.52 119.26 121.26 1bw3 h ALA 32 Ca 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bw3 h ALA 32 Cb 1.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1bw3 h ALA 32 CO 0.53 0.24 0.00 1.15 0.00 0.00 0.00 179.25 181.17 1bw3 h THR 33 N 0.18 0.00 0.00 0.00 2.02 -1.82 -3.11 112.91 110.18 1bw3 h THR 33 Ca 0.04 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1bw3 h THR 33 Cb 0.22 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1bw3 h THR 33 CO 0.01 0.00 -0.95 0.79 0.37 0.00 0.00 175.52 175.74 1bw3 n TRP 34 N -2.36 0.00 -0.14 3.16 8.01 -0.71 -4.91 117.44 120.50 1bw3 n TRP 34 Ca 0.04 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.94 1bw3 n TRP 34 Cb 0.34 0.00 -0.10 0.00 -2.01 0.00 0.00 31.31 29.53 1bw3 n TRP 34 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1bw3 n ASP 35 N -1.62 1.96 0.01 -0.99 9.92 0.17 -4.64 116.55 121.37 1bw3 n ASP 35 Ca 0.00 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 1bw3 n ASP 35 Cb 0.19 -0.79 0.01 0.00 -0.64 0.00 0.00 41.12 39.89 1bw3 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw3 n ALA 36 N -4.15 0.15 -0.02 2.24 0.00 -1.17 0.03 120.51 117.59 1bw3 n ALA 36 Ca -0.54 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 52.82 1bw3 n ALA 36 Cb 0.89 -0.15 -0.14 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.13 0.89 -4.75 0.00 3.41 -1.26 -4.90 113.62 105.88 1bw3 n SER 37 Ca -0.00 0.42 -0.41 0.00 -0.26 0.00 0.00 58.87 58.62 1bw3 n SER 37 Cb 0.44 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 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 -2.61 4.32 0.38 4.33 3.01 0.10 -4.93 119.74 124.35 1bw3 s LYS 38 Ca -0.04 2.21 -0.27 0.00 -1.01 0.00 0.00 55.97 56.86 1bw3 s LYS 38 Cb 0.08 -3.12 -0.11 0.00 -1.01 0.00 0.00 37.83 33.67 1bw3 s LYS 38 CO 0.82 -0.31 1.26 -0.35 0.51 0.00 0.00 175.35 177.28 1bw3 n PRO 39 N 2.05 1.99 -0.34 -1.68 -0.04 -1.26 -4.72 135.00 131.00 1bw3 n PRO 39 Ca 0.05 0.70 0.32 0.00 -0.04 0.00 0.00 63.50 64.54 1bw3 n PRO 39 Cb 0.41 -2.33 0.59 0.00 -0.04 0.00 0.00 33.50 32.12 1bw3 n PRO 39 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1bw3 n LEU 40 N 0.49 0.31 -0.25 1.53 7.94 -1.26 -2.60 117.00 123.16 1bw3 n LEU 40 Ca 0.06 1.54 -0.07 0.00 -1.11 0.00 0.00 56.01 56.44 1bw3 n LEU 40 Cb 0.38 -0.75 -0.06 0.00 0.53 0.00 0.00 43.42 43.51 1bw3 n LEU 40 CO 0.60 -1.72 0.47 -0.24 -1.11 0.00 0.00 177.39 175.40 1bw3 n SER 41 N -5.07 -0.64 -0.04 1.96 2.88 -1.26 -0.16 113.62 111.29 1bw3 n SER 41 Ca 0.37 1.44 -0.15 0.00 -1.33 0.00 0.00 58.87 59.20 1bw3 n SER 41 Cb 1.30 -0.32 -0.08 0.00 -0.75 0.00 0.00 64.21 64.36 1bw3 n SER 41 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1bw3 h TRP 42 N 0.00 0.71 -0.40 0.66 7.01 -1.86 -0.43 115.95 121.65 1bw3 h TRP 42 Ca 0.10 -0.29 0.08 0.00 2.11 0.00 0.00 58.89 60.89 1bw3 h TRP 