#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 3.98 0.05 5.31 -0.21 -1.26 -4.48 119.66 123.05 1bw3 s GLN 2 Ca 0.00 -0.03 0.08 0.00 0.02 0.00 0.00 55.36 55.43 1bw3 s GLN 2 Cb 0.00 -3.34 -0.03 0.00 1.00 0.00 0.00 33.01 30.64 1bw3 s GLN 2 CO 0.00 0.45 -0.20 0.00 -2.12 0.00 0.00 175.29 173.42 1bw3 s ALA 3 N -0.14 2.53 0.39 6.09 0.00 -0.82 -5.03 121.76 124.77 1bw3 s ALA 3 Ca 0.14 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1bw3 s ALA 3 Cb -0.12 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1bw3 s ALA 3 CO 0.03 0.56 0.14 -0.80 0.00 0.00 0.00 175.76 175.70 1bw3 s ASN 4 N -1.48 2.57 -0.87 0.00 0.02 -1.26 -1.24 114.94 112.68 1bw3 s ASN 4 Ca 0.14 -1.66 -0.24 0.00 -1.02 0.00 0.00 52.86 50.08 1bw3 s ASN 4 Cb -0.10 0.48 0.03 0.00 0.02 0.00 0.00 41.25 41.68 1bw3 s ASN 4 CO 0.05 -0.93 0.50 0.47 0.02 0.00 0.00 177.10 177.21 1bw3 n ASP 5 N -1.27 -3.08 -4.63 -1.22 8.00 -1.13 -4.87 116.55 108.36 1bw3 n ASP 5 Ca -0.04 -0.95 -0.33 0.00 0.71 0.00 0.00 54.79 54.18 1bw3 n ASP 5 Cb 0.65 -1.17 -0.10 0.00 -0.02 0.00 0.00 41.12 40.48 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 -3.79 3.88 -0.46 2.53 1.01 0.60 -4.90 120.40 119.28 1bw3 s VAL 6 Ca 0.33 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 1bw3 s VAL 6 Cb -0.19 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.55 1bw3 s VAL 6 CO 0.72 0.46 0.79 0.00 0.00 0.00 0.00 175.10 177.07 1bw3 s ARG 7 N -1.25 3.39 -0.13 2.72 1.70 -1.26 -0.61 118.95 123.52 1bw3 s ARG 7 Ca 0.16 -0.13 0.00 0.00 -0.47 0.00 0.00 55.73 55.29 1bw3 s ARG 7 Cb -0.11 -3.95 -0.01 0.00 -0.57 0.00 0.00 34.95 30.31 1bw3 s ARG 7 CO 0.06 -1.14 -0.15 0.00 -1.08 0.00 0.00 175.30 172.99 1bw3 s ALA 8 N 3.31 2.54 0.19 7.88 0.00 -0.26 -4.90 121.76 130.51 1bw3 s ALA 8 Ca 0.29 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1bw3 s ALA 8 Cb -0.12 -1.17 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 1bw3 s ALA 8 CO 0.22 0.19 0.02 -2.37 0.00 0.00 0.00 175.76 173.83 1bw3 n THR 9 N 3.64 0.00 -4.07 0.00 5.66 -1.26 -0.39 114.28 117.85 1bw3 n THR 9 Ca -0.18 -0.97 -0.10 0.00 -3.05 0.00 0.00 64.05 59.74 1bw3 n THR 9 Cb 0.53 0.25 -0.11 0.00 -1.55 0.00 0.00 70.33 69.45 1bw3 n THR 9 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1bw3 s TYR 10 N -1.91 0.60 0.28 1.09 -0.85 -1.26 -4.72 117.35 110.58 1bw3 s TYR 10 Ca 0.03 -0.70 -0.03 0.00 -0.52 0.00 0.00 57.07 55.85 1bw3 s TYR 10 Cb 0.00 -0.38 0.01 0.00 0.38 0.00 0.00 41.96 41.98 1bw3 s TYR 10 CO 0.02 -0.18 0.43 1.58 -1.52 0.00 0.00 175.55 175.89 1bw3 n HIS 11 N 0.91 -1.40 -4.69 -3.49 -0.00 -1.26 -5.02 115.22 100.27 1bw3 n HIS 11 Ca -0.19 -1.77 -0.24 0.00 0.46 0.00 0.00 57.72 55.98 1bw3 n HIS 11 Cb 0.57 0.49 -0.15 0.00 -0.12 0.00 0.00 29.99 30.79 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 -3.45 1.57 -0.04 1.57 2.02 -1.26 -4.06 117.35 113.70 1bw3 s TYR 12 Ca 0.21 -0.33 -0.06 0.00 -0.37 0.00 0.00 57.07 56.52 1bw3 s TYR 12 Cb -0.01 -0.97 -0.02 0.00 -0.40 0.00 0.00 41.96 40.55 1bw3 s TYR 12 CO 0.15 0.02 -0.12 0.66 -1.57 0.00 0.00 175.55 174.68 1bw3 n TYR 13 N 2.28 0.00 0.06 2.71 4.02 -1.26 -5.04 117.16 119.93 1bw3 n TYR 13 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1bw3 n TYR 13 Cb 0.54 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 1bw3 n TYR 13 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1bw3 n ARG 14 N -3.40 0.00 0.00 -0.72 3.00 -1.26 -5.09 116.66 109.19 1bw3 n ARG 14 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1bw3 n ARG 14 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.65 1bw3 n ARG 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1bw3 n PRO 15 N -2.85 0.00 0.12 -0.14 -0.04 -1.26 -4.70 135.00 126.13 1bw3 n PRO 15 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1bw3 n PRO 15 Cb 0.00 0.00 0.29 0.00 -0.04 