#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 1.49 -0.13 3.44 -0.21 -1.26 -0.46 119.66 122.53 1bw4 s GLN 2 Ca 0.00 -1.05 0.01 0.00 0.02 0.00 0.00 55.36 54.34 1bw4 s GLN 2 Cb 0.00 -2.57 0.02 0.00 1.00 0.00 0.00 33.01 31.46 1bw4 s GLN 2 CO 0.00 -0.66 -0.14 0.00 -2.12 0.00 0.00 175.29 172.37 1bw4 s ALA 3 N 1.39 1.73 0.43 6.09 0.00 -0.79 -5.05 121.76 125.58 1bw4 s ALA 3 Ca -0.03 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.20 1bw4 s ALA 3 Cb -0.19 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 1bw4 s ALA 3 CO -0.08 -0.24 0.14 0.54 0.00 0.00 0.00 175.76 176.12 1bw4 s ASN 4 N 1.27 4.29 -0.82 0.00 4.22 -1.26 -1.58 114.94 121.05 1bw4 s ASN 4 Ca -0.00 -1.22 -0.17 0.00 -2.14 0.00 0.00 52.86 49.32 1bw4 s ASN 4 Cb -0.14 -0.27 0.02 0.00 1.28 0.00 0.00 41.25 42.14 1bw4 s ASN 4 CO -0.06 -0.61 0.32 -0.67 -2.04 0.00 0.00 177.10 174.04 1bw4 n ASP 5 N -1.23 -1.78 -4.51 3.54 2.03 -1.24 -4.89 116.55 108.48 1bw4 n ASP 5 Ca -0.04 -0.83 -0.37 0.00 0.52 0.00 0.00 54.79 54.07 1bw4 n ASP 5 Cb 0.65 -1.00 -0.12 0.00 -0.72 0.00 0.00 41.12 39.93 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 -4.02 4.73 -0.44 5.18 1.01 -0.67 -4.92 120.40 121.26 1bw4 s VAL 6 Ca 0.24 -0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.90 1bw4 s VAL 6 Cb -0.13 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 1bw4 s VAL 6 CO 0.62 0.31 1.57 -0.13 0.00 0.00 0.00 175.10 177.47 1bw4 s ARG 7 N 1.64 3.34 -0.09 2.72 0.52 -1.26 -1.08 118.95 124.75 1bw4 s ARG 7 Ca 0.07 0.93 0.01 0.00 -0.52 0.00 0.00 55.73 56.22 1bw4 s ARG 7 Cb -0.15 -4.14 -0.02 0.00 0.52 0.00 0.00 34.95 31.16 1bw4 s ARG 7 CO 0.06 -1.86 -0.11 0.00 0.02 0.00 0.00 175.30 173.41 1bw4 s ALA 8 N 6.39 2.75 0.76 2.13 0.00 0.17 -4.96 121.76 128.99 1bw4 s ALA 8 Ca 0.65 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 51.61 1bw4 s ALA 8 Cb -0.15 -1.15 0.09 0.00 0.00 0.00 0.00 23.12 21.90 1bw4 s ALA 8 CO 0.30 0.43 1.09 0.95 0.00 0.00 0.00 175.76 178.53 1bw4 s THR 9 N -0.31 2.17 -0.42 0.00 -4.23 -1.26 -1.40 115.64 110.19 1bw4 s THR 9 Ca 0.03 -0.19 0.09 0.00 -1.18 0.00 0.00 61.69 60.44 1bw4 s THR 9 Cb -0.13 -2.97 0.30 0.00 1.34 0.00 0.00 72.50 71.04 1bw4 s THR 9 CO 0.03 0.00 0.67 0.00 -0.54 0.00 0.00 174.62 174.78 1bw4 n TYR 10 N -3.11 0.59 -4.07 3.99 4.11 -1.25 -4.69 117.16 112.74 1bw4 n TYR 10 Ca 0.09 -3.76 -0.33 0.00 -0.00 0.00 0.00 57.90 53.90 1bw4 n TYR 10 Cb 0.60 -0.41 -0.07 0.00 -0.00 0.00 0.00 39.34 39.47 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 -2.06 3.34 0.28 -3.48 2.46 -1.13 -4.87 115.29 109.84 1bw4 s HIS 11 Ca 0.39 0.25 -0.13 0.00 0.47 0.00 0.00 55.06 56.04 1bw4 s HIS 11 Cb 0.26 -1.77 0.01 0.00 -0.13 0.00 0.00 32.58 30.95 1bw4 s HIS 11 CO -0.09 0.57 0.55 1.52 -2.47 0.00 0.00 174.74 174.82 1bw4 s TYR 12 N -1.19 0.37 0.21 3.88 -0.85 -1.26 0.37 117.35 118.88 1bw4 s TYR 12 Ca 0.23 -0.76 0.06 0.00 -0.52 0.00 0.00 57.07 