42 Cb 0.25 -0.12 -0.09 0.00 -2.10 0.00 0.00 29.16 27.10 1bw3 h TRP 42 CO -0.97 1.05 -0.25 0.00 -2.79 0.00 0.00 178.44 175.48 1bw3 h ARG 43 N 0.18 -0.18 -0.00 2.65 2.47 -1.39 0.12 114.38 118.22 1bw3 h ARG 43 Ca -0.01 0.01 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 1bw3 h ARG 43 Cb 1.06 0.04 0.01 0.00 -1.65 0.00 0.00 29.97 29.43 1bw3 h ARG 43 CO 0.09 -0.12 -0.46 0.66 0.56 0.00 0.00 179.97 180.70 1bw3 h SER 44 N -0.19 0.41 -0.43 7.04 4.64 -0.63 -3.33 113.55 121.07 1bw3 h SER 44 Ca 0.19 -0.76 0.08 0.00 -0.47 0.00 0.00 61.79 60.82 1bw3 h SER 44 Cb 0.48 -0.13 -0.09 0.00 -0.31 0.00 0.00 62.40 62.35 1bw3 h SER 44 CO -0.51 1.12 -0.40 0.50 -0.87 0.00 0.00 176.83 176.68 1bw3 h LYS 45 N -0.25 -0.28 -4.26 4.77 3.64 -0.75 -3.32 116.57 116.12 1bw3 h LYS 45 Ca -0.06 0.02 -0.74 0.00 -1.27 0.00 0.00 60.65 58.60 1bw3 h LYS 45 Cb 1.19 0.06 -0.25 0.00 -0.41 0.00 0.00 32.23 32.82 1bw3 h LYS 45 CO 0.09 -0.19 -0.32 0.71 -2.27 0.00 0.00 179.45 177.47 1bw3 s TYR 46 N -5.90 3.28 0.96 1.91 2.02 0.37 -5.07 117.35 114.93 1bw3 s TYR 46 Ca -0.15 -1.24 -0.24 0.00 -0.37 0.00 0.00 57.07 55.07 1bw3 s TYR 46 Cb 0.13 -3.37 -0.15 0.00 -0.40 0.00 0.00 41.96 38.16 1bw3 s TYR 46 CO 0.66 -0.90 -1.26 0.41 -1.57 0.00 0.00 175.55 172.89 1bw3 n GLY 47 N 5.14 -2.76 3.20 0.71 0.00 -1.25 -4.60 105.19 105.63 1bw3 n GLY 47 Ca -0.12 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 45.74 1bw3 n GLY 47 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1bw3 s TRP 48 N -2.02 -1.71 0.00 1.61 1.48 -1.26 0.38 118.94 117.42 1bw3 s TRP 48 Ca 0.34 0.25 0.00 0.00 -1.06 0.00 0.00 56.10 55.63 1bw3 s TRP 48 Cb 0.08 0.32 0.00 0.00 -1.16 0.00 0.00 33.47 32.70 1bw3 s TRP 48 CO 0.59 -1.16 0.00 -2.37 -4.06 0.00 0.00 176.95 169.95 1bw3 n THR 49 N 4.40 0.00 -4.34 0.66 5.66 -0.58 -4.50 114.28 115.58 1bw3 n THR 49 Ca 0.11 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.86 1bw3 n THR 49 Cb 0.57 -1.55 -0.12 0.00 -1.55 0.00 0.00 70.33 67.68 1bw3 n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bw3 s ALA 50 N -3.10 2.08 -0.01 1.79 0.00 -1.26 -2.49 121.76 118.76 1bw3 s ALA 50 Ca 0.00 -1.42 0.06 0.00 0.00 0.00 0.00 51.96 50.60 1bw3 s ALA 50 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1bw3 s ALA 50 CO 0.00 0.36 -0.19 0.12 0.00 0.00 0.00 175.76 176.06 1bw3 s PHE 51 N -1.50 1.67 0.00 0.00 5.36 0.49 -4.72 117.98 119.28 1bw3 s PHE 51 Ca 0.13 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 1bw3 s PHE 51 Cb -0.08 -1.07 0.00 0.00 -0.34 0.00 0.00 43.02 41.53 1bw3 s PHE 51 CO 0.06 -0.03 0.00 0.00 -1.46 0.00 0.00 175.22 173.80 1bw3 n GLY 53 N 2.75 -0.11 0.40 0.00 0.00 -1.26 -4.96 105.19 102.01 1bw3 n GLY 53 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.31 -1.08 1.61 0.13 -2.04 -3.07 132.00 127.23 1bw3 h PRO 54 Ca 0.00 0.02 -0.43 0.00 -0.87 