0.00 0.00 33.50 33.75 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 -2.11 0.70 -0.37 0.55 0.00 -1.26 -3.13 120.51 114.89 1bw3 n ALA 16 Ca 0.00 0.10 0.29 0.00 0.00 0.00 0.00 53.44 53.83 1bw3 n ALA 16 Cb 0.00 -0.83 0.56 0.00 0.00 0.00 0.00 19.45 19.17 1bw3 n ALA 16 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bw3 h GLN 17 N 0.00 0.22 -0.79 0.00 5.75 -1.97 0.64 115.11 118.97 1bw3 h GLN 17 Ca 0.00 -0.01 -0.42 0.00 -0.15 0.00 0.00 58.65 58.07 1bw3 h GLN 17 Cb 0.43 -0.05 -0.25 0.00 1.07 0.00 0.00 27.48 28.69 1bw3 h GLN 17 CO 0.00 0.14 0.41 -1.71 -2.65 0.00 0.00 178.83 175.02 1bw3 n ASN 18 N -4.84 3.51 -3.13 -0.69 2.85 -1.18 -4.83 115.26 106.95 1bw3 n ASN 18 Ca 0.33 -3.68 -0.23 0.00 -0.11 0.00 0.00 54.58 50.89 1bw3 n ASN 18 Cb 1.16 -0.77 0.04 0.00 1.24 0.00 0.00 39.78 41.44 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 -1.13 -6.15 -0.42 1.20 5.15 0.22 -4.22 115.26 109.91 1bw3 n ASN 19 Ca 0.51 -0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 1bw3 n ASN 19 Cb 1.42 -4.95 0.00 0.00 -0.53 0.00 0.00 39.78 35.72 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 -4.60 0.00 -0.32 1.20 7.02 -1.17 -4.80 117.44 114.76 1bw3 n TRP 20 Ca -0.09 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.35 1bw3 n TRP 20 Cb 0.61 -1.57 -0.05 0.00 -2.42 0.00 0.00 31.31 27.88 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 0.00 1.73 -0.03 -0.99 2.03 -1.25 -4.25 116.55 113.79 1bw3 n ASP 21 Ca 0.00 -1.83 -0.21 0.00 0.52 0.00 0.00 54.79 53.27 1bw3 n ASP 21 Cb 0.00 -0.47 -0.13 0.00 -0.72 0.00 0.00 41.12 39.80 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 5.82 0.28 -3.50 -2.67 3.38 -1.87 -3.37 115.31 113.38 1bw3 h LEU 22 Ca 0.07 -0.79 -0.39 0.00 0.09 0.00 0.00 57.88 56.86 1bw3 h LEU 22 Cb 0.47 -0.09 -0.23 0.00 0.09 0.00 0.00 40.66 40.90 1bw3 h LEU 22 CO 0.45 1.65 0.50 0.61 0.09 0.00 0.00 178.44 181.74 1bw3 n GLY 23 N 1.73 3.94 3.81 0.83 0.00 -1.26 -1.21 105.19 113.03 1bw3 n GLY 23 Ca -0.29 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.48 3.60 0.13 4.61 0.00 -1.26 -4.84 121.76 121.52 1bw3 s ALA 24 Ca 0.43 0.02 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 1bw3 s ALA 24 Cb 0.36 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.81 1bw3 s ALA 24 CO 0.08 0.41 1.29 -0.35 0.00 0.00 0.00 175.76 177.18 1bw3 n PRO 25 N 1.72 -0.36 -0.49 0.00 -0.04 -1.26 -0.27 135.00 134.30 1bw3 n PRO 25 Ca -0.11 1.26 -0.01 0.00 -0.04 0.00 0.00 63.50 64.60 1bw3 n PRO 25 Cb 0.51 -1.85 0.16 0.00 -0.04 0.00 0.00 33.50 32.28 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 -3.38 3.44 0.06 0.55 0.00 -1.26 -4.39 120.51 115.53 1bw3 n ALA 26 Ca 0.02 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.38 1bw3 n ALA 26 Cb 0.22 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.11 1.04 -2.31 0.00 0.31 0.63 -5.09 118.33 113.02 1bw3 n VAL 27 Ca 0.18 0.34 -0.17 0.00 -0.01 0.00 0.00 64.34 64.69 1bw3 n VAL 27 Cb 0.82 -1.42 0.02 0.00 -0.91 0.00 0.00 33.84 32.35 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 -3.48 -3.24 -4.83 4.52 3.41 -0.85 -4.94 113.62 104.22 1bw3 n SER 28 Ca 0.00 -0.01 -0.36 0.00 -0.26 0.00 0.00 58.87 58.24 1bw3 n SER 28 Cb 0.00 -0.89 -0.06 0.00 -0.26 0.00 0.00 64.21 63.00 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 -0.75 3.55 0.00 7.33 0.00 -0.35 -5.01 121.76 126.53 1bw3 s ALA 29 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1bw3 s ALA 29 Cb -0.02 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1bw3 s ALA 29 CO 0.37 0.42 0.00 0.98 0.00 0.00 0.00 175.76 177.53 1bw3 n TYR 30 N 1.00 0.00 -0.41 0.00 4.19 -1.25 -0.08 117.16 120.60 1bw3 n TYR 30 Ca -0.06 0.00 0.07 0.00 3.31 0.00 0.00 57.90 61.22 1bw3 n TYR 30 Cb 0.51 0.00 0.32 0.00 0.49 0.00 0.00 39.34 40.67 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 