#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw4 s GLN 2 N 0.00 0.37 -0.18 5.31 -0.21 -1.26 -0.89 119.66 122.80 1bw4 s GLN 2 Ca 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 54.93 1bw4 s GLN 2 Cb 0.00 -1.77 0.04 0.00 1.00 0.00 0.00 33.01 32.28 1bw4 s GLN 2 CO 0.00 -0.80 -0.07 0.00 -2.12 0.00 0.00 175.29 172.30 1bw4 s ALA 3 N 1.96 1.68 0.42 6.09 0.00 0.04 -5.01 121.76 126.95 1bw4 s ALA 3 Ca 0.04 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.11 1bw4 s ALA 3 Cb -0.17 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 1bw4 s ALA 3 CO -0.18 -0.78 0.31 0.54 0.00 0.00 0.00 175.76 175.65 1bw4 s ASN 4 N 1.54 4.83 -1.43 0.00 2.20 -1.26 -0.34 114.94 120.48 1bw4 s ASN 4 Ca 0.00 -0.87 -0.12 0.00 -0.94 0.00 0.00 52.86 50.93 1bw4 s ASN 4 Cb -0.16 -0.52 0.02 0.00 -2.00 0.00 0.00 41.25 38.59 1bw4 s ASN 4 CO -0.08 -0.63 0.24 -0.67 -2.94 0.00 0.00 177.10 173.02 1bw4 n ASP 5 N -1.45 -0.79 -4.58 3.54 2.03 -1.21 -4.93 116.55 109.15 1bw4 n ASP 5 Ca 0.02 -1.29 -0.34 0.00 0.52 0.00 0.00 54.79 53.70 1bw4 n ASP 5 Cb 0.63 -1.62 -0.11 0.00 -0.72 0.00 0.00 41.12 39.29 1bw4 n ASP 5 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1bw4 s VAL 6 N -4.09 3.73 -0.72 5.18 1.01 -0.83 -4.98 120.40 119.71 1bw4 s VAL 6 Ca 0.17 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 1bw4 s VAL 6 Cb -0.09 -2.53 0.04 0.00 0.00 0.00 0.00 36.38 33.80 1bw4 s VAL 6 CO 0.99 0.60 1.19 -0.13 0.00 0.00 0.00 175.10 177.75 1bw4 s ARG 7 N -0.78 3.18 -0.16 2.72 0.52 -1.26 -2.31 118.95 120.86 1bw4 s ARG 7 Ca 0.12 -0.45 -0.19 0.00 -0.52 0.00 0.00 55.73 54.69 1bw4 s ARG 7 Cb -0.11 -4.23 -0.03 0.00 0.52 0.00 0.00 34.95 31.10 1bw4 s ARG 7 CO 0.01 -2.05 0.54 0.00 0.02 0.00 0.00 175.30 173.82 1bw4 s ALA 8 N 5.20 3.50 -0.40 2.13 0.00 0.54 -4.91 121.76 127.82 1bw4 s ALA 8 Ca 0.31 -0.26 -0.24 0.00 0.00 0.00 0.00 51.96 51.78 1bw4 s ALA 8 Cb -0.10 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.24 1bw4 s ALA 8 CO 0.13 -0.27 0.82 0.95 0.00 0.00 0.00 175.76 177.39 1bw4 s THR 9 N 1.25 4.65 -1.39 0.00 -4.23 -1.26 -0.79 115.64 113.88 1bw4 s THR 9 Ca 0.27 0.77 -0.16 0.00 -1.18 0.00 0.00 61.69 61.39 1bw4 s THR 9 Cb -0.16 -4.29 0.05 0.00 1.34 0.00 0.00 72.50 69.44 1bw4 s THR 9 CO 0.11 -0.59 2.03 0.00 -0.54 0.00 0.00 174.62 175.63 1bw4 n TYR 10 N 6.66 3.95 -3.94 3.99 4.11 -1.24 -4.59 117.16 126.09 1bw4 n TYR 10 Ca 0.04 -2.89 -0.35 0.00 -0.00 0.00 0.00 57.90 54.69 1bw4 n TYR 10 Cb 0.48 -2.58 -0.13 0.00 -0.00 0.00 0.00 39.34 37.11 1bw4 n TYR 10 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bw4 s HIS 11 N 3.70 3.03 0.21 -3.48 2.46 -1.15 -5.01 115.29 115.05 1bw4 s HIS 11 Ca 0.50 -0.57 -0.10 0.00 0.47 0.00 0.00 55.06 55.36 1bw4 s HIS 11 Cb 0.10 -2.13 -0.01 0.00 -0.13 0.00 0.00 32.58 30.41 1bw4 s HIS 11 CO -0.02 -0.35 0.36 1.52 -2.47 0.00 0.00 174.74 173.78 1bw4 s TYR 12 N 1.30 0.45 0.52 3.88 -0.85 -1.25 -1.77 117.35 119.62 1bw4 s TYR 12 Ca 0.04 -0.79 0.02 0.00 -0.52 0.00 0.00 57.07 55.82 1bw4 s TYR 12 Cb -0.15 0.01 0.03 0.00 0.38 0.00 0.00 41.96 42.23 1bw4 s TYR 12 CO 0.01 -0.84 0.74 0.71 -1.52 0.00 0.00 175.55 174.65 1bw4 s TYR 13 N -4.01 2.91 -1.04 -3.49 1.51 0.54 -4.89 117.35 108.89 1bw4 s TYR 13 Ca 0.22 -0.01 -0.05 0.00 -1.01 0.00 0.00 57.07 56.22 1bw4 s TYR 13 Cb 0.02 -2.65 0.28 0.00 -0.11 0.00 0.00 41.96 39.49 1bw4 s TYR 13 CO 0.05 -0.75 1.16 0.54 -1.11 0.00 0.00 175.55 175.43 1bw4 n ARG 14 N -2.26 3.63 0.00 -0.62 5.12 -1.26 -2.39 116.66 118.88 1bw4 n ARG 14 Ca 0.07 -4.51 0.00 0.00 -1.93 0.00 0.00 57.85 51.48 1bw4 n ARG 14 Cb 0.59 -2.