0.00 0.00 66.00 64.72 1bw3 h PRO 54 Cb 0.06 0.07 -0.41 0.00 0.13 0.00 0.00 31.00 30.85 1bw3 h PRO 54 CO 0.00 -0.21 -1.02 0.00 -0.23 0.00 0.00 178.00 176.54 1bw3 n ALA 55 N -3.05 3.95 -3.54 -0.56 0.00 -1.26 -5.01 120.51 111.04 1bw3 n ALA 55 Ca -0.03 -3.51 -0.29 0.00 0.00 0.00 0.00 53.44 49.62 1bw3 n ALA 55 Cb 0.29 -0.77 -0.15 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.36 0.48 -0.67 0.00 0.00 -1.16 -1.36 107.32 101.25 1bw3 s GLY 56 Ca 0.35 -1.08 -0.27 0.00 0.00 0.00 0.00 44.72 43.73 1bw3 s GLY 56 CO -0.04 2.09 1.60 2.56 0.00 0.00 0.00 173.10 179.30 1bw3 s PRO 57 N 2.10 2.89 0.00 2.90 0.05 -1.26 -4.92 135.00 136.76 1bw3 s PRO 57 Ca 0.09 0.24 0.00 0.00 0.05 0.00 0.00 61.00 61.38 1bw3 s PRO 57 Cb -0.16 -4.29 0.00 0.00 0.05 0.00 0.00 34.50 30.10 1bw3 s PRO 57 CO -0.36 -2.46 0.00 -2.13 0.05 0.00 0.00 177.00 172.09 1bw3 n ARG 58 N 9.26 0.00 0.00 4.56 0.00 -1.26 -4.96 116.66 124.26 1bw3 n ARG 58 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 1bw3 n ARG 58 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 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 0.00 0.38 0.22 5.14 0.00 -1.26 -4.94 105.19 104.74 1bw3 n GLY 59 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.54 -2.06 1.61 4.20 -2.00 -3.27 115.11 113.05 1bw3 h GLN 60 Ca 0.00 0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.58 1bw3 h GLN 60 Cb 0.00 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 1bw3 h GLN 60 CO 0.00 -0.36 -0.31 0.00 -0.67 0.00 0.00 178.83 177.49 1bw3 n ALA 61 N -2.34 5.87 0.00 3.87 0.00 -1.26 -2.25 120.51 124.40 1bw3 n ALA 61 Ca -0.07 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.78 1bw3 n ALA 61 Cb 0.22 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.44 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 2.46 1.14 0.18 0.00 0.00 -1.23 -4.85 120.51 118.20 1bw3 n ALA 62 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1bw3 n ALA 62 Cb 0.83 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.33 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 1.10 -0.19 3.59 0.00 0.00 -1.26 -5.06 105.19 103.37 1bw3 n GLY 64 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 2.04 0.37 1.61 1.02 -0.32 -4.80 119.74 119.66 1bw3 s LYS 65 Ca 0.00 -1.66 0.08 0.00 0.02 0.00 0.00 55.97 54.41 1bw3 s LYS 65 Cb 0.00 -1.95 -0.07 0.00 -0.52 0.00 0.00 37.83 35.29 1bw3 s LYS 65 CO 0.00 0.25 -0.04 0.00 -0.92 0.00 0.00 175.35 174.64 1bw3 s LEU 67 N -3.66 1.72 -0.19 0.00 0.20 0.11 0.03 118.68 116.89 1bw3 s LEU 67 Ca 0.34 -0.40 -0.13 0.00 0.69 0.00 0.00 54.13 54.63 1bw3 s LEU 67 Cb 0.06 -1.05 -0.05 0.00 -0.43 0.00 0.00 46.19 44.73 1bw3 s LEU 67 CO 0.17 0.03 0.25 -0.60 -0.29 0.00 0.00 176.35 175.91 1bw3 s ARG 68 N 0.88 4.20 -0.07 1.98 3.52 -0.23 -0.84 118.95 128.38 1bw3 s ARG 68 Ca -0.09 -0.02 0.05 