56.07 1bw4 s TYR 12 Cb -0.12 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 1bw4 s TYR 12 CO 0.14 -1.12 0.18 0.71 -1.52 0.00 0.00 175.55 173.93 1bw4 s TYR 13 N -3.65 3.15 -0.16 -3.49 2.02 0.40 -4.90 117.35 110.72 1bw4 s TYR 13 Ca 0.21 -0.06 0.14 0.00 -0.37 0.00 0.00 57.07 57.00 1bw4 s TYR 13 Cb -0.02 -1.47 0.39 0.00 -0.40 0.00 0.00 41.96 40.47 1bw4 s TYR 13 CO 0.11 0.52 1.20 -2.13 -1.57 0.00 0.00 175.55 173.67 1bw4 n ARG 14 N -0.78 1.27 -0.00 -0.62 0.63 -1.26 -1.95 116.66 113.95 1bw4 n ARG 14 Ca -0.08 -2.96 0.00 0.00 -0.92 0.00 0.00 57.85 53.89 1bw4 n ARG 14 Cb 0.56 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 32.14 1bw4 n ARG 14 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1bw4 n PRO 15 N -0.89 -0.00 -0.32 -0.14 -0.02 -1.26 -1.27 135.00 131.10 1bw4 n PRO 15 Ca 0.16 0.01 0.29 0.00 -2.02 0.00 0.00 63.50 61.95 1bw4 n PRO 15 Cb 0.75 -0.02 0.54 0.00 -0.02 0.00 0.00 33.50 34.76 1bw4 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 n ALA 16 N -3.11 0.95 -0.32 3.55 0.00 -1.26 -0.16 120.51 120.16 1bw4 n ALA 16 Ca 0.00 1.03 0.31 0.00 0.00 0.00 0.00 53.44 54.79 1bw4 n ALA 16 Cb 0.01 -0.98 0.68 0.00 0.00 0.00 0.00 19.45 19.15 1bw4 n ALA 16 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bw4 h GLN 17 N 0.00 0.11 -1.64 0.00 4.15 -1.62 0.89 115.11 117.00 1bw4 h GLN 17 Ca 0.81 -0.01 -0.67 0.00 0.77 0.00 0.00 58.65 59.56 1bw4 h GLN 17 Cb 2.10 -0.03 -0.35 0.00 0.21 0.00 0.00 27.48 29.42 1bw4 h GLN 17 CO -0.80 0.07 0.15 -1.71 -1.93 0.00 0.00 178.83 174.62 1bw4 n ASN 18 N -4.33 6.15 -3.80 -0.69 4.05 0.78 -4.85 115.26 112.57 1bw4 n ASN 18 Ca 0.26 -3.78 -0.22 0.00 0.45 0.00 0.00 54.58 51.28 1bw4 n ASN 18 Cb 1.13 -0.75 -0.07 0.00 1.23 0.00 0.00 39.78 41.33 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1bw4 n ASN 19 N -0.55 0.54 -3.77 1.20 5.15 0.31 -0.48 115.26 117.65 1bw4 n ASN 19 Ca 0.47 -0.91 -0.25 0.00 -0.60 0.00 0.00 54.58 53.30 1bw4 n ASN 19 Cb 0.50 -1.13 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 1bw4 n ASN 19 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1bw4 n TRP 20 N -3.56 -2.09 -1.72 1.20 7.02 -0.81 -4.78 117.44 112.71 1bw4 n TRP 20 Ca -0.23 0.86 -0.42 0.00 -1.02 0.00 0.00 57.50 56.69 1bw4 n TRP 20 Cb 0.49 -2.74 -0.02 0.00 -2.42 0.00 0.00 31.31 26.62 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 -2.49 3.65 0.07 -0.99 2.03 0.36 -4.68 116.55 114.49 1bw4 n ASP 21 Ca -0.31 -2.81 0.17 0.00 0.52 0.00 0.00 54.79 52.37 1bw4 n ASP 21 Cb 0.69 -1.54 0.45 0.00 -0.72 0.00 0.00 41.12 39.99 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 11.60 0.00 -3.71 -2.67 3.38 -1.87 0.80 115.31 122.84 1bw4 h LEU 22 Ca 0.50 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.29 1bw4 h LEU 22 Cb 0.69 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 1bw4 h LEU 22 CO 1.82 0.00 0.22 0.61 0.09 0.00 0.00 178.44 181.19 1bw4 n GLY 23 N -1.54 