#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 3.83 0.07 3.49 -0.21 -1.26 -3.85 119.66 121.73 1bw3 s GLN 2 Ca 0.00 -0.37 0.04 0.00 0.02 0.00 0.00 55.36 55.05 1bw3 s GLN 2 Cb 0.00 -3.13 -0.03 0.00 1.00 0.00 0.00 33.01 30.85 1bw3 s GLN 2 CO 0.00 0.32 -0.11 0.00 -2.12 0.00 0.00 175.29 173.38 1bw3 s ALA 3 N 0.21 0.98 0.29 6.09 0.00 -0.59 -4.99 121.76 123.75 1bw3 s ALA 3 Ca 0.03 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1bw3 s ALA 3 Cb -0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 1bw3 s ALA 3 CO 0.01 0.06 0.09 0.54 0.00 0.00 0.00 175.76 176.46 1bw3 s ASN 4 N -1.88 1.68 -0.64 0.00 2.20 -1.26 -0.87 114.94 114.17 1bw3 s ASN 4 Ca -0.02 -1.41 -0.17 0.00 -0.94 0.00 0.00 52.86 50.31 1bw3 s ASN 4 Cb -0.08 0.12 0.02 0.00 -2.00 0.00 0.00 41.25 39.31 1bw3 s ASN 4 CO 0.01 -0.71 0.33 0.47 -2.94 0.00 0.00 177.10 174.26 1bw3 n ASP 5 N -0.61 -1.96 -4.77 3.54 9.92 -1.15 -4.89 116.55 116.63 1bw3 n ASP 5 Ca -0.01 -0.68 -0.29 0.00 -0.53 0.00 0.00 54.79 53.28 1bw3 n ASP 5 Cb 0.66 -0.82 -0.06 0.00 -0.64 0.00 0.00 41.12 40.26 1bw3 n ASP 5 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1bw3 s VAL 6 N -4.21 4.46 -0.48 2.53 1.01 -0.27 -4.90 120.40 118.54 1bw3 s VAL 6 Ca 0.24 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 61.05 1bw3 s VAL 6 Cb -0.14 -3.18 0.03 0.00 0.00 0.00 0.00 36.38 33.09 1bw3 s VAL 6 CO 0.51 0.05 1.11 -0.60 0.00 0.00 0.00 175.10 176.17 1bw3 s ARG 7 N -2.60 3.69 -0.49 2.72 3.52 -1.26 -3.10 118.95 121.43 1bw3 s ARG 7 Ca 0.29 0.50 -0.16 0.00 -0.13 0.00 0.00 55.73 56.24 1bw3 s ARG 7 Cb -0.11 -3.91 0.08 0.00 -1.56 0.00 0.00 34.95 29.44 1bw3 s ARG 7 CO 0.22 -1.36 0.44 0.00 -0.81 0.00 0.00 175.30 173.79 1bw3 s ALA 8 N 4.36 3.55 0.33 6.12 0.00 -0.90 -4.45 121.76 130.78 1bw3 s ALA 8 Ca 0.46 -2.14 0.07 0.00 0.00 0.00 0.00 51.96 50.35 1bw3 s ALA 8 Cb -0.07 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 1bw3 s ALA 8 CO 0.31 -1.81 0.41 0.95 0.00 0.00 0.00 175.76 175.62 1bw3 s THR 9 N 1.76 4.02 0.25 0.00 -4.23 -1.26 -3.09 115.64 113.08 1bw3 s THR 9 Ca 0.05 -1.11 0.11 0.00 -1.18 0.00 0.00 61.69 59.57 1bw3 s THR 9 Cb -0.25 -3.38 -0.05 0.00 1.34 0.00 0.00 72.50 70.17 1bw3 s THR 9 CO 0.07 -0.18 -0.20 -0.72 -0.54 0.00 0.00 174.62 173.05 1bw3 s TYR 10 N -2.20 2.17 0.27 3.99 1.13 -1.26 -3.35 117.35 118.10 1bw3 s TYR 10 Ca 0.43 -0.38 0.00 0.00 -1.41 0.00 0.00 57.07 55.71 1bw3 s TYR 10 Cb -0.08 -0.98 -0.03 0.00 -1.10 0.00 0.00 41.96 39.77 1bw3 s TYR 10 CO 0.30 0.60 0.27 -3.38 -2.51 0.00 0.00 175.55 170.82 1bw3 s HIS 11 N -2.40 1.26 -0.22 -3.49 -3.43 -1.26 -5.06 115.29 100.69 1bw3 s HIS 11 Ca 0.26 -1.39 -0.02 0.00 -0.80 0.00 0.00 55.06 53.11 1bw3 s HIS 11 Cb -0.05 -0.46 0.06 0.00 -1.43 0.00 0.00 32.58 30.70 1bw3 s HIS 11 CO 0.12 -0.83 0.02 0.71 -2.00 0.00 0.00 174.74 172.77 1bw3 s TYR 12 N -3.75 1.45 0.00 0.38 2.02 -1.26 -4.60 117.35 111.60 1bw3 s TYR 12 Ca 0.37 -1.18 0.00 0.00 -0.37 0.00 0.00 57.07 55.89 1bw3 s TYR 12 Cb 0.04 -1.24 0.00 0.00 -0.40 0.00 0.00 41.96 40.36 1bw3 s TYR 12 CO 0.18 -0.68 0.00 0.66 -1.57 0.00 0.00 175.55 174.14 1bw3 n TYR 13 N 4.93 0.00 -3.74 2.71 4.02 -1.16 -5.00 117.16 118.92 1bw3 n TYR 13 Ca -0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.66 1bw3 n TYR 13 Cb 0.46 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.69 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 0.49 0.64 0.00 -0.72 1.81 -1.26 -4.66 118.95 115.25 1bw3 s ARG 14 Ca 0.00 0.05 0.00 0.00 -1.72 0.00 0.00 55.73 54.06 1bw3 s ARG 14 Cb 0.00 0.29 0.00 0.00 -0.45 0.00 0.00 34.95 34.79 1bw3 s ARG 14 CO 0.00 -0.16 0.00 -0.35 -0.68 0.00 0.00 175.30 174.11 1bw3 n PRO 15 N 1.69 2.76 -0.19 3.54 -0.04 -1.26 -4.32 135.00 137.18 1bw3 n PRO 15 Ca -0.19 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.26 1bw3 n PRO 15 Cb 0.56 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.02 