0.00 -0.13 0.00 0.00 55.73 55.53 1bw3 s ARG 68 Cb -0.15 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 29.76 1bw3 s ARG 68 CO 0.00 0.17 -0.22 0.08 -0.81 0.00 0.00 175.30 174.53 1bw3 s VAL 69 N 0.69 2.32 0.04 7.11 1.01 0.12 -1.04 120.40 130.65 1bw3 s VAL 69 Ca 0.13 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.21 1bw3 s VAL 69 Cb -0.13 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1bw3 s VAL 69 CO 0.03 0.57 -0.18 -0.89 0.00 0.00 0.00 175.10 174.63 1bw3 s THR 70 N -0.14 1.46 -0.71 3.92 2.01 0.36 -0.42 115.64 122.12 1bw3 s THR 70 Ca -0.04 -1.10 -0.09 0.00 0.31 0.00 0.00 61.69 60.77 1bw3 s THR 70 Cb -0.14 -1.28 0.19 0.00 0.01 0.00 0.00 72.50 71.28 1bw3 s THR 70 CO 0.04 0.15 0.60 0.21 -0.69 0.00 0.00 174.62 174.93 1bw3 s ASN 71 N -1.11 6.07 0.24 3.53 3.84 0.77 -1.47 114.94 126.81 1bw3 s ASN 71 Ca 0.05 -2.66 0.14 0.00 0.21 0.00 0.00 52.86 50.61 1bw3 s ASN 71 Cb -0.08 -2.06 0.76 0.00 -0.55 0.00 0.00 41.25 39.32 1bw3 s ASN 71 CO 0.01 -0.52 1.39 -2.65 -2.79 0.00 0.00 177.10 172.54 1bw3 n PRO 72 N 3.91 0.09 -0.05 0.43 -0.02 -1.26 -0.10 135.00 138.00 1bw3 n PRO 72 Ca 0.09 0.57 -0.22 0.00 -2.02 0.00 0.00 63.50 61.92 1bw3 n PRO 72 Cb 0.43 -1.89 -0.13 0.00 -0.02 0.00 0.00 33.50 31.89 1bw3 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw3 h ALA 73 N 1.74 0.33 0.00 3.55 0.00 -1.94 -3.40 119.26 119.54 1bw3 h ALA 73 Ca 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 54.91 53.61 1bw3 h ALA 73 Cb 0.18 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1bw3 h ALA 73 CO 0.00 0.96 -1.50 0.25 0.00 0.00 0.00 179.25 178.96 1bw3 n THR 74 N -4.03 0.39 -0.41 0.00 -2.24 -0.21 -4.94 114.28 102.83 1bw3 n THR 74 Ca -0.32 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1bw3 n THR 74 Cb 0.84 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 1.24 1.41 3.78 3.38 0.00 0.86 -5.01 105.19 110.85 1bw3 n GLY 75 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.12 3.10 -0.02 4.61 0.00 -1.25 -4.79 121.76 120.29 1bw3 s ALA 76 Ca 0.00 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.65 1bw3 s ALA 76 Cb 0.00 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.87 1bw3 s ALA 76 CO 0.00 -0.17 -0.03 1.14 0.00 0.00 0.00 175.76 176.70 1bw3 s GLN 77 N -2.45 0.41 0.15 0.00 -2.07 -1.26 -0.16 119.66 114.28 1bw3 s GLN 77 Ca 0.57 -0.06 0.06 0.00 -1.82 0.00 0.00 55.36 54.10 1bw3 s GLN 77 Cb -0.22 -0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 31.19 1bw3 s GLN 77 CO 0.27 -0.02 -0.13 -1.50 -1.32 0.00 0.00 175.29 172.60 1bw3 s ILE 78 N 0.46 1.38 -0.13 3.63 1.10 0.44 -4.99 121.20 123.09 1bw3 s ILE 78 Ca -0.05 -1.99 0.02 0.00 -0.51 0.00 0.00 60.65 58.12 1bw3 s ILE 78 Cb -0.08 -1.80 0.01 0.00 0.15 0.00 0.00 42.46 40.74 1bw3 s ILE 78 CO -0.01 -0.60 -0.20 -0.89 -2.11 0.00 0.00 174.94 171.14 1bw3 s THR 