3.55 3.57 0.83 0.00 -1.26 -0.45 105.19 109.89 1bw4 n GLY 23 Ca 0.10 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 1bw4 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 s ALA 24 N -2.96 3.30 0.19 4.61 0.00 0.28 -4.85 121.76 122.31 1bw4 s ALA 24 Ca 0.55 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.70 1bw4 s ALA 24 Cb 0.44 -3.56 0.30 0.00 0.00 0.00 0.00 23.12 20.29 1bw4 s ALA 24 CO 0.14 -1.89 1.05 -0.35 0.00 0.00 0.00 175.76 174.71 1bw4 n PRO 25 N 6.94 -0.07 -0.51 0.00 -0.04 -1.26 -0.13 135.00 139.93 1bw4 n PRO 25 Ca 0.05 1.05 0.41 0.00 -0.04 0.00 0.00 63.50 64.98 1bw4 n PRO 25 Cb 0.48 -1.57 0.68 0.00 -0.04 0.00 0.00 33.50 33.05 1bw4 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 n ALA 26 N -3.74 1.43 0.02 0.55 0.00 -1.26 -3.17 120.51 114.34 1bw4 n ALA 26 Ca 0.10 0.76 -0.02 0.00 0.00 0.00 0.00 53.44 54.28 1bw4 n ALA 26 Cb 0.33 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 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 -4.35 1.07 -2.99 0.00 0.31 0.82 -5.10 118.33 108.09 1bw4 n VAL 27 Ca 0.39 0.28 -0.01 0.00 -0.01 0.00 0.00 64.34 64.99 1bw4 n VAL 27 Cb 1.60 -1.68 -0.01 0.00 -0.91 0.00 0.00 33.84 32.85 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 -3.55 -6.17 -4.82 4.52 3.41 -0.27 -4.95 113.62 101.79 1bw4 n SER 28 Ca -0.03 0.91 -0.37 0.00 -0.26 0.00 0.00 58.87 59.11 1bw4 n SER 28 Cb 0.18 -2.70 -0.06 0.00 -0.26 0.00 0.00 64.21 61.37 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 -0.67 3.58 0.14 7.33 0.00 0.40 -5.02 121.76 127.52 1bw4 s ALA 29 Ca -0.05 -0.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.60 1bw4 s ALA 29 Cb 0.00 -2.59 -0.06 0.00 0.00 0.00 0.00 23.12 20.47 1bw4 s ALA 29 CO 0.24 0.42 1.42 0.98 0.00 0.00 0.00 175.76 178.82 1bw4 n TYR 30 N 1.35 -0.40 0.25 0.00 4.19 -1.26 -0.72 117.16 120.57 1bw4 n TYR 30 Ca -0.08 1.12 0.03 0.00 3.31 0.00 0.00 57.90 62.28 1bw4 n TYR 30 Cb 0.51 -0.57 0.17 0.00 0.49 0.00 0.00 39.34 39.94 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 2.94 -0.85 -1.41 0.00 0.00 -1.23 0.35 119.26 119.06 1bw4 h ALA 32 Ca 0.00 -0.13 0.41 0.00 0.00 0.00 0.00 54.91 55.20 1bw4 h ALA 32 Cb 1.08 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 1bw4 h ALA 32 CO 0.20 -1.02 0.98 1.15 0.00 0.00 0.00 179.25 180.56 1bw4 h THR 33 N -0.79 0.26 -0.00 0.00 2.02 -1.78 0.27 112.91 112.88 1bw4 h THR 33 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1bw4 h THR 33 Cb 0.72 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1bw4 h THR 33 CO -0.10 0.01 -0.60 0.79 0.37 0.00 0.00 175.52 175.99 1bw4 n TRP 34 N -4.28 0.00 -0.04 3.16 8.01 -0.60 -4.64 117.44 119.05 1bw4 n TRP 34 Ca 0.33 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.48 1bw4 n TRP 34 Cb 1.44 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 30.70 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 -0.95 3.32 0.09 -0.99 8.00 