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.40 1bw4 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1bw4 n PRO 15 N 2.03 0.00 0.00 5.56 -0.04 -1.26 -2.55 135.00 138.74 1bw4 n PRO 15 Ca 0.25 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1bw4 n PRO 15 Cb 0.37 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1bw4 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 n ALA 16 N -1.48 0.94 -0.29 0.55 0.00 -1.26 -2.93 120.51 116.03 1bw4 n ALA 16 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1bw4 n ALA 16 Cb 0.00 -0.63 0.07 0.00 0.00 0.00 0.00 19.45 18.89 1bw4 n ALA 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1bw4 h GLN 17 N 0.00 1.06 -1.92 0.00 3.07 -1.92 -3.23 115.11 112.18 1bw4 h GLN 17 Ca 0.00 -0.09 -0.55 0.00 0.09 0.00 0.00 58.65 58.10 1bw4 h GLN 17 Cb 0.00 -0.22 -0.41 0.00 0.08 0.00 0.00 27.48 26.92 1bw4 h GLN 17 CO 0.00 0.75 -0.81 -1.71 0.09 0.00 0.00 178.83 177.14 1bw4 n ASN 18 N -4.48 3.63 -3.61 0.06 5.15 -1.15 -5.00 115.26 109.86 1bw4 n ASN 18 Ca 0.08 -3.49 -0.20 0.00 -0.60 0.00 0.00 54.58 50.37 1bw4 n ASN 18 Cb 0.05 -0.54 0.01 0.00 -0.53 0.00 0.00 39.78 38.77 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bw4 n ASN 19 N -0.20 -2.25 -4.45 1.20 4.05 -1.22 0.23 115.26 112.62 1bw4 n ASN 19 Ca 0.30 -0.61 -0.39 0.00 0.45 0.00 0.00 54.58 54.33 1bw4 n ASN 19 Cb 0.55 -0.81 -0.08 0.00 1.23 0.00 0.00 39.78 40.66 1bw4 n ASN 19 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 1bw4 n TRP 20 N -2.47 -1.23 -1.38 1.20 7.02 -1.26 -4.74 117.44 114.59 1bw4 n TRP 20 Ca -0.10 0.67 -0.24 0.00 -1.02 0.00 0.00 57.50 56.81 1bw4 n TRP 20 Cb 0.32 -2.23 -0.09 0.00 -2.42 0.00 0.00 31.31 26.89 1bw4 n TRP 20 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1bw4 n ASP 21 N -2.61 6.25 -0.06 -0.99 2.03 0.14 -4.55 116.55 116.75 1bw4 n ASP 21 Ca -0.02 -2.99 0.24 0.00 0.52 0.00 0.00 54.79 52.54 1bw4 n ASP 21 Cb 0.53 -1.30 0.59 0.00 -0.72 0.00 0.00 41.12 40.22 1bw4 n ASP 21 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1bw4 h LEU 22 N 4.36 0.00 -1.95 -2.67 3.38 -1.85 0.28 115.31 116.86 1bw4 h LEU 22 Ca 0.36 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.50 1bw4 h LEU 22 Cb 0.91 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1bw4 h LEU 22 CO 0.74 0.00 0.44 1.23 0.09 0.00 0.00 178.44 180.94 1bw4 h GLY 23 N 0.00 0.08 -7.01 0.83 0.00 -1.87 -2.92 103.07 92.19 1bw4 h GLY 23 Ca 0.34 -0.02 -0.65 0.00 0.00 0.00 0.00 47.33 47.00 1bw4 h GLY 23 CO -0.00 0.01 1.44 0.00 0.00 0.00 0.00 176.54 177.98 1bw4 n ALA 24 N -2.64 1.12 -0.26 3.60 0.00 0.99 -4.73 120.51 118.59 1bw4 n ALA 24 Ca 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 1bw4 n ALA 24 Cb 0.66 -2.59 0.01 0.00 0.00 0.00 0.00 19.45 17.53 1bw4 n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bw4 n PRO 25 N 8.28 -0.18 -0.22 0.00 -0.02 -1.26 -0.85 135.00 140.76 1bw4 n PRO 25 Ca 0.41 1.01 0.19 0.00 -2.02 0.00 0.00 63.50 63.09 1bw4 n PRO 25 Cb 0.25 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.55 1bw4 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 n ALA 26 N -3.63 0.63 0.01 3.55 0.00 -1.26 -2.76 120.51 117.04 1bw4 n ALA 26 Ca 0.06 0.43 -0.03 0.00 0.00 0.00 0.00 53.44 53.90 1bw4 n ALA 26 Cb 0.25 -0.51 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 1bw4 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bw4 n VAL 27 N -3.70 1.26 -2.33 0.00 0.31 -0.03 -5.09 118.33 108.76 1bw4 n VAL 27 Ca 0.19 0.31 -0.15 0.00 -0.01 0.00 0.00 64.34 64.68 1bw4 n VAL 27 Cb 0.73 -1.80 0.02 0.00 -0.91 0.00 0.00 33.84 31.88 1bw4 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw4 n SER 28 N -3.75 -3.43 -4.91 4.52 3.41 -0.99 -4.94 113.62 103.54 1bw4 n SER 28 Ca -0.05 0.02 -0.27 0.00 -0.26 0.00 0.00 58.87 58.31 1bw4 n SER 28 Cb 0.17 -0.93 -0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1bw4 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw4 s ALA 29 N -0.76 3.42 0.02 7.33 0.00 -1.26 -4.95 121.76 125.57 1bw4 s ALA 29 Ca 0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 1bw4 s ALA 29 Cb -0.02 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1bw4 s ALA 29 CO 0.33 -0.29 0.40 0.98 0.00 0.00 0.00 175.76 177.17 1bw4 n TYR 30 N -2.14 -0.06 1.21 0.00 4.19 -1.26 -0.09 117.16 119.01 1bw4 n TYR 30 Ca 0.00 0.16 0.07 0.00 3.31 0.00 0.00 57.90 61.44 1bw4 n TYR 30 Cb 0.55 -0.31 0.23 0.00 0.49 0.00 0.00 39.34 40.31 1bw4 n TYR 30 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw4 