79 N -2.84 1.88 0.35 4.00 2.01 -1.26 -0.71 115.64 119.08 1bw3 s THR 79 Ca 0.16 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.37 1bw3 s THR 79 Cb -0.01 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 1bw3 s THR 79 CO 0.03 0.52 0.09 0.00 -0.69 0.00 0.00 174.62 174.57 1bw3 s ALA 80 N 0.92 3.39 0.24 7.40 0.00 -0.02 -4.16 121.76 129.53 1bw3 s ALA 80 Ca -0.06 -1.92 -0.05 0.00 0.00 0.00 0.00 51.96 49.93 1bw3 s ALA 80 Cb -0.15 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 1bw3 s ALA 80 CO -0.03 0.02 0.50 0.50 0.00 0.00 0.00 175.76 176.75 1bw3 s ARG 81 N -3.80 3.63 -0.59 0.00 3.52 0.16 0.06 118.95 121.94 1bw3 s ARG 81 Ca 0.37 -0.04 -0.22 0.00 -0.13 0.00 0.00 55.73 55.72 1bw3 s ARG 81 Cb -0.01 -2.71 0.06 0.00 -1.56 0.00 0.00 34.95 30.74 1bw3 s ARG 81 CO 0.21 0.30 0.85 0.42 -0.81 0.00 0.00 175.30 176.27 1bw3 s ILE 82 N -1.95 4.53 0.00 4.11 1.01 -0.22 -1.52 121.20 127.15 1bw3 s ILE 82 Ca 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1bw3 s ILE 82 Cb -0.11 -4.53 0.00 0.00 0.01 0.00 0.00 42.46 37.83 1bw3 s ILE 82 CO 0.28 -1.17 0.00 0.55 0.00 0.00 0.00 174.94 174.59 1bw3 n VAL 83 N 5.88 0.00 -2.78 2.92 3.14 -1.11 -4.35 118.33 122.03 1bw3 n VAL 83 Ca -0.04 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.17 1bw3 n VAL 83 Cb 0.46 -0.47 0.08 0.00 -1.06 0.00 0.00 33.84 32.84 1bw3 n VAL 83 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1bw3 n ASP 84 N -2.21 1.42 -2.05 6.55 8.00 -1.04 -4.18 116.55 123.03 1bw3 n ASP 84 Ca 0.00 -2.10 -0.06 0.00 0.71 0.00 0.00 54.79 53.34 1bw3 n ASP 84 Cb 0.21 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 40.84 1bw3 n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bw3 n GLN 85 N -2.30 0.80 -2.98 -1.24 6.02 -1.26 -0.38 117.38 116.05 1bw3 n GLN 85 Ca 0.14 -0.88 -0.37 0.00 -0.01 0.00 0.00 57.00 55.88 1bw3 n GLN 85 Cb 0.49 0.50 -0.06 0.00 1.02 0.00 0.00 30.24 32.19 1bw3 n GLN 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw3 n ALA 87 N 0.72 0.00 -1.88 0.00 0.00 -1.26 -5.08 120.51 113.01 1bw3 n ALA 87 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1bw3 n ALA 87 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 0.00 0.00 0.00 6.94 -1.26 -5.12 115.26 115.82 1bw3 n ASN 88 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1bw3 n ASN 88 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1bw3 n ASN 88 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw3 n GLY 89 N 3.29 0.82 0.00 4.83 0.00 -1.26 -5.11 105.19 107.76 1bw3 n GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 5.00 1.60 2.61 -0.02 0.00 -0.93 -4.96 105.19 108.49 1bw3 n GLY 90 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 7.06 0.00 0.99 7.94 -1.25 -4.61 117.00 127.13 1bw3 n LEU 91 Ca 0.00 -4.51 0.02 0.00 -1.11 0.00 0.00 56.01 50.42 1bw3 n LEU 91 Cb 0.00 -1.21 0.01 0.00 0.53 0.00 0.00 43.42 42.75 1bw3 n LEU 91 CO 0.00 1.82 0.78 -0.90 -1.11 0.00 0.00 177.39 177.97 1bw3 n ASP 92 N 0.57 -0.77 0.00 1.96 5.68 -1.26 -4.76 116.55 117.97 1bw3 n ASP 92 Ca 0.52 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 53.70 1bw3 n ASP 92 Cb 0.40 1.18 0.00 0.00 -1.14 0.00 0.00 41.12 41.56 1bw3 n ASP 92 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1bw3 n LEU 93 N 0.00 0.00 0.00 -2.12 4.32 -1.26 -4.36 117.00 113.58 1bw3 n LEU 93 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1bw3 n LEU 93 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1bw3 n LEU 93 CO 0.10 0.00 0.00 -0.90 -1.22 0.00 0.00 177.39 175.37 1bw3 n ASP 94 N 0.00 0.00 0.00 -1.43 5.75 -1.26 -4.39 116.55 115.21 1bw3 n ASP 94 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1bw3 n ASP 94 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.00 -0.91 1.00 2.11 -0.00 -1.22 -0.60 117.44 117.81 1bw3 n TRP 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1bw3 n TRP 95 Cb 0.00 0.44 0.02 0.00 -0.00 0.00 0.00 31.31 31.77 1bw3 n TRP 95 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1bw3 n ASP 96 N -2.38 1.13 0.00 5.87 5.68 -1.26 -4.05 116.55 121.55 1bw3 n ASP 96 Ca 0.00 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 1bw3 n ASP 96 Cb 0.00 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1bw3 n THR 97 N -0.01 0.00 0.00 2.12 -2.24 -1.26 -4.91 114.28 107.98 1bw3 n THR 97 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1bw3 n THR 97 Cb 0.27 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.70 0.00 0.00 2.28 0.31 -1.26 -4.75 118.33 114.21 1bw3 n VAL 98 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 1bw3 n VAL 98 Cb 0.00 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 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 -1.60 0.00 -0.15 3.52 7.35 -1.26 -2.29 117.46 123.03 1bw3 n PHE 99 Ca 0.00 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.83 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 -0.20 -0.16 -2.13 -2.24 -1.26 0.27 114.28 108.57 1bw3 n THR 100 Ca 0.00 0.96 -0.03 0.00 -2.27 0.00 0.00 64.05 62.71 1bw3 n THR 100 Cb 0.00 -1.55 0.04 0.00 -2.10 0.00 0.00 70.33 66.72 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 0.01 -0.08 -0.78 1.79 -1.75 -0.58 116.57 115.18 1bw3 h LYS 101 Ca 0.39 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1bw3 h LYS 101 Cb 1.01 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1bw3 h LYS 101 CO -0.37 0.01 0.00 0.44 -1.08 0.00 0.00 179.45 178.45 1bw3 n ILE 102 N -5.35 0.08 -3.72 1.86 -5.35 0.14 -4.78 119.36 102.25 1bw3 n ILE 102 Ca 0.05 -0.29 -0.38 0.00 -0.27 0.00 0.00 62.75 61.86 1bw3 n ILE 102 Cb 0.27 0.44 -0.12 0.00 -1.74 0.00 0.00 39.64 38.49 1bw3 n ILE 102 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1bw3 