3.82 1.89 0.01 0.00 0.00 -0.78 0.19 119.26 124.38 1bw3 h ALA 32 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1bw3 h ALA 32 Cb 1.48 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1bw3 h ALA 32 CO 0.30 -0.57 -0.89 1.15 0.00 0.00 0.00 179.25 179.24 1bw3 h THR 33 N 0.00 1.59 0.00 0.00 2.02 -1.78 -3.21 112.91 111.53 1bw3 h THR 33 Ca 0.14 -2.90 -0.12 0.00 0.77 0.00 0.00 66.41 64.29 1bw3 h THR 33 Cb 0.97 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.95 1bw3 h THR 33 CO -0.00 0.83 -1.68 0.79 0.37 0.00 0.00 175.52 175.83 1bw3 n TRP 34 N -3.54 0.00 -0.09 3.16 8.01 0.41 -4.76 117.44 120.63 1bw3 n TRP 34 Ca -0.02 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.08 1bw3 n TRP 34 Cb 0.84 -0.44 -0.12 0.00 -2.01 0.00 0.00 31.31 29.58 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 -2.21 1.33 -0.35 -0.99 8.00 0.14 -4.52 116.55 117.96 1bw3 n ASP 35 Ca -0.12 -0.03 0.30 0.00 0.71 0.00 0.00 54.79 55.65 1bw3 n ASP 35 Cb 0.64 0.57 0.55 0.00 -0.02 0.00 0.00 41.12 42.86 1bw3 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bw3 h ALA 36 N 0.59 2.21 -0.80 2.24 0.00 -1.66 0.30 119.26 122.14 1bw3 h ALA 36 Ca -0.45 0.20 0.20 0.00 0.00 0.00 0.00 54.91 54.86 1bw3 h ALA 36 Cb 1.94 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.90 1bw3 h ALA 36 CO -0.00 -0.88 0.55 0.66 0.00 0.00 0.00 179.25 179.58 1bw3 h SER 37 N 0.16 0.20 -3.78 0.00 4.64 -1.82 -3.43 113.55 109.53 1bw3 h SER 37 Ca 0.79 0.02 -0.48 0.00 -0.47 0.00 0.00 61.79 61.65 1bw3 h SER 37 Cb 2.07 -0.02 0.20 0.00 -0.31 0.00 0.00 62.40 64.34 1bw3 h SER 37 CO -0.61 0.09 0.12 -0.54 -0.87 0.00 0.00 176.83 175.02 1bw3 s LYS 38 N -5.21 0.08 0.00 4.77 3.01 0.10 -5.04 119.74 117.46 1bw3 s LYS 38 Ca -0.07 1.19 0.00 0.00 -1.01 0.00 0.00 55.97 56.08 1bw3 s LYS 38 Cb 0.21 -1.64 0.00 0.00 -1.01 0.00 0.00 37.83 35.39 1bw3 s LYS 38 CO 0.77 -3.15 0.00 -0.35 0.51 0.00 0.00 175.35 173.12 1bw3 n PRO 39 N -4.56 -0.14 -0.07 -1.68 -0.04 -1.26 -5.02 135.00 122.23 1bw3 n PRO 39 Ca 0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.32 1bw3 n PRO 39 Cb 0.53 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.00 0.12 -0.42 1.53 -0.00 -1.96 -3.32 115.31 111.25 1bw3 h LEU 40 Ca 0.00 -0.65 0.04 0.00 -0.00 0.00 0.00 57.88 57.27 1bw3 h LEU 40 Cb 0.00 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 40.57 1bw3 h LEU 40 CO 0.00 1.55 -0.25 -0.24 -0.00 0.00 0.00 178.44 179.50 1bw3 n SER 41 N -4.22 -0.45 0.27 -0.43 2.88 -1.26 -0.41 113.62 109.99 1bw3 n SER 41 Ca -0.30 1.29 -0.16 0.00 -1.33 0.00 0.00 58.87 58.37 1bw3 n SER 41 Cb 0.76 -0.36 -0.08 0.00 -0.75 0.00 0.00 64.21 63.77 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 -1.19 -1.05 0.66 7.01 -1.97 0.41 115.95 119.80 1bw3 h TRP 42 Ca 0.07 0.01 0.31 0.00 2.11 0.00 0.00 58.89 61.38 1bw3 h TRP 42 Cb 0.17 0.46 -0.13 0.00 -2.10 0.00 0.00 29.16 27.56 1bw3 h TRP 42 CO -0.94 -0.58 0.64 0.00 -2.79 0.00 0.00 178.44 174.76 1bw3 h ARG 43 N -0.89 0.35 0.00 2.65 3.08 -1.55 -0.94 114.38 117.08 1bw3 h ARG 43 Ca -0.06 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1bw3 h ARG 43 Cb 0.76 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1bw3 h ARG 43 CO -0.03 0.23 -0.28 0.66 -1.07 0.00 0.00 179.97 179.48 1bw3 h SER 44 N 0.36 0.00 -0.54 7.04 4.64 -0.57 -3.37 113.55 121.10 1bw3 h SER 44 Ca 0.70 -0.41 0.09 0.00 -0.47 0.00 0.00 61.79 61.69 1bw3 h SER 44 Cb 1.67 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.67 1bw3 h SER 44 CO -0.49 0.86 -0.21 1.17 -0.87 0.00 0.00 176.83 177.30 1bw3 n LYS 45 N -4.64 -0.12 -4.42 4.77 4.81 0.14 -3.84 118.16 114.86 1bw3 n LYS 45 Ca -0.10 0.84 -0.34 0.00 -0.87 0.00 0.00 58.31 57.84 1bw3 n LYS 45 Cb 0.31 -1.24 -0.13 0.00 0.02 0.00 0.00 35.03 33.98 1bw3 n LYS 45 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1bw3 