h ALA 32 N 3.68 0.14 0.00 0.00 0.00 -0.79 1.20 119.26 123.50 1bw4 h ALA 32 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1bw4 h ALA 32 Cb 0.38 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1bw4 h ALA 32 CO 0.00 -0.59 -0.04 1.15 0.00 0.00 0.00 179.25 179.76 1bw4 h THR 33 N -0.09 0.27 -0.00 0.00 2.02 -1.78 0.23 112.91 113.56 1bw4 h THR 33 Ca 0.29 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1bw4 h THR 33 Cb 0.56 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1bw4 h THR 33 CO -0.76 0.04 -0.15 0.79 0.37 0.00 0.00 175.52 175.82 1bw4 n TRP 34 N -3.38 0.00 -0.01 3.16 8.01 0.32 -4.72 117.44 120.82 1bw4 n TRP 34 Ca -0.02 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.15 1bw4 n TRP 34 Cb 0.18 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.47 1bw4 n TRP 34 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1bw4 n ASP 35 N -0.49 3.74 0.24 -0.99 9.92 0.39 -4.55 116.55 124.81 1bw4 n ASP 35 Ca 0.02 -0.01 0.13 0.00 -0.53 0.00 0.00 54.79 54.40 1bw4 n ASP 35 Cb 0.12 -0.04 0.72 0.00 -0.64 0.00 0.00 41.12 41.27 1bw4 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw4 h ALA 36 N -0.00 1.13 -0.00 2.24 0.00 -0.67 0.23 119.26 122.18 1bw4 h ALA 36 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bw4 h ALA 36 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1bw4 h ALA 36 CO -0.01 -0.13 -0.38 -1.13 0.00 0.00 0.00 179.25 177.60 1bw4 n SER 37 N -2.52 0.69 -4.73 0.00 3.41 -1.26 -4.88 113.62 104.33 1bw4 n SER 37 Ca -0.02 -0.49 -0.39 0.00 -0.26 0.00 0.00 58.87 57.71 1bw4 n SER 37 Cb 0.20 0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 64.27 1bw4 n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1bw4 s LYS 38 N -2.79 4.37 0.78 4.33 1.02 0.79 -5.04 119.74 123.19 1bw4 s LYS 38 Ca 0.17 0.65 -0.16 0.00 0.02 0.00 0.00 55.97 56.65 1bw4 s LYS 38 Cb 0.18 -3.42 -0.07 0.00 -0.52 0.00 0.00 37.83 34.00 1bw4 s LYS 38 CO 0.62 0.16 0.09 -0.35 -0.92 0.00 0.00 175.35 174.95 1bw4 n PRO 39 N 3.55 0.09 0.27 -1.68 -0.04 -1.26 -4.76 135.00 131.17 1bw4 n PRO 39 Ca -0.05 0.06 0.16 0.00 -0.04 0.00 0.00 63.50 63.63 1bw4 n PRO 39 Cb 0.51 -1.50 0.79 0.00 -0.04 0.00 0.00 33.50 33.26 1bw4 n PRO 39 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bw4 h LEU 40 N -0.61 0.00 0.00 1.53 4.07 -1.96 -3.29 115.31 115.04 1bw4 h LEU 40 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.52 1bw4 h LEU 40 Cb 1.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.09 1bw4 h LEU 40 CO 0.37 0.00 0.00 -0.24 -1.08 0.00 0.00 178.44 177.49 1bw4 n SER 41 N -3.11 0.00 0.10 -0.43 2.88 -1.26 -1.09 113.62 110.71 1bw4 n SER 41 Ca 0.01 0.48 -0.13 0.00 -1.33 0.00 0.00 58.87 57.89 1bw4 n SER 41 Cb 0.46 -0.05 -0.08 0.00 -0.75 0.00 0.00 64.21 63.78 1bw4 n SER 41 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1bw4 h TRP 42 N 0.00 -0.24 -0.69 0.66 7.01 -1.92 -0.52 115.95 120.25 1bw4 h TRP 42 Ca 0.00 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.12 1bw4 h TRP 42 Cb 0.00 0.08 -0.12 0.00 -2.10 0.00 0.00 29.16 27.02 1bw4 h TRP 42 CO -0.10 0.09 -0.21 0.54 -2.79 0.00 0.00 178.44 175.97 1bw4 n ARG 43 N -5.05 -0.10 0.00 2.65 1.74 -1.17 0.23 116.66 114.95 1bw4 n ARG 43 Ca -0.09 1.07 0.09 0.00 -0.77 0.00 0.00 57.85 58.15 1bw4 n ARG 43 Cb 0.23 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 1bw4 n ARG 43 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1bw4 n SER 44 N -5.08 1.56 -0.10 0.55 3.41 -0.25 -4.50 113.62 109.20 1bw4 n SER 44 Ca 0.09 -1.28 -0.06 0.00 -0.26 0.00 0.00 58.87 57.37 1bw4 n SER 44 Cb 0.32 0.61 0.02 0.00 -0.26 0.00 0.00 64.21 64.89 1bw4 n SER 44 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1bw4 h LYS 45 N 1.54 0.13 0.00 4.33 3.64 0.15 -3.43 116.57 122.93 1bw4 h LYS 45 Ca 0.00 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 1bw4 h LYS 45 Cb 0.58 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1bw4 h LYS 45 CO 0.00 0.08 0.00 0.66 -2.27 0.00 0.00 179.45 177.93 1bw4 n TYR 46 