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 -3.00 2.40 -1.00 0.55 0.00 -1.26 -2.36 120.51 115.84 1bw3 n ALA 16 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1bw3 n ALA 16 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1bw3 n ALA 16 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bw3 n GLN 17 N 1.98 0.00 -2.02 0.00 7.27 -1.26 -4.05 117.38 119.30 1bw3 n GLN 17 Ca 0.02 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.69 1bw3 n GLN 17 Cb 0.19 -0.49 -0.00 0.00 2.41 0.00 0.00 30.24 32.34 1bw3 n GLN 17 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1bw3 n ASN 18 N -0.46 7.33 -3.40 1.69 5.15 -1.26 -4.57 115.26 119.74 1bw3 n ASN 18 Ca 0.00 -3.08 -0.17 0.00 -0.60 0.00 0.00 54.58 50.73 1bw3 n ASN 18 Cb 0.00 -1.41 0.09 0.00 -0.53 0.00 0.00 39.78 37.93 1bw3 n ASN 18 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bw3 n ASN 19 N 2.46 -2.89 0.00 1.20 5.15 -1.26 -2.75 115.26 117.17 1bw3 n ASN 19 Ca 0.58 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 1bw3 n ASN 19 Cb 0.28 -5.14 0.00 0.00 -0.53 0.00 0.00 39.78 34.39 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 -3.97 0.00 0.00 1.20 7.02 -1.12 -4.73 117.44 115.84 1bw3 n TRP 20 Ca -0.25 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.23 1bw3 n TRP 20 Cb 0.66 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.55 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 0.00 -0.50 -0.99 2.03 -1.00 -4.29 116.55 111.80 1bw3 n ASP 21 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1bw3 n ASP 21 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1bw3 n ASP 21 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1bw3 n LEU 22 N 0.00 0.00 -3.59 -2.67 4.77 -1.26 -0.11 117.00 114.15 1bw3 n LEU 22 Ca 0.00 -0.06 -0.27 0.00 -0.03 0.00 0.00 56.01 55.65 1bw3 n LEU 22 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1bw3 n LEU 22 CO 0.00 -0.07 0.04 0.61 -1.33 0.00 0.00 177.39 176.65 1bw3 n GLY 23 N 0.35 -0.50 3.43 -0.72 0.00 -1.26 -4.63 105.19 101.86 1bw3 n GLY 23 Ca 0.00 0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.16 3.26 0.00 4.61 0.00 0.85 -4.86 121.76 122.47 1bw3 s ALA 24 Ca 0.52 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1bw3 s ALA 24 Cb -0.26 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.02 1bw3 s ALA 24 CO 0.64 -2.73 0.00 -2.30 0.00 0.00 0.00 175.76 171.37 1bw3 n PRO 25 N 7.05 0.00 -1.60 0.00 -0.02 -1.26 -4.70 135.00 134.46 1bw3 n PRO 25 Ca 0.03 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.21 1bw3 n PRO 25 Cb 0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.89 1bw3 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw3 n ALA 26 N -3.00 6.55 -0.24 3.55 0.00 -1.26 -4.70 120.51 121.41 1bw3 n ALA 26 Ca 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 53.44 50.16 1bw3 n ALA 26 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.13 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 1.16 0.00 -2.97 0.00 0.31 -1.26 -5.08 118.33 110.49 1bw3 n VAL 27 Ca 0.52 0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 64.98 1bw3 n VAL 27 Cb 0.48 -1.19 0.01 0.00 -0.91 0.00 0.00 33.84 32.23 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 -2.22 -7.42 -4.28 4.52 3.41 -1.26 -4.94 113.62 101.43 1bw3 n SER 28 Ca 0.00 0.63 -0.34 0.00 -0.26 0.00 0.00 58.87 58.90 1bw3 n SER 28 Cb 0.00 -4.37 0.10 0.00 -0.26 0.00 0.00 64.21 59.68 1bw3 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw3 n ALA 29 N 0.12 -3.62 -0.04 7.33 0.00 -1.26 -4.63 120.51 118.41 1bw3 n ALA 29 Ca 0.04 -0.74 -0.01 0.00 0.00 0.00 0.00 53.44 52.74 1bw3 n ALA 29 Cb 0.39 -1.57 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 1bw3 n ALA 29 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bw3 n TYR 30 N -3.42 -0.04 0.97 0.00 4.01 -1.24 0.20 117.16 117.65 1bw3 n TYR 30 Ca 0.04 0.11 0.12 0.00 -0.16 0.00 0.00 57.90 58.00 1bw3 n TYR 30 Cb 0.56 -0.38 0.24 0.00 -0.31 0.00 0.00 39.34 39.45 1bw3 n TYR 30 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bw3 h ALA 32 N 4.53 -0.07 -1.07 0.00 0.00 -0.50 0.50 119.26 122.64 1bw3 h ALA 32 Ca 0.00 0.22 0.31 0.00 0.00 0.00 0.00 54.91 55.44 1bw3 h ALA 32 Cb 0.85 1.