0.11 -4.51 116.55 121.63 1bw4 n ASP 35 Ca 0.04 -0.01 0.06 0.00 0.71 0.00 0.00 54.79 55.59 1bw4 n ASP 35 Cb 0.28 0.43 0.32 0.00 -0.02 0.00 0.00 41.12 42.13 1bw4 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bw4 n ALA 36 N -2.40 1.08 0.17 2.24 0.00 0.78 -0.05 120.51 122.33 1bw4 n ALA 36 Ca -0.12 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1bw4 n ALA 36 Cb 0.70 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 19.00 1bw4 n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bw4 h SER 37 N 0.00 0.00 -3.68 0.00 4.64 -1.79 -3.47 113.55 109.24 1bw4 h SER 37 Ca 0.00 -0.03 -0.50 0.00 -0.47 0.00 0.00 61.79 60.79 1bw4 h SER 37 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 1bw4 h SER 37 CO 0.00 0.02 0.14 -0.54 -0.87 0.00 0.00 176.83 175.57 1bw4 s LYS 38 N -3.33 4.18 0.65 4.77 3.01 0.93 -5.02 119.74 124.94 1bw4 s LYS 38 Ca 0.01 0.85 -0.18 0.00 -1.01 0.00 0.00 55.97 55.64 1bw4 s LYS 38 Cb 0.10 -2.66 -0.01 0.00 -1.01 0.00 0.00 37.83 34.25 1bw4 s LYS 38 CO 0.78 0.27 1.29 -1.25 0.51 0.00 0.00 175.35 176.94 1bw4 s PRO 39 N -2.43 2.52 0.31 -1.68 0.04 -1.26 -4.78 135.00 127.72 1bw4 s PRO 39 Ca 0.49 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.64 1bw4 s PRO 39 Cb -0.14 -1.84 0.89 0.00 0.04 0.00 0.00 34.50 33.44 1bw4 s PRO 39 CO 0.19 -1.62 1.63 1.25 0.04 0.00 0.00 177.00 178.50 1bw4 h LEU 40 N 0.48 0.09 0.00 -3.56 6.46 -1.95 -2.93 115.31 113.89 1bw4 h LEU 40 Ca -0.51 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1bw4 h LEU 40 Cb 1.33 0.27 0.00 0.00 -0.73 0.00 0.00 40.66 41.53 1bw4 h LEU 40 CO 0.53 -0.21 0.00 -1.54 -0.62 0.00 0.00 178.44 176.59 1bw4 n SER 41 N -5.23 0.00 -0.38 1.25 3.41 -1.26 -2.75 113.62 108.66 1bw4 n SER 41 Ca 0.26 0.62 -0.01 0.00 -0.26 0.00 0.00 58.87 59.49 1bw4 n SER 41 Cb 0.84 -0.12 0.05 0.00 -0.26 0.00 0.00 64.21 64.72 1bw4 n SER 41 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1bw4 n TRP 42 N -1.12 0.05 -0.00 7.33 -0.00 -1.20 -0.36 117.44 122.14 1bw4 n TRP 42 Ca 0.00 1.23 -0.00 0.00 -0.00 0.00 0.00 57.50 58.73 1bw4 n TRP 42 Cb 0.00 -0.89 -0.00 0.00 -0.00 0.00 0.00 31.31 30.42 1bw4 n TRP 42 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 177.69 175.56 1bw4 n ARG 43 N -5.48 -0.00 0.05 5.87 0.63 -1.11 -2.08 116.66 114.53 1bw4 n ARG 43 Ca 0.11 0.65 -0.20 0.00 -0.92 0.00 0.00 57.85 57.49 1bw4 n ARG 43 Cb 0.41 -0.98 -0.14 0.00 0.45 0.00 0.00 32.46 32.20 1bw4 n ARG 43 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1bw4 h SER 44 N 0.00 0.57 -0.30 6.15 4.64 -1.21 -3.39 113.55 120.01 1bw4 h SER 44 Ca 0.00 -0.89 0.03 0.00 -0.47 0.00 0.00 61.79 60.46 1bw4 h SER 44 Cb 0.00 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 61.87 1bw4 h SER 44 CO -0.01 1.41 -0.17 1.17 -0.87 0.00 0.00 176.83 178.37 1bw4 n LYS 45 N -4.06 -0.12 -3.13 4.77 4.81 0.52 -4.31 118.16 116.63 1bw4 n LYS 45 Ca -0.13 0.45 -0.39 0.00 -0.87 0.00 0.00 58.31 