N -5.15 -3.02 0.00 1.91 4.01 -1.18 -5.08 117.16 108.65 1bw4 n TYR 46 Ca 0.01 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 1bw4 n TYR 46 Cb 0.17 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1bw4 n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bw4 n GLY 47 N 3.33 -0.71 3.15 2.72 0.00 -1.20 -4.90 105.19 107.58 1bw4 n GLY 47 Ca 0.04 -0.53 0.05 0.00 0.00 0.00 0.00 46.02 45.57 1bw4 n GLY 47 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bw4 s TRP 48 N 0.00 -1.07 -0.12 1.61 -0.11 -1.26 -4.47 118.94 113.52 1bw4 s TRP 48 Ca 0.00 0.91 -0.01 0.00 1.22 0.00 0.00 56.10 58.22 1bw4 s TRP 48 Cb 0.00 0.29 0.03 0.00 -1.50 0.00 0.00 33.47 32.29 1bw4 s TRP 48 CO 0.00 -0.60 -0.05 -0.08 -4.62 0.00 0.00 176.95 171.59 1bw4 s THR 49 N 2.91 0.90 0.55 5.86 -1.32 -0.25 -3.99 115.64 120.30 1bw4 s THR 49 Ca 0.13 -0.27 -0.02 0.00 -1.21 0.00 0.00 61.69 60.32 1bw4 s THR 49 Cb -0.10 -0.99 0.02 0.00 -1.51 0.00 0.00 72.50 69.93 1bw4 s THR 49 CO -0.19 0.30 0.80 0.00 -2.21 0.00 0.00 174.62 173.32 1bw4 s ALA 50 N 1.75 3.62 0.03 11.08 0.00 -1.22 -2.36 121.76 134.67 1bw4 s ALA 50 Ca 0.04 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.99 1bw4 s ALA 50 Cb -0.13 -2.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 1bw4 s ALA 50 CO -0.08 -0.73 -0.13 -0.59 0.00 0.00 0.00 175.76 174.24 1bw4 s PHE 51 N -2.82 1.15 -0.41 0.00 -0.12 0.18 -2.81 117.98 113.15 1bw4 s PHE 51 Ca 0.54 -0.31 0.09 0.00 -0.05 0.00 0.00 56.93 57.19 1bw4 s PHE 51 Cb -0.10 -0.70 0.38 0.00 -0.63 0.00 0.00 43.02 41.97 1bw4 s PHE 51 CO 0.41 0.01 1.32 0.00 -0.05 0.00 0.00 175.22 176.91 1bw4 s GLY 53 N -1.21 2.06 0.00 0.00 0.00 -1.25 -1.15 107.32 105.78 1bw4 s GLY 53 Ca 0.22 -1.96 -0.05 0.00 0.00 0.00 0.00 44.72 42.93 1bw4 s GLY 53 CO -0.08 -1.92 0.70 -0.56 0.00 0.00 0.00 173.10 171.24 1bw4 h PRO 54 N 1.87 -0.16 -2.59 2.90 0.13 -1.96 -3.32 132.00 128.88 1bw4 h PRO 54 Ca -0.43 0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.11 1bw4 h PRO 54 Cb 1.25 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 1bw4 h PRO 54 CO 0.67 -0.11 2.27 0.00 -0.23 0.00 0.00 178.00 180.60 1bw4 n ALA 55 N -2.13 6.99 -2.88 -0.56 0.00 -1.26 -4.46 120.51 116.20 1bw4 n ALA 55 Ca -0.02 -3.41 -0.15 0.00 0.00 0.00 0.00 53.44 49.86 1bw4 n ALA 55 Cb 0.06 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 16.67 1bw4 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw4 n GLY 56 N 2.41 2.81 3.54 0.00 0.00 -1.25 -0.46 105.19 112.23 1bw4 n GLY 56 Ca 0.64 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 1bw4 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw4 s PRO 57 N -2.88 3.18 0.00 1.61 0.04 -1.26 -4.59 135.00 131.11 1bw4 s PRO 57 Ca 0.35 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1bw4 s PRO 57 Cb 0.40 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1bw4 s PRO 57 CO -0.03 -2.11 0.00 -2.13 0.04 0.00 0.00 177.00 172.77 1bw4 n ARG 58 N 9.17 0.67 0.00 4.56 3.00 -1.26 -4.86 116.66 127.94 1bw4 n ARG 58 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 1bw4 n ARG 58 Cb 0.49 -0.56 0.00 0.00 0.00 0.00 0.00 32.46 32.39 1bw4 n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bw4 n GLY 59 N 0.78 0.00 0.00 5.14 0.00 -1.26 -3.57 105.19 106.27 1bw4 n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bw4 n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bw4 n GLN 60 N -0.04 0.00 -1.28 1.61 6.02 -1.26 -4.68 117.38 117.75 1bw4 n GLN 60 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 1bw4 n GLN 60 Cb 0.00 -0.14 -0.03 0.00 1.02 0.00 0.00 30.24 31.09 1bw4 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw4 n ALA 61 N -1.91 6.03 0.24 -1.58 0.00 -1.24 -4.08 120.51 117.98 1bw4 n ALA 61 Ca 0.00 -2.58 0.09 0.00 0.00 0.00 0.00 53.44 50.96 1bw4 n ALA 61 Cb 0.00 -1.90 -0.14 0.00 0.00 0.00 0.00 19.45 17.41 1bw4 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n ALA 62 N 0.74 3.19 -0.62 0.00 0.00 -1.23 -4.78 120.51 117.81 1bw4 n ALA 62 Ca 0.43 -0.48 