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.71 1bw3 h ALA 32 CO 0.00 -0.73 1.00 1.15 0.00 0.00 0.00 179.25 180.66 1bw3 h THR 33 N -0.01 0.17 0.00 0.00 2.02 -1.80 0.11 112.91 113.40 1bw3 h THR 33 Ca 0.28 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.42 1bw3 h THR 33 Cb 0.54 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1bw3 h THR 33 CO -0.96 0.00 -1.27 0.79 0.37 0.00 0.00 175.52 174.45 1bw3 n TRP 34 N -3.65 0.00 -0.10 3.16 8.01 0.11 -4.76 117.44 120.21 1bw3 n TRP 34 Ca 0.23 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 56.22 1bw3 n TRP 34 Cb 1.34 -0.17 -0.12 0.00 -2.01 0.00 0.00 31.31 30.34 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 -1.95 2.01 0.21 -0.99 9.92 0.13 -4.34 116.55 121.53 1bw3 n ASP 35 Ca -0.05 0.03 0.14 0.00 -0.53 0.00 0.00 54.79 54.39 1bw3 n ASP 35 Cb 0.42 -0.60 0.74 0.00 -0.64 0.00 0.00 41.12 41.04 1bw3 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw3 h ALA 36 N -0.14 1.00 -0.00 2.24 0.00 -0.94 0.83 119.26 122.25 1bw3 h ALA 36 Ca -0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1bw3 h ALA 36 Cb 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1bw3 h ALA 36 CO -0.10 0.00 -0.44 -1.13 0.00 0.00 0.00 179.25 177.58 1bw3 n SER 37 N -2.50 0.62 -4.74 0.00 3.41 -1.25 -4.84 113.62 104.31 1bw3 n SER 37 Ca -0.01 -0.40 -0.38 0.00 -0.26 0.00 0.00 58.87 57.81 1bw3 n SER 37 Cb 0.08 0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.88 4.32 -0.03 4.33 -0.14 0.28 -5.00 119.74 120.63 1bw3 s LYS 38 Ca 0.14 0.62 -0.38 0.00 -1.36 0.00 0.00 55.97 54.99 1bw3 s LYS 38 Cb 0.18 -3.39 -0.17 0.00 -1.68 0.00 0.00 37.83 32.77 1bw3 s LYS 38 CO 0.66 0.25 1.42 -0.35 -0.76 0.00 0.00 175.35 176.56 1bw3 n PRO 39 N 3.25 1.00 -0.18 -1.68 -0.04 -1.26 -4.76 135.00 131.33 1bw3 n PRO 39 Ca -0.06 0.36 0.08 0.00 -0.04 0.00 0.00 63.50 63.84 1bw3 n PRO 39 Cb 0.51 -2.00 0.16 0.00 -0.04 0.00 0.00 33.50 32.14 1bw3 n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bw3 n LEU 40 N 3.16 -0.05 -0.09 1.53 7.99 -1.26 -1.92 117.00 126.36 1bw3 n LEU 40 Ca 0.21 0.89 0.05 0.00 -0.01 0.00 0.00 56.01 57.15 1bw3 n LEU 40 Cb 0.16 -0.33 0.10 0.00 -0.11 0.00 0.00 43.42 43.23 1bw3 n LEU 40 CO 0.68 -0.91 0.23 -1.54 -1.51 0.00 0.00 177.39 174.33 1bw3 n SER 41 N -4.61 -0.00 -0.07 -1.43 3.41 -1.26 -0.66 113.62 109.00 1bw3 n SER 41 Ca 0.13 0.44 -0.09 0.00 -0.26 0.00 0.00 58.87 59.09 1bw3 n SER 41 Cb 0.42 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.00 -1.03 7.33 7.01 -1.72 -2.73 115.95 124.82 1bw3 h TRP 42 Ca 0.17 0.00 0.29 0.00 2.11 0.00 0.00 58.89 61.46 1bw3 h TRP 42 Cb 0.39 0.00 -0.13 0.00 -2.10 0.00 0.00 29.16 27.32 1bw3 h TRP 42 CO -0.10 0.56 0.61 0.00 -2.79 0.00 0.00 178.44 176.72 1bw3 h ARG 43 N -1.00 0.42 0.00 2.65 -0.00 -1.08 0.66 114.38 116.04 1bw3 h ARG 43 Ca -0.08 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.37 1bw3 h ARG 43 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.54 1bw3 h ARG 43 CO -0.05 0.28 -0.00 0.66 0.00 0.00 0.00 179.97 180.86 1bw3 h SER 44 N 0.44 -0.00 -0.69 7.04 4.64 -1.06 -3.35 113.55 120.56 1bw3 h SER 44 Ca 0.68 -0.90 0.14 0.00 -0.47 0.00 0.00 61.79 61.25 1bw3 h SER 44 Cb 1.50 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.46 1bw3 h SER 44 CO -0.50 0.93 -0.16 0.50 -0.87 0.00 0.00 176.83 176.73 1bw3 h LYS 45 N -0.97 0.01 0.00 4.77 3.64 -0.92 -3.43 116.57 119.67 1bw3 h LYS 45 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1bw3 h LYS 45 Cb 0.90 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1bw3 h LYS 45 