s ASP 103 N -1.83 5.38 -0.01 7.28 1.01 -0.23 -4.77 116.67 123.49 1bw3 s ASP 103 Ca 0.36 -1.34 -0.11 0.00 0.71 0.00 0.00 52.55 52.17 1bw3 s ASP 103 Cb 0.20 -1.89 -0.06 0.00 1.01 0.00 0.00 42.92 42.18 1bw3 s ASP 103 CO 0.31 -0.40 0.63 0.71 0.21 0.00 0.00 175.17 176.62 1bw3 h THR 104 N 6.18 0.00 0.00 -1.27 1.35 -1.86 -3.45 112.91 113.86 1bw3 h THR 104 Ca -0.22 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1bw3 h THR 104 Cb 1.08 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1bw3 h THR 104 CO 0.65 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.46 1bw3 n ASN 105 N -3.92 0.00 0.00 5.36 2.04 -1.26 -5.09 115.26 112.39 1bw3 n ASN 105 Ca -0.05 0.15 0.00 0.00 -0.44 0.00 0.00 54.58 54.24 1bw3 n ASN 105 Cb 0.15 -0.44 0.00 0.00 -2.53 0.00 0.00 39.78 36.96 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1bw3 n GLY 106 N 1.78 0.13 0.08 4.83 0.00 -1.26 -5.04 105.19 105.70 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 0.43 -0.79 -0.61 1.08 -1.99 -3.30 117.51 112.33 1bw3 h ILE 107 Ca 0.00 -1.25 0.18 0.00 -0.39 0.00 0.00 64.86 63.40 1bw3 h ILE 107 Cb 0.00 0.81 -0.12 0.00 -3.07 0.00 0.00 36.82 34.44 1bw3 h ILE 107 CO 0.00 0.14 0.22 1.23 -0.69 0.00 0.00 178.15 179.05 1bw3 h GLY 108 N -1.00 1.16 -0.80 5.37 0.00 -1.97 -1.96 103.07 103.87 1bw3 h GLY 108 Ca -0.01 -0.05 0.15 0.00 0.00 0.00 0.00 47.33 47.42 1bw3 h GLY 108 CO 0.01 -0.24 -0.23 2.98 0.00 0.00 0.00 176.54 179.06 1bw3 n TYR 109 N -5.15 0.23 -0.11 5.60 9.36 -1.24 0.17 117.16 126.01 1bw3 n TYR 109 Ca 0.17 0.98 -0.10 0.00 3.32 0.00 0.00 57.90 62.27 1bw3 n TYR 109 Cb 0.53 -0.93 -0.02 0.00 -0.63 0.00 0.00 39.34 38.29 1bw3 n TYR 109 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1bw3 h GLN 110 N 0.00 0.53 0.00 2.98 4.20 -1.49 -2.64 115.11 118.69 1bw3 h GLN 110 Ca 0.36 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1bw3 h GLN 110 Cb 0.56 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1bw3 h GLN 110 CO -0.82 0.54 0.00 0.37 -0.67 0.00 0.00 178.83 178.25 1bw3 h GLN 111 N 0.41 0.00 -0.27 1.46 -0.00 -0.68 -3.46 115.11 112.57 1bw3 h GLN 111 Ca 0.11 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.65 1bw3 h GLN 111 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.65 1bw3 h GLN 111 CO -0.01 0.00 -0.10 0.41 0.00 0.00 0.00 178.83 179.13 1bw3 n GLY 112 N 0.77 0.71 3.63 2.39 0.00 0.46 -4.94 105.19 108.21 1bw3 n GLY 112 Ca 0.03 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1bw3 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw3 s HIS 113 N -1.87 -0.87 0.42 1.61 -3.43 -1.06 -4.32 115.29 105.76 1bw3 s HIS 113 Ca 0.00 1.99 0.06 0.00 -0.80 0.00 0.00 55.06 56.31 1bw3 s HIS 113 Cb 0.00 0.38 -0.07 0.00 -1.43 0.00 0.00 32.58 31.46 1bw3 s HIS 113 CO 0.00 -0.43 0.01 -1.17 -2.00 0.00 0.00 174.74 171.16 1bw3 s