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 1bw4 n ALA 62 Cb 0.57 -0.66 -0.09 0.00 0.00 0.00 0.00 19.45 19.27 1bw4 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n GLY 64 N 4.76 0.00 3.84 0.00 0.00 -1.24 -5.03 105.19 107.52 1bw4 n GLY 64 Ca 0.43 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.24 1bw4 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bw4 s LYS 65 N 0.00 2.85 0.36 1.61 1.02 0.80 -4.43 119.74 121.94 1bw4 s LYS 65 Ca 0.00 -1.15 0.07 0.00 0.02 0.00 0.00 55.97 54.91 1bw4 s LYS 65 Cb 0.00 -2.53 -0.07 0.00 -0.52 0.00 0.00 37.83 34.71 1bw4 s LYS 65 CO 0.00 0.28 -0.02 0.00 -0.92 0.00 0.00 175.35 174.68 1bw4 s LEU 67 N -3.62 2.04 -0.17 0.00 0.20 0.71 -0.32 118.68 117.52 1bw4 s LEU 67 Ca 0.34 -0.51 -0.05 0.00 0.69 0.00 0.00 54.13 54.60 1bw4 s LEU 67 Cb 0.07 -1.33 -0.03 0.00 -0.43 0.00 0.00 46.19 44.47 1bw4 s LEU 67 CO 0.16 0.19 -0.00 -0.60 -0.29 0.00 0.00 176.35 175.81 1bw4 s ARG 68 N 0.14 3.76 -0.05 1.98 3.52 -0.17 -0.60 118.95 127.53 1bw4 s ARG 68 Ca -0.12 -0.47 0.03 0.00 -0.13 0.00 0.00 55.73 55.05 1bw4 s ARG 68 Cb -0.16 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 1bw4 s ARG 68 CO 0.06 0.22 -0.15 0.08 -0.81 0.00 0.00 175.30 174.70 1bw4 s VAL 69 N 0.44 1.30 0.05 7.11 1.01 -0.44 -1.62 120.40 128.25 1bw4 s VAL 69 Ca -0.01 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.41 1bw4 s VAL 69 Cb -0.14 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1bw4 s VAL 69 CO 0.02 0.39 -0.19 -0.89 0.00 0.00 0.00 175.10 174.43 1bw4 s THR 70 N 0.29 1.50 -0.68 3.92 2.01 -0.93 -0.35 115.64 121.40 1bw4 s THR 70 Ca -0.08 -1.16 0.02 0.00 0.31 0.00 0.00 61.69 60.78 1bw4 s THR 70 Cb -0.13 -1.32 0.17 0.00 0.01 0.00 0.00 72.50 71.23 1bw4 s THR 70 CO 0.03 0.12 0.47 0.21 -0.69 0.00 0.00 174.62 174.77 1bw4 s ASN 71 N -1.22 4.96 0.62 3.53 2.47 0.90 -2.63 114.94 123.56 1bw4 s ASN 71 Ca 0.06 -3.46 0.29 0.00 0.42 0.00 0.00 52.86 50.17 1bw4 s ASN 71 Cb -0.09 -1.72 1.51 0.00 -1.45 0.00 0.00 41.25 39.51 1bw4 s ASN 71 CO 0.02 -0.18 1.90 -0.65 -3.72 0.00 0.00 177.10 174.46 1bw4 h PRO 72 N 6.05 0.00 -0.16 0.43 0.11 -1.84 0.24 132.00 136.84 1bw4 h PRO 72 Ca 0.06 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 1bw4 h PRO 72 Cb 0.83 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1bw4 h PRO 72 CO 0.73 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.50 1bw4 h ALA 73 N 1.40 1.67 0.00 -0.75 0.00 -1.94 -3.32 119.26 116.32 1bw4 h ALA 73 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1bw4 h ALA 73 Cb 0.97 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1bw4 h ALA 73 CO -0.00 0.25 -1.05 0.25 0.00 0.00 0.00 179.25 178.70 1bw4 n THR 74 N -4.38 0.05 0.00 0.00 -2.24 0.19 -5.02 114.28 102.88 1bw4 n THR 74 Ca -0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1bw4 n THR 74 Cb 0.18 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 1bw4 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw4 n GLY 75 N 3.19 0.60 3.86 3.38 0.00 0.60 -5.08 105.19 111.74 1bw4 n GLY 75 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1bw4 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 s ALA 76 N -2.00 3.15 0.02 4.61 0.00 -1.24 -4.79 121.76 121.51 1bw4 s ALA 76 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.84 1bw4 s ALA 76 Cb 0.00 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 20.14 1bw4 s ALA 76 CO 0.00 -0.29 0.28 1.14 0.00 0.00 0.00 175.76 176.89 1bw4 s GLN 77 N -4.29 0.72 0.07 0.00 -2.07 -1.26 -0.07 119.66 112.75 1bw4 s GLN 77 Ca 0.56 -0.39 -0.04 0.00 -1.82 0.00 0.00 55.36 53.66 1bw4 s GLN 77 Cb -0.10 0.31 -0.02 0.00 -1.09 0.00 0.00 33.01 32.11 1bw4 s GLN 77 CO 0.37 -0.21 0.07 -1.50 -1.32 0.00 0.00 175.29 172.69 1bw4 s ILE 78 N -1.99 0.18 -0.11 3.63 1.10 0.53 -4.99 121.20 119.56 1bw4 s ILE 78 Ca -0.09 -1.50 0.02 0.00 -0.51 0.00 0.00 60.65 58.56 1bw4 s ILE 78 Cb -0.03 -1.41 0.01 0.00 0.15 0.00 0.00 42.46 41.18 1bw4 s ILE 78 CO -0.00 -0.83 -0.15 -0.89 -2.11 0.00 0.00 174.94 170.96 1bw4 s THR 79 N -3.83 1.47 0.35 