s TYR 46 N -5.52 2.92 0.85 5.64 5.04 -0.44 -5.08 117.35 120.76 1bw3 s TYR 46 Ca -0.08 -0.61 -0.13 0.00 -2.44 0.00 0.00 57.07 53.81 1bw3 s TYR 46 Cb 0.11 -1.95 0.04 0.00 0.35 0.00 0.00 41.96 40.51 1bw3 s TYR 46 CO 0.39 -0.24 0.75 0.41 -1.34 0.00 0.00 175.55 175.51 1bw3 n GLY 47 N 3.87 -1.13 2.50 8.97 0.00 -1.25 -4.62 105.19 113.54 1bw3 n GLY 47 Ca -0.18 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 1bw3 n GLY 47 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1bw3 n TRP 48 N -3.29 -1.96 -0.01 1.61 4.27 -1.26 -0.42 117.44 116.37 1bw3 n TRP 48 Ca 0.10 -2.60 0.00 0.00 -3.89 0.00 0.00 57.50 51.11 1bw3 n TRP 48 Cb 0.52 0.71 0.00 0.00 -1.36 0.00 0.00 31.31 31.18 1bw3 n TRP 48 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 1bw3 n THR 49 N 1.39 0.00 -4.09 -1.67 -2.24 0.13 -4.48 114.28 103.33 1bw3 n THR 49 Ca 0.14 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.66 1bw3 n THR 49 Cb 0.60 -0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.43 1bw3 n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bw3 s ALA 50 N -3.99 3.99 -1.12 6.98 0.00 -1.26 -1.05 121.76 125.32 1bw3 s ALA 50 Ca 0.00 -1.55 -0.21 0.00 0.00 0.00 0.00 51.96 50.20 1bw3 s ALA 50 Cb 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.68 1bw3 s ALA 50 CO 0.00 -0.25 1.57 0.12 0.00 0.00 0.00 175.76 177.20 1bw3 s PHE 51 N -2.69 2.59 -0.38 0.00 5.36 0.04 -4.74 117.98 118.16 1bw3 s PHE 51 Ca 0.34 -1.06 0.08 0.00 -0.96 0.00 0.00 56.93 55.33 1bw3 s PHE 51 Cb 0.01 -4.69 0.44 0.00 -0.34 0.00 0.00 43.02 38.43 1bw3 s PHE 51 CO 0.20 -1.88 1.11 0.00 -1.46 0.00 0.00 175.22 173.19 1bw3 s GLY 53 N -3.52 -0.99 0.00 0.00 0.00 -1.26 -4.98 107.32 96.57 1bw3 s GLY 53 Ca 0.46 0.34 0.02 0.00 0.00 0.00 0.00 44.72 45.53 1bw3 s GLY 53 CO -0.10 3.45 1.02 -1.05 0.00 0.00 0.00 173.10 176.41 1bw3 n PRO 54 N 4.89 0.95 -1.12 2.90 -0.02 -1.26 -4.62 135.00 136.72 1bw3 n PRO 54 Ca 0.07 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.33 1bw3 n PRO 54 Cb 0.53 -1.03 -0.12 0.00 -0.02 0.00 0.00 33.50 32.87 1bw3 n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw3 n ALA 55 N -0.53 6.84 0.00 3.55 0.00 -1.26 -4.80 120.51 124.31 1bw3 n ALA 55 Ca 0.01 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 50.97 1bw3 n ALA 55 Cb 0.01 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 16.73 1bw3 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw3 n GLY 56 N 2.90 4.10 3.55 0.00 0.00 -1.26 0.26 105.19 114.74 1bw3 n GLY 56 Ca 0.57 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.81 2.54 0.22 1.61 0.04 -1.26 -4.87 135.00 130.47 1bw3 s PRO 57 Ca 0.00 0.73 -0.14 0.00 0.04 0.00 0.00 61.00 61.62 1bw3 s PRO 57 Cb 0.00 -4.43 0.01 0.00 0.04 0.00 0.00 34.50 30.12 1bw3 s PRO 57 CO 0.00 -2.83 0.47 0.50 0.04 0.00 0.00 177.00 175.18 1bw3 s ARG 58 N 7.25 1.43 0.00 4.56 3.52 -1.26 -5.04 118.95 129.41 1bw3 s ARG 58 Ca 0.72 -1.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.23 1bw3 s ARG 58 Cb -0.13 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.74 1bw3 s ARG 58 CO 0.21 -0.59 0.00 0.41 -0.81 0.00 0.00 175.30 174.52 1bw3 n GLY 59 N -0.34 3.53 0.00 8.12 0.00 -1.26 -5.01 105.19 110.22 1bw3 n GLY 59 Ca -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 -1.96 1.61 6.02 -1.26 -4.55 117.38 117.24 1bw3 n GLN 60 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 1bw3 n GLN 60 Cb 0.00 -0.08 -0.01 0.00 1.02 0.00 0.00 30.24 31.17 1bw3 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw3 n ALA 61 N -2.56 6.80 0.83 -1.58 0.00 -1.26 -4.48 120.51 118.27 1bw3 n ALA 61 Ca 0.00 -4.06 0.11 0.00 0.00 0.00 0.00 53.44 49.50 1bw3 n ALA 61 Cb 0.00 -2.82 0.05 0.00 0.00 0.00 0.00 19.45 16.68 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 1.94 3.84 0.48 0.00 0.00 -1.26 -4.42 