CO 0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1bw3 n TYR 46 N -5.46 -1.64 -4.29 1.91 4.02 0.11 -5.09 117.16 106.73 1bw3 n TYR 46 Ca 0.09 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.73 1bw3 n TYR 46 Cb 0.36 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.60 1bw3 n TYR 46 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1bw3 s GLY 47 N -1.48 2.30 -0.47 2.72 0.00 -1.25 -4.78 107.32 104.36 1bw3 s GLY 47 Ca 0.00 -2.11 0.06 0.00 0.00 0.00 0.00 44.72 42.67 1bw3 s GLY 47 CO 0.00 -1.95 0.73 0.66 0.00 0.00 0.00 173.10 172.54 1bw3 s TRP 48 N -2.60 -1.55 0.00 1.90 1.48 -1.26 0.57 118.94 117.48 1bw3 s TRP 48 Ca 0.38 -0.24 0.00 0.00 -1.06 0.00 0.00 56.10 55.18 1bw3 s TRP 48 Cb 0.04 0.30 0.00 0.00 -1.16 0.00 0.00 33.47 32.65 1bw3 s TRP 48 CO 0.21 -1.16 0.00 0.25 -4.06 0.00 0.00 176.95 172.19 1bw3 n THR 49 N 3.46 0.00 -3.91 0.66 -2.24 0.26 -4.68 114.28 107.83 1bw3 n THR 49 Ca 0.15 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.66 1bw3 n THR 49 Cb 0.57 -1.79 -0.01 0.00 -2.10 0.00 0.00 70.33 67.01 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 -3.57 4.44 -0.14 6.98 0.00 -1.26 -1.46 121.76 126.74 1bw3 s ALA 50 Ca 0.00 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 1bw3 s ALA 50 Cb 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1bw3 s ALA 50 CO 0.00 -0.44 0.10 -0.59 0.00 0.00 0.00 175.76 174.83 1bw3 s PHE 51 N -2.78 3.43 0.20 0.00 -0.12 -0.59 -4.84 117.98 113.28 1bw3 s PHE 51 Ca 0.33 0.35 -0.22 0.00 -0.05 0.00 0.00 56.93 57.34 1bw3 s PHE 51 Cb -0.02 -1.98 0.05 0.00 -0.63 0.00 0.00 43.02 40.44 1bw3 s PHE 51 CO 0.21 0.50 0.64 0.00 -0.05 0.00 0.00 175.22 176.52 1bw3 n GLY 53 N -0.41 -0.19 0.06 0.00 0.00 -1.26 -4.65 105.19 98.75 1bw3 n GLY 53 Ca -0.12 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1bw3 n GLY 53 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bw3 n PRO 54 N 0.24 0.87 -1.17 1.61 -0.04 -1.26 -4.22 135.00 131.02 1bw3 n PRO 54 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 1bw3 n PRO 54 Cb 0.00 -1.05 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1bw3 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 n ALA 55 N -0.43 6.99 -2.80 0.55 0.00 -1.26 -4.60 120.51 118.96 1bw3 n ALA 55 Ca 0.00 -2.73 -0.11 0.00 0.00 0.00 0.00 53.44 50.61 1bw3 n ALA 55 Cb 0.03 -2.86 0.05 0.00 0.00 0.00 0.00 19.45 16.67 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 3.02 -0.43 3.45 0.00 0.00 -1.26 0.98 105.19 110.96 1bw3 n GLY 56 Ca 0.61 0.22 -0.46 0.00 0.00 0.00 0.00 46.02 46.39 1bw3 n GLY 56 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bw3 n PRO 57 N -2.84 0.50 -3.49 1.61 -0.04 -1.26 -4.62 135.00 124.87 1bw3 n PRO 57 Ca -0.09 0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 63.03 1bw3 n PRO 57 Cb 0.59 -2.15 -0.10 0.00 -0.04 0.00 0.00 33.50 31.80 1bw3 n PRO 57 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1bw3 s ARG 58 N 7.60 3.02 0.00 0.54 3.52 -1.26 -4.93 118.95 127.44 1bw3 s ARG 58 Ca 1.19 -0.98 0.00 0.00 -0.13 0.00 0.00 55.73 55.80 1bw3 s ARG 58 Cb -0.97 -3.93 0.00 0.00 -1.56 0.00 0.00 34.95 28.49 1bw3 s ARG 58 CO 0.47 -0.71 0.00 0.41 -0.81 0.00 0.00 175.30 174.67 1bw3 n GLY 59 N 5.13 0.06 0.00 8.12 0.00 -1.26 -4.58 105.19 112.66 1bw3 n GLY 59 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.20 0.00 -1.24 1.61 6.02 -1.26 -0.15 117.38 121.15 1bw3 n GLN 60 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 1bw3 n GLN 60 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 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 -0.00 5.94 0.20 -1.58 0.00 -1.26 -4.39 120.51 119.42 1bw3 n ALA 61 Ca 0.00 -2.49 0.06 0.00 0.00 0.00 0.00 53.44 51.01 1bw3 n ALA 61 Cb 0.00 -1.85 0.11 0.00 0.00 0.00 0.00 19.45 17.71 1bw3 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n ALA 62 N 0.67 2.36 0.06 0.00 0.00 0.78 -4.64 