4.00 2.01 -1.26 -1.32 115.64 117.06 1bw4 s THR 79 Ca 0.06 -0.63 0.08 0.00 0.31 0.00 0.00 61.69 61.51 1bw4 s THR 79 Cb 0.06 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 1bw4 s THR 79 CO -0.10 0.44 0.15 0.00 -0.69 0.00 0.00 174.62 174.42 1bw4 s ALA 80 N 1.00 3.52 -0.24 7.40 0.00 0.24 -3.26 121.76 130.42 1bw4 s ALA 80 Ca -0.06 -1.86 -0.10 0.00 0.00 0.00 0.00 51.96 49.94 1bw4 s ALA 80 Cb -0.15 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1bw4 s ALA 80 CO -0.02 0.00 0.14 -0.98 0.00 0.00 0.00 175.76 174.91 1bw4 s ARG 81 N -3.86 3.99 -0.88 0.00 1.70 -1.26 -0.21 118.95 118.43 1bw4 s ARG 81 Ca 0.38 -0.31 -0.19 0.00 -0.47 0.00 0.00 55.73 55.14 1bw4 s ARG 81 Cb -0.02 -3.50 0.13 0.00 -0.57 0.00 0.00 34.95 30.99 1bw4 s ARG 81 CO 0.23 0.02 1.07 0.42 -1.08 0.00 0.00 175.30 175.96 1bw4 s ILE 82 N 1.16 4.73 0.00 4.99 1.01 0.51 -1.09 121.20 132.50 1bw4 s ILE 82 Ca 0.07 -1.46 0.00 0.00 0.00 0.00 0.00 60.65 59.26 1bw4 s ILE 82 Cb -0.14 -4.74 0.00 0.00 0.01 0.00 0.00 42.46 37.59 1bw4 s ILE 82 CO 0.05 -1.46 0.00 1.33 0.00 0.00 0.00 174.94 174.86 1bw4 n VAL 83 N 5.47 0.00 -4.10 2.92 0.24 -0.99 -3.65 118.33 118.22 1bw4 n VAL 83 Ca 0.19 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.22 1bw4 n VAL 83 Cb 0.48 0.30 -0.04 0.00 -1.47 0.00 0.00 33.84 33.12 1bw4 n VAL 83 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1bw4 s ASP 84 N -1.74 4.50 -0.04 -1.34 1.11 -1.21 -2.70 116.67 115.24 1bw4 s ASP 84 Ca 0.00 -1.24 -0.04 0.00 0.18 0.00 0.00 52.55 51.46 1bw4 s ASP 84 Cb 0.00 0.09 0.01 0.00 1.07 0.00 0.00 42.92 44.09 1bw4 s ASP 84 CO 0.00 -0.85 0.11 -1.58 1.18 0.00 0.00 175.17 174.02 1bw4 s GLN 85 N -4.08 0.12 0.54 8.23 0.74 -1.26 0.49 119.66 124.44 1bw4 s GLN 85 Ca 0.32 0.16 0.07 0.00 0.05 0.00 0.00 55.36 55.96 1bw4 s GLN 85 Cb 0.00 0.05 0.05 0.00 1.10 0.00 0.00 33.01 34.22 1bw4 s GLN 85 CO 0.19 -0.02 0.57 0.00 -0.55 0.00 0.00 175.29 175.47 1bw4 n ALA 87 N -1.95 1.35 -1.72 0.00 0.00 -1.26 -4.77 120.51 112.16 1bw4 n ALA 87 Ca 0.06 -0.49 -0.24 0.00 0.00 0.00 0.00 53.44 52.77 1bw4 n ALA 87 Cb 0.63 0.07 0.07 0.00 0.00 0.00 0.00 19.45 20.22 1bw4 n ALA 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw4 n ASN 88 N -3.80 5.40 -5.01 0.00 0.23 -1.26 -5.01 115.26 105.81 1bw4 n ASN 88 Ca -0.08 -3.77 -0.18 0.00 -0.53 0.00 0.00 54.58 50.02 1bw4 n ASN 88 Cb 0.29 -0.58 0.03 0.00 -2.08 0.00 0.00 39.78 37.44 1bw4 n ASN 88 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1bw4 s GLY 89 N -2.89 1.85 -0.40 4.83 0.00 -1.26 -4.99 107.32 104.46 1bw4 s GLY 89 Ca 0.54 -1.84 0.10 0.00 0.00 0.00 0.00 44.72 43.52 1bw4 s GLY 89 CO 0.02 -1.54 0.84 0.61 0.00 0.00 0.00 173.10 173.03 1bw4 n GLY 90 N -2.06 2.70 0.00 0.20 0.00 -0.76 -4.90 105.19 100.37 1bw4 n GLY 90 Ca 0.11 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1bw4 n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bw4 n LEU 91 N 0.34 0.00 0.00 0.99 -0.00 -0.30 -2.92 117.00 115.11 1bw4 n LEU 91 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1bw4 n LEU 91 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.09 1bw4 n LEU 91 CO 0.16 0.00 0.00 -0.90 -0.00 0.00 0.00 177.39 176.65 1bw4 n ASP 92 N 0.00 0.00 -3.79 1.96 5.68 -1.18 -0.64 116.55 118.57 1bw4 n ASP 92 Ca 0.00 -0.90 -0.30 0.00 -0.50 0.00 0.00 54.79 53.10 1bw4 n ASP 92 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 1bw4 n ASP 92 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 1bw4 s LEU 93 N 0.00 3.24 0.00 -2.12 2.34 -1.12 -0.34 118.68 120.68 1bw4 s LEU 93 Ca 0.00 -2.74 0.00 0.00 0.06 0.00 0.00 54.13 51.45 1bw4 s LEU 93 Cb 0.00 -1.24 0.00 0.00 -0.56 0.00 0.00 46.19 44.39 1bw4 s LEU 93 CO 0.00 -0.26 0.00 0.47 -1.06 0.00 0.00 176.35 175.50 1bw4 n ASP 94 N 3.42 0.00 0.00 1.48 9.92 -1.01 -3.37 116.55 126.99 1bw4 n ASP 94 Ca 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1bw4 n ASP 94 Cb 0.34 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1bw4 n ASP 94 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1bw4 