120.51 121.09 1bw3 n ALA 62 Ca 0.63 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1bw3 n ALA 62 Cb 0.25 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.75 -1.61 3.35 0.00 0.00 -1.26 -5.05 105.19 101.37 1bw3 n GLY 64 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.82 0.29 1.61 1.02 -0.42 -4.90 119.74 119.16 1bw3 s LYS 65 Ca 0.00 -1.10 0.09 0.00 0.02 0.00 0.00 55.97 54.98 1bw3 s LYS 65 Cb 0.00 -1.99 -0.06 0.00 -0.52 0.00 0.00 37.83 35.26 1bw3 s LYS 65 CO 0.00 0.51 -0.13 0.00 -0.92 0.00 0.00 175.35 174.82 1bw3 s LEU 67 N -3.51 2.09 -0.29 0.00 1.43 0.73 -0.55 118.68 118.58 1bw3 s LEU 67 Ca 0.30 -0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 52.66 1bw3 s LEU 67 Cb -0.00 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1bw3 s LEU 67 CO 0.14 0.20 0.66 -0.60 0.23 0.00 0.00 176.35 176.98 1bw3 s ARG 68 N 0.11 3.96 -0.17 1.70 3.52 0.31 -0.31 118.95 128.07 1bw3 s ARG 68 Ca -0.12 0.42 -0.08 0.00 -0.13 0.00 0.00 55.73 55.82 1bw3 s ARG 68 Cb -0.16 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.48 1bw3 s ARG 68 CO 0.06 -0.56 0.09 0.08 -0.81 0.00 0.00 175.30 174.17 1bw3 s VAL 69 N 2.65 5.09 0.05 7.11 1.01 0.30 -1.69 120.40 134.93 1bw3 s VAL 69 Ca 0.27 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1bw3 s VAL 69 Cb -0.15 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1bw3 s VAL 69 CO 0.11 0.50 -0.15 -0.89 0.00 0.00 0.00 175.10 174.67 1bw3 s THR 70 N -0.02 1.16 -0.47 3.92 2.01 0.05 0.04 115.64 122.32 1bw3 s THR 70 Ca 0.08 -1.10 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 1bw3 s THR 70 Cb -0.12 -1.06 0.12 0.00 0.01 0.00 0.00 72.50 71.46 1bw3 s THR 70 CO 0.00 -0.04 0.26 0.21 -0.69 0.00 0.00 174.62 174.36 1bw3 s ASN 71 N -1.31 5.17 0.07 3.53 2.47 0.40 -0.38 114.94 124.89 1bw3 s ASN 71 Ca 0.01 -2.32 -0.16 0.00 0.42 0.00 0.00 52.86 50.81 1bw3 s ASN 71 Cb -0.08 -1.81 -0.05 0.00 -1.45 0.00 0.00 41.25 37.85 1bw3 s ASN 71 CO 0.02 -0.47 1.26 -0.65 -3.72 0.00 0.00 177.10 173.54 1bw3 h PRO 72 N 7.65 -0.16 -0.62 0.43 0.10 -1.88 0.33 132.00 137.86 1bw3 h PRO 72 Ca -0.09 0.01 0.12 0.00 0.10 0.00 0.00 66.00 66.14 1bw3 h PRO 72 Cb 1.01 0.04 -0.12 0.00 0.10 0.00 0.00 31.00 32.03 1bw3 h PRO 72 CO 0.69 -0.11 -0.16 0.00 0.10 0.00 0.00 178.00 178.52 1bw3 n ALA 73 N -2.92 0.13 -0.06 -0.75 0.00 -1.26 -1.91 120.51 113.74 1bw3 n ALA 73 Ca -0.01 0.68 -0.15 0.00 0.00 0.00 0.00 53.44 53.95 1bw3 n ALA 73 Cb 0.16 -0.40 -0.14 0.00 0.00 0.00 0.00 19.45 19.07 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 -5.01 1.58 0.00 0.00 -2.24 -0.57 -5.02 114.28 103.03 1bw3 n THR 74 Ca 0.10 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1bw3 n THR 74 Cb 0.31 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 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 1.92 0.35 3.86 3.38 0.00 0.00 -5.08 105.19 109.63 1bw3 n GLY 75 Ca -0.33 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 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 3.25 -0.08 4.61 0.00 -1.26 -4.83 121.76 121.46 1bw3 s ALA 76 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.80 1bw3 s ALA 76 Cb 0.00 -2.86 0.03 0.00 0.00 0.00 0.00 23.12 20.29 1bw3 s ALA 76 CO 0.00 0.00 0.36 1.14 0.00 0.00 0.00 175.76 177.27 1bw3 s GLN 77 N -3.70 0.59 0.37 0.00 0.00 -1.26 -0.45 119.66 115.21 1bw3 s GLN 77 Ca 0.55 0.16 0.03 0.00 -0.00 0.00 0.00 55.36 56.10 1bw3 s GLN 77 Cb -0.10 0.27 -0.04 0.00 0.00 0.00 0.00 33.01 33.14 1bw3 s GLN 77 CO 0.27 -0.13 0.10 -1.50 0.00 0.00 0.00 175.29 174.03 1bw3 s ILE 78 N -0.62 0.84 -0.23 3.63 1.10 0.11 -4.95 121.20 121.09 1bw3 s ILE 78 Ca -0.07 -2.00 -0.03 0.00 -0.51 0.00 0.00 60.65 58.04 1bw3 s ILE 78 Cb -0.04 -2.52 0.00 0.00 0.15 0.00 0.00 42.46 40.05 1bw3 s ILE 78 CO 0.03 0.00 -0.06 -0.89 -2.11 0.00 0.00 174.94 171.91 1bw3 s