LEU 114 N 0.77 2.81 -0.21 5.38 2.96 0.08 -4.64 118.68 125.84 1bw3 s LEU 114 Ca -0.03 -1.40 -0.04 0.00 -0.22 0.00 0.00 54.13 52.44 1bw3 s LEU 114 Cb -0.05 -0.87 -0.01 0.00 0.50 0.00 0.00 46.19 45.75 1bw3 s LEU 114 CO -0.06 -0.49 -0.03 0.21 -1.32 0.00 0.00 176.35 174.66 1bw3 s ASN 115 N -3.72 4.45 0.28 3.68 2.47 -1.26 -1.10 114.94 119.73 1bw3 s ASN 115 Ca 0.32 -0.33 0.02 0.00 0.42 0.00 0.00 52.86 53.30 1bw3 s ASN 115 Cb 0.09 -1.76 -0.04 0.00 -1.45 0.00 0.00 41.25 38.09 1bw3 s ASN 115 CO 0.17 0.02 0.15 0.68 -3.72 0.00 0.00 177.10 174.39 1bw3 s VAL 116 N 1.25 0.30 0.12 -5.21 -7.23 -1.15 -4.40 120.40 104.09 1bw3 s VAL 116 Ca 0.03 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.29 1bw3 s VAL 116 Cb -0.14 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1bw3 s VAL 116 CO -0.01 0.00 -0.21 0.20 -0.31 0.00 0.00 175.10 174.78 1bw3 s ASN 117 N -3.33 2.65 0.04 4.85 0.01 -0.54 -1.26 114.94 117.36 1bw3 s ASN 117 Ca 0.37 -0.74 -0.25 0.00 -0.71 0.00 0.00 52.86 51.53 1bw3 s ASN 117 Cb 0.06 -0.15 0.06 0.00 0.41 0.00 0.00 41.25 41.63 1bw3 s ASN 117 CO 0.16 0.04 0.57 -0.72 -1.51 0.00 0.00 177.10 175.65 1bw3 s TYR 118 N -1.41 -0.50 0.01 2.20 -0.85 0.04 -0.48 117.35 116.35 1bw3 s TYR 118 Ca 0.10 0.61 0.00 0.00 -0.52 0.00 0.00 57.07 57.26 1bw3 s TYR 118 Cb -0.09 0.40 -0.01 0.00 0.38 0.00 0.00 41.96 42.64 1bw3 s TYR 118 CO 0.05 -0.67 -0.02 -0.65 -1.52 0.00 0.00 175.55 172.74 1bw3 s GLN 119 N -2.35 0.19 0.42 -3.49 -1.52 -0.20 -1.18 119.66 111.52 1bw3 s GLN 119 Ca -0.06 -0.35 -0.26 0.00 -1.95 0.00 0.00 55.36 52.74 1bw3 s GLN 119 Cb -0.01 0.04 -0.09 0.00 -0.22 0.00 0.00 33.01 32.74 1bw3 s GLN 119 CO -0.01 -0.02 1.33 -0.06 -0.25 0.00 0.00 175.29 176.28 1bw3 s PHE 120 N -0.82 2.74 0.27 0.91 0.40 -0.71 -1.07 117.98 119.69 1bw3 s PHE 120 Ca -0.09 1.38 -0.03 0.00 -0.60 0.00 0.00 56.93 57.59 1bw3 s PHE 120 Cb -0.06 -3.72 -0.02 0.00 0.51 0.00 0.00 43.02 39.74 1bw3 s PHE 120 CO -0.01 -2.26 0.33 0.08 0.70 0.00 0.00 175.22 174.06 1bw3 s VAL 121 N -1.25 0.00 0.44 -0.44 1.01 0.10 -4.73 120.40 115.53 1bw3 s VAL 121 Ca 0.58 -1.75 -0.03 0.00 0.00 0.00 0.00 61.98 60.78 1bw3 s VAL 121 Cb -0.39 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1bw3 s VAL 121 CO 0.50 0.00 0.70 -1.81 0.00 0.00 0.00 175.10 174.49 1bw3 s ASP 122 N -3.17 6.21 -0.06 3.32 1.11 -1.26 -0.96 116.67 121.85 1bw3 s ASP 122 Ca 0.33 0.71 0.06 0.00 0.18 0.00 0.00 52.55 53.83 1bw3 s ASP 122 Cb 0.03 -2.10 -0.24 0.00 1.07 0.00 0.00 42.92 41.68 1bw3 s ASP 122 CO 0.16 -0.51 0.58 0.00 1.18 0.00 0.00 175.17 176.57 1bw3 n ARG 124 N -3.19 -0.68 0.00 0.00 1.85 -1.26 -5.10 116.66 108.28 1bw3 n ARG 124 Ca -0.21 -0.18 0.11 0.00 -1.00 0.00 0.00 57.85 56.56 1bw3 n ARG 124 Cb 1.05 -0.97 0.64 0.00 -1.05 0.00 0.00 32.46 32.13 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15