n TRP 95 N -0.51 0.00 -0.26 1.24 -0.00 -1.25 -2.89 117.44 113.76 1bw4 n TRP 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1bw4 n TRP 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1bw4 n TRP 95 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1bw4 n ASP 96 N 1.73 0.27 -0.03 5.87 5.75 -1.26 -4.53 116.55 124.36 1bw4 n ASP 96 Ca 0.00 -0.65 -0.02 0.00 -0.01 0.00 0.00 54.79 54.11 1bw4 n ASP 96 Cb 0.00 0.24 -0.01 0.00 -1.03 0.00 0.00 41.12 40.32 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1bw4 h THR 97 N 0.26 0.00 0.00 2.12 1.35 -1.81 -3.41 112.91 111.43 1bw4 h THR 97 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1bw4 h THR 97 Cb 0.13 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.55 1bw4 h THR 97 CO 0.00 0.00 -0.02 0.52 -0.25 0.00 0.00 175.52 175.77 1bw4 n VAL 98 N -3.32 0.07 0.00 6.82 0.31 -1.26 -4.33 118.33 116.61 1bw4 n VAL 98 Ca -0.03 0.49 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 1bw4 n VAL 98 Cb 0.11 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1bw4 n VAL 98 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1bw4 n PHE 99 N -2.37 0.00 -0.53 3.52 7.35 -1.26 -0.62 117.46 123.56 1bw4 n PHE 99 Ca -0.00 0.00 0.42 0.00 -0.76 0.00 0.00 57.45 57.11 1bw4 n PHE 99 Cb 0.01 -0.45 0.65 0.00 0.35 0.00 0.00 39.48 40.03 1bw4 n PHE 99 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1bw4 n THR 100 N -2.50 0.00 -0.11 -2.13 -1.04 -1.26 -1.13 114.28 106.10 1bw4 n THR 100 Ca 0.00 1.26 -0.25 0.00 -2.04 0.00 0.00 64.05 63.02 1bw4 n THR 100 Cb 0.00 -2.12 -0.11 0.00 -1.82 0.00 0.00 70.33 66.28 1bw4 n THR 100 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1bw4 n LYS 101 N -3.53 0.59 0.02 -2.82 4.76 -0.86 -4.46 118.16 111.87 1bw4 n LYS 101 Ca 0.35 0.41 0.11 0.00 -2.87 0.00 0.00 58.31 56.32 1bw4 n LYS 101 Cb 1.68 -1.63 0.47 0.00 -1.84 0.00 0.00 35.03 33.71 1bw4 n LYS 101 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1bw4 n ILE 102 N -4.27 0.52 -3.50 -0.18 -6.64 0.21 -4.64 119.36 100.87 1bw4 n ILE 102 Ca -0.42 0.09 -0.38 0.00 -1.77 0.00 0.00 62.75 60.26 1bw4 n ILE 102 Cb 0.80 -0.76 -0.09 0.00 -1.44 0.00 0.00 39.64 38.14 1bw4 n ILE 102 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1bw4 s ASP 103 N -3.27 6.21 -0.04 7.28 2.15 -0.33 -4.84 116.67 123.83 1bw4 s ASP 103 Ca 0.10 0.23 0.12 0.00 0.43 0.00 0.00 52.55 53.43 1bw4 s ASP 103 Cb 0.14 -2.17 -0.23 0.00 -0.30 0.00 0.00 42.92 40.36 1bw4 s ASP 103 CO 0.42 -0.07 0.67 0.71 -0.17 0.00 0.00 175.17 176.73 1bw4 h THR 104 N 5.22 0.86 0.00 1.71 1.35 -1.89 -3.46 112.91 116.70 1bw4 h THR 104 Ca -0.35 -2.71 0.00 0.00 -0.55 0.00 0.00 66.41 62.80 1bw4 h THR 104 Cb 1.17 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 1bw4 h THR 104 CO 0.64 0.50 -0.37 -0.46 -0.25 0.00 0.00 175.52 175.59 1bw4 n ASN 105 N -3.06 0.08 0.00 5.36 6.94 -1.26 -5.13 115.26 118.18 1bw4 n ASN 105 Ca -0.17 0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.46 1bw4 n ASN 105 Cb 1.05 0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.48 1bw4 n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw4 n GLY 106 N 2.22 1.07 0.40 4.83 0.00 -1.26 -5.03 105.19 107.41 1bw4 n GLY 106 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1bw4 n GLY 106 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1bw4 h ILE 107 N 0.00 0.00 -0.54 -0.61 1.08 -1.99 0.11 117.51 115.55 1bw4 h ILE 107 Ca 0.00 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 1bw4 h ILE 107 Cb 0.00 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.66 1bw4 h ILE 107 CO 0.00 0.00 -0.54 1.23 -0.69 0.00 0.00 178.15 178.15 1bw4 h GLY 108 N -0.01 -0.86 -0.48 5.37 0.00 -1.97 0.23 103.07 105.36 1bw4 h GLY 108 Ca 0.28 0.70 0.31 0.00 0.00 0.00 0.00 47.33 48.63 1bw4 h GLY 108 CO -0.97 -0.10 0.60 -1.82 0.00 0.00 0.00 176.54 174.25 1bw4 h TYR 109 N -0.30 0.90 0.06 5.60 5.03 -1.10 0.39 116.97 127.56 1bw4 h TYR 109 Ca 0.11 0.04 -0.24 0.00 2.58 0.00 0.00 58.73 61.22 1bw4 h TYR 109 Cb 0.56 