THR 79 N -3.26 3.10 0.02 4.00 2.01 -1.26 -0.54 115.64 119.71 1bw3 s THR 79 Ca 0.28 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.62 1bw3 s THR 79 Cb 0.05 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1bw3 s THR 79 CO 0.14 0.37 -0.02 0.00 -0.69 0.00 0.00 174.62 174.42 1bw3 s ALA 80 N 1.42 3.22 -0.07 7.40 0.00 0.58 -3.75 121.76 130.55 1bw3 s ALA 80 Ca 0.04 -1.00 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 1bw3 s ALA 80 Cb -0.15 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 1bw3 s ALA 80 CO -0.05 0.65 0.34 0.50 0.00 0.00 0.00 175.76 177.20 1bw3 s ARG 81 N -1.68 3.96 -0.83 0.00 3.52 0.44 -0.20 118.95 124.15 1bw3 s ARG 81 Ca 0.20 0.24 -0.19 0.00 -0.13 0.00 0.00 55.73 55.85 1bw3 s ARG 81 Cb -0.11 -3.29 0.12 0.00 -1.56 0.00 0.00 34.95 30.11 1bw3 s ARG 81 CO 0.11 0.54 1.04 0.42 -0.81 0.00 0.00 175.30 176.61 1bw3 s ILE 82 N -0.52 4.67 -0.05 4.11 1.01 -0.55 0.20 121.20 130.07 1bw3 s ILE 82 Ca 0.21 -1.27 0.03 0.00 0.00 0.00 0.00 60.65 59.61 1bw3 s ILE 82 Cb -0.15 -4.72 -0.05 0.00 0.01 0.00 0.00 42.46 37.55 1bw3 s ILE 82 CO 0.09 -1.45 -0.01 0.55 0.00 0.00 0.00 174.94 174.13 1bw3 n VAL 83 N 5.56 0.30 -3.05 2.92 3.14 -0.21 -4.37 118.33 122.63 1bw3 n VAL 83 Ca 0.14 -0.16 -0.05 0.00 -2.96 0.00 0.00 64.34 61.31 1bw3 n VAL 83 Cb 0.48 -0.82 0.02 0.00 -1.06 0.00 0.00 33.84 32.45 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 -2.32 0.62 -4.41 6.55 8.00 -0.91 -2.53 116.55 121.55 1bw3 n ASP 84 Ca -0.08 -1.42 -0.21 0.00 0.71 0.00 0.00 54.79 53.79 1bw3 n ASP 84 Cb 0.63 -0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.52 1bw3 n ASP 84 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1bw3 s GLN 85 N -2.70 1.51 0.25 -1.24 -0.21 -1.26 -0.78 119.66 115.22 1bw3 s GLN 85 Ca 0.16 -1.73 0.03 0.00 0.02 0.00 0.00 55.36 53.84 1bw3 s GLN 85 Cb -0.01 -1.24 -0.01 0.00 1.00 0.00 0.00 33.01 32.74 1bw3 s GLN 85 CO 0.10 0.12 0.12 0.00 -2.12 0.00 0.00 175.29 173.52 1bw3 n ALA 87 N -1.68 3.00 0.00 0.00 0.00 -1.26 -4.97 120.51 115.59 1bw3 n ALA 87 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1bw3 n ALA 87 Cb 0.39 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -3.38 1.12 -0.78 0.00 6.94 -1.26 -5.14 115.26 112.76 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 0.11 0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 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 1.73 4.50 0.00 4.83 0.00 -1.26 -5.03 105.19 109.96 1bw3 n GLY 89 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 0.62 0.18 0.30 -0.02 0.00 -1.26 -4.78 105.19 100.23 1bw3 n GLY 90 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 -3.95 0.99 7.94 -1.26 -4.73 117.00 115.98 1bw3 n LEU 91 Ca 0.00 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.60 1bw3 n LEU 91 Cb 0.00 -0.06 -0.16 0.00 0.53 0.00 0.00 43.42 43.73 1bw3 n LEU 91 CO 0.00 0.00 -0.43 1.51 -1.11 0.00 0.00 177.39 177.36 1bw3 s ASP 92 N -2.11 3.72 0.00 1.96 -4.77 -1.26 -4.78 116.67 109.42 1bw3 s ASP 92 Ca 0.00 -1.09 0.00 0.00 -3.30 0.00 0.00 52.55 48.16 1bw3 s ASP 92 Cb 0.00 -1.19 0.00 0.00 -1.09 0.00 0.00 42.92 40.64 1bw3 s ASP 92 CO 0.00 -0.21 0.00 0.18 0.70 0.00 0.00 175.17 175.84 1bw3 n LEU 93 N 4.68 0.00 -4.55 2.11 4.32 -1.26 -4.72 117.00 117.57 1bw3 n LEU 93 Ca -0.13 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.43 1bw3 n LEU 93 Cb 0.45 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.21 1bw3 n LEU 93 CO 0.18 0.00 0.76 -0.62 -1.22 0.00 0.00 177.39 176.49 1bw3 s ASP 94 N 0.10 6.44 -1.48 -1.43 2.15 -1.26 -4.05 116.67 117.13 1bw3 s ASP 94 Ca 0.00 -0.05 -0.18 0.00 0.43 0.00 0.00 52.55 52.75 1bw3 s ASP 94 Cb 0.00 -2.45 0.18 0.00 -0.30 0.00 0.00 42.92 40.35 1bw3 s ASP 94 CO 0.00 -1.13 0.45 1.87 -0.17 0.00 0.00 175.17 176.20 1bw3 n TRP 95 N 7.31 -0.92 -3.42 -5.34 -0.00 -1.26 -0.42 117.44 113.39 1bw3 n TRP 95 Ca 0.05 0.54 -0.21 0.00 -0.00 0.00 0.00 57.50 57.88 1bw3 n TRP 95 Cb 0.48 -1.50 0.00 0.00 -0.00 0.00 0.00 31.31 30.29 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 -1.80 -3.71 0.16 5.87 -0.08 -1.26 -4.68 116.55 111.05 1bw3 n ASP 96 Ca 0.08 -0.67 0.03 0.00 -1.51 0.00 0.00 54.79 52.72 1bw3 n ASP 96 Cb 0.36 -1.21 0.17 0.00 2.34 0.00 0.00 41.12 42.78 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1bw3 n THR 97 N -1.88 0.31 -0.03 5.18 -2.24 0.44 -2.14 114.28 113.93 1bw3 n THR 97 Ca -0.23 0.74 -0.02 0.00 -2.27 0.00 0.00 64.05 62.27 1bw3 n THR 97 Cb 0.53 -1.74 -0.01 0.00 -2.10 0.00 0.00 70.33 67.02 1bw3 n THR 97 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1bw3 h VAL 98 N 0.00 0.00 -0.94 2.28 2.07 -1.86 -3.37 116.25 114.43 1bw3 h VAL 98 Ca 0.00 -0.40 0.13 0.00 0.82 0.00 0.00 66.70 67.25 1bw3 h VAL 98 Cb 1.04 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.67 1bw3 h VAL 98 CO 0.00 0.00 -0.41 0.33 0.02 0.00 0.00 177.57 177.51 1bw3 n PHE 99 N -3.20 -0.07 1.30 1.57 7.35 -0.91 -1.05 117.46 122.45 1bw3 n PHE 99 Ca -0.03 1.16 0.11 0.00 -0.76 0.00 0.00 57.45 57.94 1bw3 n PHE 99 Cb 0.10 -0.79 0.41 0.00 0.35 0.00 0.00 39.48 39.55 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 -5.34 0.17 0.07 -2.13 -2.24 -1.21 -4.06 114.28 99.53 1bw3 n THR 100 Ca 0.08 -0.32 0.09 0.00 -2.27 0.00 0.00 64.05 61.63 1bw3 n THR 100 Cb 0.35 0.37 -0.13 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.26 0.62 0.06 -0.78 5.02 -0.21 -4.72 118.16 118.41 1bw3 n LYS 101 Ca 0.17 -0.14 -0.03 0.00 -2.02 0.00 0.00 58.31 56.29 1bw3 n LYS 101 Cb 0.33 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 1bw3 n LYS 101 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1bw3 h ILE 102 N 0.00 0.00 0.00 -0.18 3.07 -1.57 -3.49 117.51 115.33 1bw3 h ILE 102 Ca 0.00 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.24 1bw3 h ILE 102 Cb 0.75 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.30 1bw3 h ILE 102 CO 0.00 0.00 0.00 -0.67 -1.05 0.00 0.00 178.15 176.43 1bw3 n ASP 103 N -2.95 0.00 -0.51 2.16 -0.08 -1.26 -4.75 116.55 109.16 1bw3 n ASP 103 Ca -0.02 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.20 1bw3 n ASP 103 Cb 0.07 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.52 1bw3 n ASP 103 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1bw3 n THR 104 N -0.59 0.08 0.00 5.18 -2.24 -1.26 -4.96 114.28 110.49 1bw3 n THR 104 Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1bw3 n THR 104 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.19 0.00 -2.50 3.42 6.94 -1.26 -4.74 115.26 117.32 1bw3 n ASN 105 Ca 0.02 0.24 -0.15 0.00 -0.02 0.00 0.00 54.58 54.68 1bw3 n ASN 105 Cb 0.02 -0.24 0.03 0.00 -2.36 0.00 0.00 39.78 37.22 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 2.25 3.92 0.06 4.83 0.00 -1.26 -4.84 105.19 110.15 1bw3 n GLY 106 Ca 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 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 3.38 1.46 0.05 -0.61 1.08 -2.00 -3.35 117.51 117.52 1bw3 h ILE 107 Ca 0.11 -1.43 -0.32 0.00 -0.39 0.00 0.00 64.86 62.83 1bw3 h ILE 107 Cb 1.24 2.42 -0.04 0.00 -3.07 0.00 0.00 36.82 37.37 1bw3 h ILE 107 CO 0.57 0.37 -1.79 1.23 -0.69 0.00 0.00 178.15 177.83 1bw3 h GLY 108 N -0.63 0.11 -0.75 5.37 0.00 -1.90 -3.39 103.07 101.87 1bw3 h GLY 108 Ca -0.00 -0.28 0.09 0.00 0.00 0.00 0.00 47.33 47.14 1bw3 h GLY 108 CO 0.00 0.24 -0.37 2.98 0.00 0.00 0.00 176.54 179.40 1bw3 n TYR 109 N -3.20 -0.16 -0.58 5.60 4.19 -1.26 -0.12 117.16 121.63 1bw3 n TYR 109 Ca -0.22 0.93 0.47 0.00 3.31 0.00 0.00 57.90 62.40 1bw3 n TYR 109 Cb 1.05 -0.67 0.79 0.00 0.49 0.00 0.00 39.34 41.00 1bw3 n TYR 109 CO 0.00 0.00 0.00 1.96 0.91 0.00 0.00 176.86 179.73 1bw3 h GLN 110 N 0.00 