120.51 119.74 1bw3 n ALA 62 Ca 0.42 -0.85 -0.03 0.00 0.00 0.00 0.00 53.44 52.98 1bw3 n ALA 62 Cb 0.57 -0.46 0.01 0.00 0.00 0.00 0.00 19.45 19.57 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 0.86 0.75 3.11 0.00 0.00 -1.26 -5.05 105.19 103.59 1bw3 n GLY 64 Ca 0.05 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 0.65 0.33 1.61 -0.14 -1.14 -5.02 119.74 116.03 1bw3 s LYS 65 Ca 0.16 -0.98 0.08 0.00 -1.36 0.00 0.00 55.97 53.87 1bw3 s LYS 65 Cb 0.19 -0.28 -0.06 0.00 -1.68 0.00 0.00 37.83 35.99 1bw3 s LYS 65 CO -0.08 0.03 -0.07 0.00 -0.76 0.00 0.00 175.35 174.47 1bw3 s LEU 67 N -3.55 1.75 -0.18 0.00 1.43 0.12 0.15 118.68 118.40 1bw3 s LEU 67 Ca 0.32 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.89 1bw3 s LEU 67 Cb 0.04 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1bw3 s LEU 67 CO 0.15 0.06 0.40 -0.60 0.23 0.00 0.00 176.35 176.59 1bw3 s ARG 68 N 0.62 4.22 -0.14 1.70 3.52 0.47 -0.49 118.95 128.85 1bw3 s ARG 68 Ca -0.15 0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.69 1bw3 s ARG 68 Cb -0.16 -3.50 -0.00 0.00 -1.56 0.00 0.00 34.95 29.72 1bw3 s ARG 68 CO 0.04 0.04 -0.17 0.08 -0.81 0.00 0.00 175.30 174.49 1bw3 s VAL 69 N 1.06 2.57 0.10 7.11 1.01 0.31 -1.04 120.40 131.52 1bw3 s VAL 69 Ca 0.20 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1bw3 s VAL 69 Cb -0.14 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1bw3 s VAL 69 CO 0.08 0.53 -0.19 -0.89 0.00 0.00 0.00 175.10 174.62 1bw3 s THR 70 N 0.69 1.57 -0.13 3.92 2.01 -0.26 -0.33 115.64 123.11 1bw3 s THR 70 Ca -0.08 -1.52 -0.02 0.00 0.31 0.00 0.00 61.69 60.39 1bw3 s THR 70 Cb -0.16 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 1bw3 s THR 70 CO 0.02 -0.12 -0.08 0.21 -0.69 0.00 0.00 174.62 173.95 1bw3 s ASN 71 N -1.93 4.45 0.30 3.53 3.84 0.65 -0.78 114.94 125.00 1bw3 s ASN 71 Ca 0.05 -0.20 0.11 0.00 0.21 0.00 0.00 52.86 53.03 1bw3 s ASN 71 Cb -0.10 -1.62 0.46 0.00 -0.55 0.00 0.00 41.25 39.44 1bw3 s ASN 71 CO 0.04 0.19 1.67 -0.65 -2.79 0.00 0.00 177.10 175.57 1bw3 h PRO 72 N 6.50 0.00 0.07 0.43 0.11 -1.87 -2.13 132.00 135.11 1bw3 h PRO 72 Ca -0.31 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 1bw3 h PRO 72 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1bw3 h PRO 72 CO 0.59 0.55 -0.03 0.00 -0.21 0.00 0.00 178.00 178.89 1bw3 h ALA 73 N 1.45 -0.09 0.00 -0.75 0.00 -1.95 -3.35 119.26 114.57 1bw3 h ALA 73 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1bw3 h ALA 73 Cb 0.97 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1bw3 h ALA 73 CO 0.07 -0.27 -1.30 0.25 0.00 0.00 0.00 179.25 178.00 1bw3 n THR 74 N -4.88 0.14 -0.98 0.00 -2.24 -1.26 -4.93 114.28 100.13 1bw3 n THR 74 Ca -0.09 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1bw3 n THR 74 Cb 0.27 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 1.34 0.93 3.86 3.38 0.00 -0.80 -5.00 105.19 108.90 1bw3 n GLY 75 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.76 2.94 -0.05 4.61 0.00 -1.25 -4.75 121.76 119.51 1bw3 s ALA 76 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.64 1bw3 s ALA 76 Cb 0.00 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 20.07 1bw3 s ALA 76 CO 0.00 -0.93 0.44 1.14 0.00 0.00 0.00 175.76 176.41 1bw3 s GLN 77 N -5.20 0.76 0.10 0.00 -2.07 -1.26 -0.25 119.66 111.74 1bw3 s GLN 77 Ca 0.56 0.06 0.01 0.00 -1.82 0.00 0.00 55.36 54.17 1bw3 s GLN 77 Cb -0.12 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1bw3 s GLN 77 CO 0.54 -0.21 -0.05 -1.50 -1.32 0.00 0.00 175.29 172.75 1bw3 s ILE 78 N -1.06 0.63 -0.17 3.63 1.10 0.55 -4.99 121.20 120.88 1bw3 s ILE 78 Ca -0.11 -1.93 0.01 0.00 -0.51 0.00 0.00 60.65 58.11 1bw3 s ILE 78 Cb -0.03 -1.73 0.01 0.00 0.15 0.00 0.00 42.46 40.85 1bw3 s ILE 78 CO 0.05 -0.82 -0.19 -0.89 -2.11 0.00 0.00 174.94 170.98 1bw3 s THR 79 N -3.67 2.23 0.32 4.00 2.01 -1.26 -0.53 115.64 