57.37 1bw4 n LYS 45 Cb 0.84 -0.67 -0.06 0.00 0.02 0.00 0.00 35.03 35.16 1bw4 n LYS 45 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1bw4 s TYR 46 N -5.17 3.75 0.00 5.64 2.02 -1.12 -4.91 117.35 117.55 1bw4 s TYR 46 Ca -0.04 1.35 0.00 0.00 -0.37 0.00 0.00 57.07 58.01 1bw4 s TYR 46 Cb 0.04 -2.67 0.00 0.00 -0.40 0.00 0.00 41.96 38.93 1bw4 s TYR 46 CO 0.19 0.40 0.00 0.41 -1.57 0.00 0.00 175.55 174.98 1bw4 n GLY 47 N 2.18 0.00 1.54 0.71 0.00 -1.21 -4.62 105.19 103.79 1bw4 n GLY 47 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 1bw4 n GLY 47 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1bw4 n TRP 48 N 0.00 -1.87 -3.64 1.61 -0.00 -1.26 -4.55 117.44 107.73 1bw4 n TRP 48 Ca 0.00 1.11 -0.10 0.00 -0.00 0.00 0.00 57.50 58.51 1bw4 n TRP 48 Cb 0.00 -2.71 -0.07 0.00 -0.00 0.00 0.00 31.31 28.53 1bw4 n TRP 48 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 1bw4 s THR 49 N -0.23 -0.00 0.35 5.87 -1.32 0.27 -4.30 115.64 116.27 1bw4 s THR 49 Ca -0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 1bw4 s THR 49 Cb 0.00 -0.98 -0.02 0.00 -1.51 0.00 0.00 72.50 69.99 1bw4 s THR 49 CO 0.01 0.00 0.53 0.00 -2.21 0.00 0.00 174.62 172.95 1bw4 s ALA 50 N 1.03 3.84 0.04 11.08 0.00 -1.22 -0.92 121.76 135.61 1bw4 s ALA 50 Ca -0.05 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1bw4 s ALA 50 Cb -0.05 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 1bw4 s ALA 50 CO -0.10 -0.05 -0.04 0.12 0.00 0.00 0.00 175.76 175.69 1bw4 s PHE 51 N -2.28 0.47 -0.40 0.00 5.36 0.15 -2.55 117.98 118.73 1bw4 s PHE 51 Ca 0.41 -0.74 0.08 0.00 -0.96 0.00 0.00 56.93 55.73 1bw4 s PHE 51 Cb -0.10 -0.32 0.26 0.00 -0.34 0.00 0.00 43.02 42.53 1bw4 s PHE 51 CO 0.34 -0.23 0.58 0.00 -1.46 0.00 0.00 175.22 174.45 1bw4 s GLY 53 N -1.36 1.64 0.00 0.00 0.00 -1.26 -4.61 107.32 101.73 1bw4 s GLY 53 Ca 0.35 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1bw4 s GLY 53 CO -0.12 -1.71 0.96 -1.55 0.00 0.00 0.00 173.10 170.68 1bw4 n PRO 54 N 0.02 0.00 -1.31 2.90 -0.04 -1.26 -3.26 135.00 132.05 1bw4 n PRO 54 Ca -0.11 0.55 -0.29 0.00 -0.04 0.00 0.00 63.50 63.61 1bw4 n PRO 54 Cb 0.58 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.50 1bw4 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 n ALA 55 N -2.06 7.00 -3.27 0.55 0.00 -1.26 -4.58 120.51 116.89 1bw4 n ALA 55 Ca 0.00 -3.01 -0.25 0.00 0.00 0.00 0.00 53.44 50.18 1bw4 n ALA 55 Cb 0.00 -2.85 -0.07 0.00 0.00 0.00 0.00 19.45 16.52 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 2.76 3.62 3.55 0.00 0.00 -1.20 -2.24 105.19 111.69 1bw4 n GLY 56 Ca 0.63 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 1bw4 n GLY 56 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bw4 s PRO 57 N -1.71 2.48 0.31 1.61 0.02 -1.26 -4.82 135.00 131.63 1bw4 s PRO 57 Ca 0.37 0.91 0.00 0.00 0.02 0.00 0.00 61.00 62.31 1bw4 s PRO 57 Cb 0.17 -4.45 0.00 0.00 0.02 0.00 