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 1bw4 h TYR 109 CO -0.77 -0.13 -1.11 1.96 -1.32 0.00 0.00 178.16 176.79 1bw4 h GLN 110 N 0.35 0.12 0.03 1.82 1.08 -0.16 -3.37 115.11 114.99 1bw4 h GLN 110 Ca 0.72 -0.21 -0.31 0.00 -1.45 0.00 0.00 58.65 57.39 1bw4 h GLN 110 Cb 1.66 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 29.12 1bw4 h GLN 110 CO -0.55 1.10 -1.80 0.94 -0.95 0.00 0.00 178.83 177.56 1bw4 n GLN 111 N -3.43 0.67 0.00 1.46 7.27 0.41 -5.02 117.38 118.74 1bw4 n GLN 111 Ca -0.04 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.31 1bw4 n GLN 111 Cb 0.98 -1.77 0.00 0.00 2.41 0.00 0.00 30.24 31.86 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bw4 n GLY 112 N 1.68 1.93 3.31 1.69 0.00 0.11 -5.07 105.19 108.85 1bw4 n GLY 112 Ca -0.21 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 1bw4 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw4 s HIS 113 N -0.40 0.36 0.36 1.61 0.00 -1.23 -3.72 115.29 112.28 1bw4 s HIS 113 Ca 0.00 -0.73 0.04 0.00 -3.00 0.00 0.00 55.06 51.36 1bw4 s HIS 113 Cb 0.00 -0.06 -0.05 0.00 -4.00 0.00 0.00 32.58 28.47 1bw4 s HIS 113 CO 0.00 -0.69 0.08 -1.17 -1.00 0.00 0.00 174.74 171.96 1bw4 s LEU 114 N -2.95 2.14 -0.28 5.38 2.96 0.03 -4.36 118.68 121.61 1bw4 s LEU 114 Ca 0.15 -1.49 -0.04 0.00 -0.22 0.00 0.00 54.13 52.53 1bw4 s LEU 114 Cb 0.04 -0.33 0.02 0.00 0.50 0.00 0.00 46.19 46.42 1bw4 s LEU 114 CO -0.02 -0.72 0.01 0.21 -1.32 0.00 0.00 176.35 174.51 1bw4 s ASN 115 N -3.55 4.73 0.28 3.68 3.04 -1.26 -0.34 114.94 121.52 1bw4 s ASN 115 Ca 0.30 -0.85 0.04 0.00 0.04 0.00 0.00 52.86 52.39 1bw4 s ASN 115 Cb 0.06 -1.76 -0.01 0.00 -1.54 0.00 0.00 41.25 38.00 1bw4 s ASN 115 CO 0.14 -0.17 0.29 1.33 -3.04 0.00 0.00 177.10 175.65 1bw4 n VAL 116 N 4.75 0.00 -4.83 -5.21 0.24 -0.98 -4.64 118.33 107.66 1bw4 n VAL 116 Ca -0.15 -1.88 -0.27 0.00 -2.04 0.00 0.00 64.34 60.00 1bw4 n VAL 116 Cb 0.47 0.99 -0.16 0.00 -1.47 0.00 0.00 33.84 33.67 1bw4 n VAL 116 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1bw4 s ASN 117 N -2.92 2.21 -0.09 -1.34 0.01 -1.08 -1.96 114.94 109.77 1bw4 s ASN 117 Ca 0.31 -0.37 -0.00 0.00 -0.71 0.00 0.00 52.86 52.08 1bw4 s ASN 117 Cb 0.01 -0.78 0.02 0.00 0.41 0.00 0.00 41.25 40.91 1bw4 s ASN 117 CO 0.22 0.12 -0.06 -0.72 -1.51 0.00 0.00 177.10 175.16 1bw4 s TYR 118 N 0.25 1.20 -0.02 2.20 -0.85 0.54 -2.19 117.35 118.46 1bw4 s TYR 118 Ca -0.09 -0.52 0.05 0.00 -0.52 0.00 0.00 57.07 55.99 1bw4 s TYR 118 Cb -0.14 -1.06 -0.01 0.00 0.38 0.00 0.00 41.96 41.14 1bw4 s TYR 118 CO 0.04 -0.42 -0.17 -0.65 -1.52 0.00 0.00 175.55 172.82 1bw4 s GLN 119 N 1.65 1.51 0.09 -3.49 1.11 -0.64 -0.78 119.66 119.11 1bw4 s GLN 119 Ca 0.02 -0.62 -0.30 0.00 0.01 0.00 0.00 55.36 54.47 1bw4 s GLN 119 Cb -0.13 -1.41 -0.06 0.00 -1.01 0.00 0.00 33.01 30.39 1bw4 s GLN 119 CO -0.06 0.34 1.21 -0.06 0.01 0.00 0.00 175.29 176.73 1bw4 s PHE 120 N -0.28 3.43 0.06 0.91 0.40 -0.07 -1.00 117.98 121.43 1bw4 s PHE 120 Ca 0.04 1.31 0.04 0.00 -0.60 0.00 0.00 56.93 57.72 1bw4 s PHE 120 Cb -0.08 -3.43 -0.03 0.00 0.51 0.00 0.00 43.02 39.99 1bw4 s PHE 120 CO 0.00 -1.31 -0.12 0.08 0.70 0.00 0.00 175.22 174.56 1bw4 s VAL 121 N 0.82 0.95 -0.01 -0.44 1.01 0.56 -4.87 120.40 118.42 1bw4 s VAL 121 Ca 0.58 -1.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 1bw4 s VAL 121 Cb -0.31 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1bw4 s VAL 121 CO 0.31 -0.28 0.54 -0.62 0.00 0.00 0.00 175.10 175.05 1bw4 s ASP 122 N -1.71 6.90 0.49 3.32 -1.08 -1.26 0.05 116.67 123.37 1bw4 s ASP 122 Ca -0.04 1.07 0.22 0.00 -0.52 0.00 0.00 52.55 53.29 1bw4 s ASP 122 Cb -0.10 -2.33 1.27 0.00 -1.46 0.00 0.00 42.92 40.30 1bw4 s ASP 122 CO 0.02 0.15 1.94 0.00 0.52 0.00 0.00 175.17 177.80 1bw4 n ARG 124 N -4.41 -0.32 0.00 0.00 1.85 -1.26 -5.05 116.66 107.47 1bw4 n ARG 124 Ca 0.13 0.04 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 1bw4 n ARG 124 Cb 0.64 -2.51 0.00 0.00 -1.05 0.00 0.00 32.46 29.54 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15