118.73 1bw3 s THR 79 Ca 0.13 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.33 1bw3 s THR 79 Cb 0.06 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 1bw3 s THR 79 CO -0.04 0.53 0.05 0.00 -0.69 0.00 0.00 174.62 174.47 1bw3 s ALA 80 N 1.16 3.29 0.06 7.40 0.00 0.36 -3.79 121.76 130.22 1bw3 s ALA 80 Ca 0.01 -1.83 -0.07 0.00 0.00 0.00 0.00 51.96 50.08 1bw3 s ALA 80 Cb -0.14 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 1bw3 s ALA 80 CO -0.08 0.12 0.33 0.50 0.00 0.00 0.00 175.76 176.62 1bw3 s ARG 81 N -3.75 3.64 -0.45 0.00 3.52 0.19 0.14 118.95 122.25 1bw3 s ARG 81 Ca 0.35 -0.02 -0.22 0.00 -0.13 0.00 0.00 55.73 55.71 1bw3 s ARG 81 Cb -0.03 -3.01 0.03 0.00 -1.56 0.00 0.00 34.95 30.38 1bw3 s ARG 81 CO 0.21 0.58 0.72 0.42 -0.81 0.00 0.00 175.30 176.42 1bw3 s ILE 82 N -1.41 4.73 0.00 4.11 1.01 -0.56 0.89 121.20 129.98 1bw3 s ILE 82 Ca 0.32 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.24 1bw3 s ILE 82 Cb -0.13 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1bw3 s ILE 82 CO 0.19 -0.66 0.00 0.55 0.00 0.00 0.00 174.94 175.01 1bw3 n VAL 83 N 6.00 0.00 -4.20 2.92 3.14 -0.53 -4.59 118.33 121.06 1bw3 n VAL 83 Ca 0.00 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.16 1bw3 n VAL 83 Cb 0.48 -0.30 -0.03 0.00 -1.06 0.00 0.00 33.84 32.93 1bw3 n VAL 83 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1bw3 n ASP 84 N -1.72 2.71 -4.48 6.55 2.03 -1.18 -2.95 116.55 117.52 1bw3 n ASP 84 Ca 0.00 -2.57 -0.33 0.00 0.52 0.00 0.00 54.79 52.42 1bw3 n ASP 84 Cb 0.23 0.13 -0.13 0.00 -0.72 0.00 0.00 41.12 40.63 1bw3 n ASP 84 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1bw3 s GLN 85 N -3.54 2.48 0.44 -0.67 0.74 -1.26 -1.55 119.66 116.30 1bw3 s GLN 85 Ca 0.11 -0.71 -0.21 0.00 0.05 0.00 0.00 55.36 54.60 1bw3 s GLN 85 Cb -0.01 -2.37 -0.11 0.00 1.10 0.00 0.00 33.01 31.62 1bw3 s GLN 85 CO 0.07 0.62 0.95 0.00 -0.55 0.00 0.00 175.29 176.38 1bw3 n ALA 87 N -0.74 1.60 0.01 0.00 0.00 -1.26 -4.73 120.51 115.39 1bw3 n ALA 87 Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1bw3 n ALA 87 Cb 0.54 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.17 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 -3.77 1.22 0.00 0.00 6.94 -1.26 -5.11 115.26 113.28 1bw3 n ASN 88 Ca -0.41 -1.21 0.00 0.00 -0.02 0.00 0.00 54.58 52.94 1bw3 n ASN 88 Cb 0.82 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.24 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 -0.09 2.67 0.00 4.83 0.00 -1.26 -5.01 105.19 106.33 1bw3 n GLY 89 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 0.35 2.55 2.23 -0.02 0.00 -1.25 -4.54 105.19 104.50 1bw3 n GLY 90 Ca 0.00 -2.02 -0.20 0.00 0.00 0.00 0.00 46.02 43.80 1bw3 n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bw3 n LEU 91 N 0.00 0.86 -3.75 0.99 4.77 -1.21 -4.72 117.00 113.93 1bw3 n LEU 91 Ca 0.00 -4.95 -0.02 0.00 -0.03 0.00 0.00 56.01 51.00 1bw3 n LEU 91 Cb 0.00 0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 41.69 1bw3 n LEU 91 CO 0.00 2.22 0.79 1.51 -1.33 0.00 0.00 177.39 180.58 1bw3 s ASP 92 N -2.09 -0.13 0.00 -1.43 1.47 -1.26 -4.29 116.67 108.94 1bw3 s ASP 92 Ca 0.39 -0.40 0.00 0.00 1.18 0.00 0.00 52.55 53.72 1bw3 s ASP 92 Cb 0.29 0.43 0.00 0.00 -0.34 0.00 0.00 42.92 43.30 1bw3 s ASP 92 CO -0.09 -0.81 0.00 0.18 0.68 0.00 0.00 175.17 175.13 1bw3 n LEU 93 N -0.51 0.00 0.00 2.11 4.32 -1.26 -4.67 117.00 116.98 1bw3 n LEU 93 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 1bw3 n LEU 93 Cb 0.61 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 1bw3 n LEU 93 CO 0.14 0.00 0.00 -0.67 -1.22 0.00 0.00 177.39 175.64 1bw3 n ASP 94 N -0.40 0.00 -1.21 -1.43 2.03 -1.26 -2.99 116.55 111.28 1bw3 n ASP 94 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 1bw3 n ASP 94 Cb 0.00 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.50 