0.00 34.50 30.24 1bw4 s PRO 57 CO -0.07 -2.88 0.40 -2.13 -0.33 0.00 0.00 177.00 171.98 1bw4 n ARG 58 N 9.10 0.58 0.00 5.54 0.00 -1.26 -4.96 116.66 125.65 1bw4 n ARG 58 Ca 0.26 -2.60 0.00 0.00 -0.00 0.00 0.00 57.85 55.51 1bw4 n ARG 58 Cb 0.53 2.42 0.00 0.00 0.00 0.00 0.00 32.46 35.41 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 -0.53 0.85 0.00 5.14 0.00 -1.26 -4.99 105.19 104.40 1bw4 n GLY 59 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 0.00 1.61 6.02 -1.26 -4.36 117.38 119.39 1bw4 n GLN 60 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1bw4 n GLN 60 Cb 0.00 -0.42 0.00 0.00 1.02 0.00 0.00 30.24 30.84 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 -1.42 1.19 0.24 -1.58 0.00 -1.26 -1.15 120.51 116.54 1bw4 n ALA 61 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1bw4 n ALA 61 Cb 0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.29 2.83 -0.59 0.00 0.00 -1.26 -4.71 120.51 116.48 1bw4 n ALA 62 Ca 0.00 -0.24 0.45 0.00 0.00 0.00 0.00 53.44 53.64 1bw4 n ALA 62 Cb 0.00 -0.32 0.69 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.75 6.35 3.50 0.00 0.00 -1.26 -4.67 105.19 107.36 1bw4 n GLY 64 Ca 0.38 -2.66 -0.24 0.00 0.00 0.00 0.00 46.02 43.50 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 -3.61 1.77 0.24 1.61 -0.14 0.16 -4.29 119.74 115.47 1bw4 s LYS 65 Ca 0.52 -1.76 0.10 0.00 -1.36 0.00 0.00 55.97 53.47 1bw4 s LYS 65 Cb 0.41 -1.80 -0.05 0.00 -1.68 0.00 0.00 37.83 34.71 1bw4 s LYS 65 CO 0.02 0.30 -0.17 0.00 -0.76 0.00 0.00 175.35 174.74 1bw4 s LEU 67 N -3.40 2.47 -0.17 0.00 0.20 0.81 -0.27 118.68 118.33 1bw4 s LEU 67 Ca 0.26 -0.53 -0.20 0.00 0.69 0.00 0.00 54.13 54.35 1bw4 s LEU 67 Cb -0.03 -1.59 -0.03 0.00 -0.43 0.00 0.00 46.19 44.11 1bw4 s LEU 67 CO 0.11 -0.00 0.58 -0.60 -0.29 0.00 0.00 176.35 176.14 1bw4 s ARG 68 N 1.34 4.26 -0.06 1.98 3.52 0.78 -0.17 118.95 130.60 1bw4 s ARG 68 Ca 0.05 0.56 0.05 0.00 -0.13 0.00 0.00 55.73 56.26 1bw4 s ARG 68 Cb -0.14 -3.53 -0.01 0.00 -1.56 0.00 0.00 34.95 29.72 1bw4 s ARG 68 CO -0.08 -0.10 -0.22 0.08 -0.81 0.00 0.00 175.30 174.17 1bw4 s VAL 69 N 1.45 1.80 0.05 7.11 1.01 -0.27 -1.04 120.40 130.50 1bw4 s VAL 69 Ca 0.28 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1bw4 s VAL 69 Cb -0.16 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1bw4 s VAL 69 CO 0.11 0.51 -0.14 -0.89 0.00 0.00 0.00 175.10 174.69 1bw4 s THR 70 N -0.01 1.09 -0.60 3.92 2.01 -0.35 -0.69 115.64 121.01 1bw4 s THR 70 Ca -0.06 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.86 1bw4 s THR 70 Cb -0.14 -1.01 0.16 0.00 0.01 0.00 0.00 72.50 71.52 1bw4 s THR 70 CO 0.04 -0.05 0.41 0.21 -0.69 0.00 0.00 174.62 174.54 1bw4 s ASN 71 N -1.27 5.18 0.00 3.53 3.84 0.13 -1.70 114.94 124.65 1bw4 s ASN 71 Ca 0.01 -2.81 0.09 0.00 0.21 0.00 0.00 52.86 50.35 1bw4 s ASN 71 Cb -0.08 -1.84 0.42 0.00 -0.55 0.00 0.00 41.25 39.20 1bw4 s ASN 71 CO 