0.01 0.00 2.98 1.08 -1.77 0.21 115.11 117.62 1bw3 h GLN 110 Ca 0.19 -0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 57.05 1bw3 h GLN 110 Cb 0.38 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.74 1bw3 h GLN 110 CO -0.72 0.01 -2.27 1.04 -0.95 0.00 0.00 178.83 175.93 1bw3 n GLN 111 N -4.08 0.88 0.00 1.46 1.13 0.83 -5.01 117.38 112.59 1bw3 n GLN 111 Ca 0.39 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.49 1bw3 n GLN 111 Cb 1.75 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 30.64 1bw3 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bw3 n GLY 112 N 2.05 1.24 3.28 1.08 0.00 0.73 -5.07 105.19 108.48 1bw3 n GLY 112 Ca -0.33 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.79 1.76 0.35 1.61 -3.43 -1.22 -4.27 115.29 109.30 1bw3 s HIS 113 Ca 0.00 -0.42 0.09 0.00 -0.80 0.00 0.00 55.06 53.94 1bw3 s HIS 113 Cb 0.00 -0.97 -0.07 0.00 -1.43 0.00 0.00 32.58 30.11 1bw3 s HIS 113 CO 0.00 0.19 -0.08 -1.17 -2.00 0.00 0.00 174.74 171.68 1bw3 s LEU 114 N -1.86 2.75 -0.42 5.38 2.96 0.47 -4.56 118.68 123.41 1bw3 s LEU 114 Ca 0.06 -1.21 -0.09 0.00 -0.22 0.00 0.00 54.13 52.67 1bw3 s LEU 114 Cb -0.10 -1.00 0.08 0.00 0.50 0.00 0.00 46.19 45.67 1bw3 s LEU 114 CO 0.04 -0.23 0.26 0.21 -1.32 0.00 0.00 176.35 175.31 1bw3 s ASN 115 N -3.62 5.63 0.54 3.68 2.47 -1.26 -1.10 114.94 121.28 1bw3 s ASN 115 Ca 0.33 -1.50 0.01 0.00 0.42 0.00 0.00 52.86 52.11 1bw3 s ASN 115 Cb 0.03 -1.99 0.01 0.00 -1.45 0.00 0.00 41.25 37.86 1bw3 s ASN 115 CO 0.17 -0.54 0.08 1.33 -3.72 0.00 0.00 177.10 174.42 1bw3 n VAL 116 N 4.91 0.00 -4.20 -5.21 0.24 0.22 -4.31 118.33 109.99 1bw3 n VAL 116 Ca -0.10 -2.45 -0.14 0.00 -2.04 0.00 0.00 64.34 59.62 1bw3 n VAL 116 Cb 0.43 0.40 -0.10 0.00 -1.47 0.00 0.00 33.84 33.09 1bw3 n VAL 116 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1bw3 s ASN 117 N -3.98 1.51 -0.09 -1.34 0.01 0.49 -0.29 114.94 111.25 1bw3 s ASN 117 Ca 0.06 -0.90 -0.08 0.00 -0.71 0.00 0.00 52.86 51.23 1bw3 s ASN 117 Cb -0.00 0.02 0.03 0.00 0.41 0.00 0.00 41.25 41.70 1bw3 s ASN 117 CO 0.04 -0.31 0.23 -0.72 -1.51 0.00 0.00 177.10 174.83 1bw3 s TYR 118 N -2.89 -0.27 0.10 2.20 -0.85 -0.37 -0.77 117.35 114.51 1bw3 s TYR 118 Ca 0.10 0.65 0.10 0.00 -0.52 0.00 0.00 57.07 57.40 1bw3 s TYR 118 Cb 0.00 0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.38 1bw3 s TYR 118 CO -0.01 -0.14 -0.27 -0.65 -1.52 0.00 0.00 175.55 172.97 1bw3 s GLN 119 N 0.30 1.54 0.16 -3.49 1.11 -0.68 -1.94 119.66 116.66 1bw3 s GLN 119 Ca -0.01 -1.26 -0.30 0.00 0.01 0.00 0.00 55.36 53.80 1bw3 s GLN 119 Cb -0.03 -1.92 -0.08 0.00 -1.01 0.00 0.00 33.01 29.97 1bw3 s GLN 119 CO -0.01 0.47 1.28 -0.06 0.01 0.00 0.00 175.29 176.98 1bw3 s PHE 120 N -0.97 3.32 0.11 0.91 0.40 -1.26 -0.53 117.98 119.96 1bw3 s PHE 120 Ca 0.13 1.22 -0.13 0.00 -0.60 0.00 0.00 56.93 57.55 1bw3 s PHE 120 Cb -0.10 -3.55 0.02 0.00 0.51 0.00 0.00 43.02 39.90 1bw3 s PHE 120 CO 0.04 -1.74 0.32 0.54 0.70 0.00 0.00 175.22 175.08 1bw3 s VAL 121 N 0.41 0.10 0.28 -0.44 0.11 0.29 -4.81 120.40 116.34 1bw3 s VAL 121 Ca 0.58 -0.81 -0.09 0.00 -2.93 0.00 0.00 61.98 58.73 1bw3 s VAL 121 Cb -0.35 -1.22 -0.07 0.00 -1.53 0.00 0.00 36.38 33.22 1bw3 s VAL 121 CO 0.35 -0.45 0.60 -0.62 -3.33 0.00 0.00 175.10 171.65 1bw3 s ASP 122 N -2.80 6.56 -0.02 3.54 -1.08 -1.26 -0.89 116.67 120.72 1bw3 s ASP 122 Ca 0.03 0.92 0.13 0.00 -0.52 0.00 0.00 52.55 53.11 1bw3 s ASP 122 Cb 0.03 -2.23 -0.22 0.00 -1.46 0.00 0.00 42.92 39.05 1bw3 s ASP 122 CO -0.11 -0.18 0.72 0.00 0.52 0.00 0.00 175.17 176.12 1bw3 n ARG 124 N -3.05 -0.79 0.00 0.00 3.00 -1.26 -5.15 116.66 109.42 1bw3 n ARG 124 Ca -0.15 0.34 0.14 0.00 -0.00 0.00 0.00 57.85 58.17 1bw3 n ARG 124 Cb 1.02 -1.12 0.52 0.00 0.00 0.00 0.00 32.46 32.88 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16