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 -0.92 0.89 -4.11 -0.67 -0.00 -1.26 -4.60 117.44 106.76 1bw3 n TRP 95 Ca 0.00 -0.63 -0.35 0.00 -0.00 0.00 0.00 57.50 56.52 1bw3 n TRP 95 Cb 0.00 -0.37 -0.04 0.00 -0.00 0.00 0.00 31.31 30.90 1bw3 n TRP 95 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1bw3 n ASP 96 N 0.07 -1.24 0.12 5.87 8.00 -1.26 -4.74 116.55 123.36 1bw3 n ASP 96 Ca 0.15 -1.18 0.06 0.00 0.71 0.00 0.00 54.79 54.53 1bw3 n ASP 96 Cb 0.75 -1.44 0.30 0.00 -0.02 0.00 0.00 41.12 40.71 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1bw3 n THR 97 N -4.48 0.94 -0.07 -3.53 -2.24 -1.26 -1.66 114.28 101.99 1bw3 n THR 97 Ca -0.21 0.67 -0.05 0.00 -2.27 0.00 0.00 64.05 62.20 1bw3 n THR 97 Cb 0.58 -1.67 -0.02 0.00 -2.10 0.00 0.00 70.33 67.12 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 0.01 -0.55 2.28 2.07 -1.85 -3.40 116.25 114.80 1bw3 h VAL 98 Ca 0.00 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 1bw3 h VAL 98 Cb 0.38 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1bw3 h VAL 98 CO 0.00 0.00 0.15 0.15 0.02 0.00 0.00 177.57 177.89 1bw3 h PHE 99 N -1.00 0.85 -0.24 1.57 3.57 -1.51 -3.04 116.94 117.14 1bw3 h PHE 99 Ca -0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1bw3 h PHE 99 Cb 0.50 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1bw3 h PHE 99 CO -0.21 0.70 0.00 0.25 -2.23 0.00 0.00 178.31 176.82 1bw3 n THR 100 N -4.29 0.49 -0.08 4.41 -2.24 -0.66 -3.91 114.28 108.00 1bw3 n THR 100 Ca 0.04 -0.37 -0.17 0.00 -2.27 0.00 0.00 64.05 61.27 1bw3 n THR 100 Cb 0.21 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 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 0.24 0.35 0.00 -0.78 4.76 -1.16 -4.56 118.16 117.01 1bw3 n LYS 101 Ca 0.09 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1bw3 n LYS 101 Cb 0.30 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 1bw3 n LYS 101 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1bw3 n ILE 102 N -3.69 1.70 -4.24 -0.18 -5.35 -1.18 -4.60 119.36 101.82 1bw3 n ILE 102 Ca -0.32 0.45 -0.31 0.00 -0.27 0.00 0.00 62.75 62.30 1bw3 n ILE 102 Cb 0.73 -1.45 -0.09 0.00 -1.74 0.00 0.00 39.64 37.10 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 -2.85 5.00 -0.08 7.28 1.11 -1.26 -4.62 116.67 121.25 1bw3 s ASP 103 Ca 0.00 -0.11 0.02 0.00 0.18 0.00 0.00 52.55 52.65 1bw3 s ASP 103 Cb 0.00 -1.23 0.18 0.00 1.07 0.00 0.00 42.92 42.94 1bw3 s ASP 103 CO 0.00 0.23 0.98 0.35 1.18 0.00 0.00 175.17 177.91 1bw3 n THR 104 N 1.05 1.04 0.22 -1.27 -2.24 -1.26 -4.21 114.28 107.60 1bw3 n THR 104 Ca -0.13 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1bw3 n THR 104 Cb 0.52 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 0.13 -3.91 0.00 3.42 6.94 -1.26 -5.07 115.26 115.51 1bw3 n ASN 105 Ca 0.10 0.84 0.00 0.00 -0.02 0.00 0.00 54.58 55.50 1bw3 n ASN 105 Cb 0.61 3.67 0.00 0.00 -2.36 0.00 0.00 39.78 41.70 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 -1.47 2.72 0.02 4.83 0.00 -1.26 -4.96 105.19 105.06 1bw3 n GLY 106 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1bw3 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw3 n ILE 107 N -2.00 -0.03 -0.41 -0.61 2.08 -1.26 -1.31 119.36 115.83 1bw3 n ILE 107 Ca 0.00 0.13 0.34 0.00 0.56 0.00 0.00 62.75 63.78 1bw3 n ILE 107 Cb 0.00 -0.20 0.55 0.00 -0.75 0.00 0.00 39.64 39.24 1bw3 n ILE 107 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1bw3 n GLY 108 N -1.03 -0.68 0.14 7.39 0.00 -1.26 -2.94 105.19 106.82 1bw3 n GLY 108 Ca 0.02 0.58 0.10 0.00 0.00 0.00 0.00 46.02 46.71 1bw3 n GLY 108 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bw3 n TYR 109 N -4.08 0.37 -3.11 1.61 9.36 -0.43 -1.64 117.16 119.24 1bw3 n TYR 109 Ca 0.32 0.51 -0.44 0.00 3.32 0.00 0.00 57.90 61.61 1bw3 n TYR 109 Cb 1.30 -0.88 0.01 0.00 -0.63 0.00 0.00 39.34 39.14 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 -4.22 4.13 -1.88 2.98 -0.06 -1.15 -4.67 117.38 112.51 1bw3 n GLN 110 Ca 0.13 -4.50 -0.02 0.00 -2.00 0.00 0.00 57.00 50.61 1bw3 n GLN 110 Cb 0.43 -2.54 0.01 0.00 -4.06 0.00 0.00 30.24 24.08 1bw3 n GLN 110 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1bw3 n GLN 111 N 1.87 -0.41 -2.81 3.69 6.02 -1.19 -5.05 117.38 119.50 1bw3 n GLN 111 Ca 0.26 0.48 -0.01 0.00 -0.01 0.00 0.00 57.00 57.72 1bw3 n GLN 111 Cb 0.35 -2.50 0.05 0.00 1.02 0.00 0.00 30.24 29.17 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 -1.30 1.78 2.64 1.08 0.00 -0.65 -5.02 105.19 103.71 1bw3 n GLY 112 Ca -0.01 -1.01 -0.48 0.00 0.00 0.00 0.00 46.02 44.52 1bw3 n GLY 112 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bw3 n HIS 113 N -0.63 1.15 -3.59 1.61 1.44 -1.26 -4.75 115.22 109.19 1bw3 n HIS 113 Ca 0.05 0.75 -0.20 0.00 -2.01 0.00 0.00 57.72 56.32 1bw3 n HIS 113 Cb 0.81 -1.66 -0.02 0.00 0.12 0.00 0.00 29.99 29.25 1bw3 n HIS 113 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1bw3 s LEU 114 N 2.93 3.85 -0.23 2.39 2.96 -1.18 -4.89 118.68 124.51 1bw3 s LEU 114 Ca 0.81 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 54.33 1bw3 s LEU 114 Cb -1.10 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1bw3 s LEU 114 CO 0.56 -0.40 0.13 0.21 -1.32 0.00 0.00 176.35 175.53 1bw3 s ASN 115 N -4.11 5.86 0.16 3.68 3.84 -1.26 -2.11 114.94 121.00 1bw3 s ASN 115 Ca 0.44 0.04 -0.02 0.00 0.21 0.00 0.00 52.86 53.53 1bw3 s ASN 115 Cb -0.08 -2.05 -0.04 0.00 -0.55 0.00 0.00 41.25 38.53 1bw3 s ASN 115 CO 0.30 0.06 0.10 0.68 -2.79 0.00 0.00 177.10 175.45 1bw3 s VAL 116 N 1.08 0.06 0.17 -5.21 -7.23 -1.18 -4.52 120.40 103.58 1bw3 s VAL 116 Ca 0.06 -1.92 0.11 0.00 -1.81 0.00 0.00 61.98 58.43 1bw3 s VAL 116 Cb -0.14 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 1bw3 s VAL 116 CO 0.04 -0.26 -0.24 0.20 -0.31 0.00 0.00 175.10 174.53 1bw3 s ASN 117 N -3.09 3.46 -0.11 4.85 0.01 0.04 -1.11 114.94 118.98 1bw3 s ASN 117 Ca 0.30 -0.81 -0.13 0.00 -0.71 0.00 0.00 52.86 51.51 1bw3 s ASN 117 Cb 0.07 -0.28 0.03 0.00 0.41 0.00 0.00 41.25 41.49 1bw3 s ASN 117 CO 0.06 0.14 0.34 -0.72 -1.51 0.00 0.00 177.10 175.41 1bw3 s TYR 118 N -1.50 -0.35 0.03 2.20 -0.85 -0.05 -1.10 117.35 115.74 1bw3 s TYR 118 Ca 0.19 0.81 0.03 0.00 -0.52 0.00 0.00 57.07 57.58 1bw3 s TYR 118 Cb -0.09 0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.36 1bw3 s TYR 118 CO 0.09 -0.22 -0.08 -0.65 -1.52 0.00 0.00 175.55 173.16 1bw3 s GLN 119 N -0.09 0.58 0.52 -3.49 -1.52 -0.21 -1.55 119.66 113.90 1bw3 s GLN 119 Ca -0.02 -0.61 -0.21 0.00 -1.95 0.00 0.00 55.36 52.56 1bw3 s GLN 119 Cb -0.03 -0.45 -0.06 0.00 -0.22 0.00 0.00 33.01 32.25 1bw3 s GLN 119 CO 0.01 0.10 1.21 -0.06 -0.25 0.00 0.00 175.29 176.31 1bw3 s PHE 120 N -0.95 2.62 0.25 0.91 0.40 -1.25 -0.40 117.98 119.55 1bw3 s PHE 120 Ca -0.05 1.50 -0.19 0.00 -0.60 0.00 0.00 56.93 57.59 1bw3 s PHE 120 Cb -0.08 -3.49 0.02 0.00 0.51 0.00 0.00 43.02 39.99 1bw3 s PHE 120 CO 0.00 -1.98 0.62 0.54 0.70 0.00 0.00 175.22 175.11 1bw3 s VAL 121 N -1.53 0.01 0.25 -0.44 0.11 0.12 -4.68 120.40 114.24 1bw3 s VAL 121 Ca 0.69 -0.96 -0.10 0.00 -2.93 0.00 0.00 61.98 58.69 1bw3 s VAL 121 Cb -0.31 -1.88 -0.07 0.00 -1.53 0.00 0.00 36.38 32.59 1bw3 s VAL 121 CO 0.36 -0.02 0.58 -0.62 -3.33 0.00 0.00 175.10 172.07 1bw3 s ASP 122 N -2.92 6.64 0.08 3.54 -1.08 -1.26 -1.22 116.67 120.45 1bw3 s ASP 122 Ca 0.12 0.97 0.17 0.00 -0.52 0.00 0.00 52.55 53.29 1bw3 s ASP 122 Cb -0.04 -2.25 -0.12 0.00 -1.46 0.00 0.00 42.92 39.06 1bw3 s ASP 122 CO 0.04 -0.10 0.87 0.00 0.52 0.00 0.00 175.17 176.50 1bw3 n ARG 124 N -2.91 -1.46 0.00 0.00 1.74 -1.26 -5.11 116.66 107.66 1bw3 n ARG 124 Ca -0.09 1.09 0.14 0.00 -0.77 0.00 0.00 57.85 58.23 1bw3 n ARG 124 Cb 0.83 -4.75 0.54 0.00 -1.02 0.00 0.00 32.46 28.06 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64