0.01 -0.37 1.16 -2.65 -2.79 0.00 0.00 177.10 172.46 1bw4 n PRO 72 N 3.54 0.11 0.12 0.43 -0.02 -1.26 -0.02 135.00 137.89 1bw4 n PRO 72 Ca 0.07 0.22 0.02 0.00 -2.02 0.00 0.00 63.50 61.79 1bw4 n PRO 72 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1bw4 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 h ALA 73 N 2.39 0.65 0.00 3.55 0.00 -1.93 -3.39 119.26 120.53 1bw4 h ALA 73 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1bw4 h ALA 73 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1bw4 h ALA 73 CO 0.00 0.69 -1.17 0.25 0.00 0.00 0.00 179.25 179.02 1bw4 n THR 74 N -3.19 0.17 0.00 0.00 -2.24 -0.53 -5.03 114.28 103.46 1bw4 n THR 74 Ca 0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1bw4 n THR 74 Cb 0.76 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 3.11 0.86 3.80 3.38 0.00 0.97 -5.10 105.19 112.22 1bw4 n GLY 75 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 3.00 0.07 4.61 0.00 -1.23 -4.82 121.76 121.38 1bw4 s ALA 76 Ca 0.00 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.35 1bw4 s ALA 76 Cb 0.00 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.93 1bw4 s ALA 76 CO 0.00 -0.09 0.34 1.14 0.00 0.00 0.00 175.76 177.15 1bw4 s GLN 77 N -2.98 0.91 0.09 0.00 -2.07 -1.26 -0.70 119.66 113.65 1bw4 s GLN 77 Ca 0.62 -0.58 -0.01 0.00 -1.82 0.00 0.00 55.36 53.58 1bw4 s GLN 77 Cb -0.15 0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 1bw4 s GLN 77 CO 0.19 -0.32 -0.00 -1.50 -1.32 0.00 0.00 175.29 172.34 1bw4 s ILE 78 N -3.02 0.22 -0.31 3.63 1.10 0.13 -5.00 121.20 117.96 1bw4 s ILE 78 Ca -0.02 -1.86 -0.06 0.00 -0.51 0.00 0.00 60.65 58.20 1bw4 s ILE 78 Cb 0.01 -1.74 0.02 0.00 0.15 0.00 0.00 42.46 40.90 1bw4 s ILE 78 CO -0.06 -0.78 0.07 -0.89 -2.11 0.00 0.00 174.94 171.17 1bw4 s THR 79 N -3.94 3.74 0.12 4.00 2.01 -1.26 -1.12 115.64 119.19 1bw4 s THR 79 Ca 0.14 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 1bw4 s THR 79 Cb 0.08 -3.01 -0.06 0.00 0.01 0.00 0.00 72.50 69.52 1bw4 s THR 79 CO -0.05 -0.02 0.42 0.00 -0.69 0.00 0.00 174.62 174.29 1bw4 s ALA 80 N 1.43 3.72 -0.48 7.40 0.00 0.75 -3.28 121.76 131.30 1bw4 s ALA 80 Ca 0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 1bw4 s ALA 80 Cb -0.18 -2.26 0.06 0.00 0.00 0.00 0.00 23.12 20.74 1bw4 s ALA 80 CO 0.02 0.59 0.51 0.50 0.00 0.00 0.00 175.76 177.37 1bw4 s ARG 81 N -2.29 3.06 -1.04 0.00 3.52 -1.26 -0.13 118.95 120.81 1bw4 s ARG 81 Ca 0.38 -1.05 -0.24 0.00 -0.13 0.00 0.00 55.73 54.69 1bw4 s ARG 81 Cb -0.13 -4.09 -0.14 0.00 -1.56 0.00 0.00 34.95 29.03 1bw4 s ARG 81 CO 0.21 -1.09 1.94 -0.89 -0.81 0.00 0.00 175.30 174.65 1bw4 n ILE 82 N 5.43 1.53 -0.03 4.11 5.41 0.17 0.95 119.36 136.92 1bw4 n ILE 82 Ca -0.09 -1.54 -0.21 0.00 1.00 0.00 0.00 62.75 61.91 1bw4 n ILE 82 Cb 0.45 -2.16 -0.13 0.00 -0.71 0.00 0.00 39.64 37.08 1bw4 n ILE 82 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 1bw4 n VAL 83 N 7.64 1.71 -4.43 1.39 3.14 -0.10 -3.94 118.33 123.75 1bw4 n VAL 83 Ca 0.45 -0.59 -0.24 0.00 -2.96 0.00 0.00 64.34 61.00 1bw4 n VAL 83 Cb 0.45 -1.70 -0.08 0.00 -1.06 0.00 0.00 33.84 31.45 1bw4 n VAL 83 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1bw4 s ASP 84 N -6.95 2.42 0.02 6.55 2.15 -1.20 -3.89 116.67 115.77 1bw4 s ASP 84 Ca -0.25 -1.74 0.07 0.00 0.43 0.00 0.00 52.55 51.05 1bw4 s ASP 84 Cb 0.07 0.58 -0.02 0.00 -0.30 0.00 0.00 42.92 43.25 1bw4 s ASP 84 CO 0.72 -1.02 -0.21 -1.58 -0.17 0.00 0.00 175.17 172.92 1bw4 s GLN 85 N -3.57 1.53 0.54 4.34 0.74 -1.26 0.30 119.66 122.28 1bw4 s GLN 85 Ca 0.30 -0.88 0.05 0.00 0.05 0.00 0.00 55.36 54.88 1bw4 s GLN 85 Cb 0.02 -1.58 0.06 0.00 1.10 0.00 0.00 33.01 32.60 1bw4 s GLN 85 CO 0.20 0.42 0.75 0.00 -0.55 0.00 0.00 175.29 176.10 1bw4 n ALA 87 N -2.24 1.94 -3.01 0.00 0.00 -1.26 -4.89 120.51 111.04 1bw4 n ALA 87 Ca 0.11 -0.29 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 1bw4 n ALA 87 Cb 0.60 0.11 -0.02 0.00 0.00 0.00 0.00 19.45 20.13 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 -3.50 2.09 -1.01 0.00 2.04 -1.26 -5.08 115.26 108.55 1bw4 n ASN 88 Ca -0.04 -3.19 0.00 0.00 -0.44 0.00 0.00 54.58 50.91 1bw4 n ASN 88 Cb 0.16 -0.58 0.00 0.00 -2.53 0.00 0.00 39.78 36.83 1bw4 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1bw4 n GLY 89 N 0.05 2.59 0.08 4.83 0.00 -1.26 -5.02 105.19 106.47 1bw4 n GLY 89 Ca 0.25 -2.09 0.01 0.00 0.00 0.00 0.00 46.02 44.20 1bw4 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw4 n GLY 90 N 5.00 0.84 0.00 -0.02 0.00 0.16 -4.80 105.19 106.37 1bw4 n GLY 90 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.39 0.00 0.00 0.99 -0.00 0.31 -2.85 117.00 115.05 1bw4 n LEU 91 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1bw4 n LEU 91 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1bw4 n LEU 91 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 177.39 176.49 1bw4 n ASP 92 N 0.00 0.00 -3.87 1.96 5.68 -1.17 -2.05 116.55 117.10 1bw4 n ASP 92 Ca 0.00 -0.88 -0.28 0.00 -0.50 0.00 0.00 54.79 53.13 1bw4 n ASP 92 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 1bw4 n ASP 92 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1bw4 n LEU 93 N 0.00 3.16 0.00 -2.12 -0.00 -1.06 -0.45 117.00 116.53 1bw4 n LEU 93 Ca 0.00 -5.23 0.00 0.00 -0.00 0.00 0.00 56.01 50.78 1bw4 n LEU 93 Cb 0.00 -0.77 0.00 0.00 -0.00 0.00 0.00 43.42 42.65 1bw4 n LEU 93 CO 0.00 1.78 0.00 0.47 -0.00 0.00 0.00 177.39 179.64 1bw4 n ASP 94 N 1.87 0.00 0.00 1.96 9.92 -0.82 -3.43 116.55 126.04 1bw4 n ASP 94 Ca 0.21 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 1bw4 n ASP 94 Cb 0.36 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 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 0.00 0.00 -0.70 1.24 -0.00 -1.26 -3.88 117.44 112.84 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 1.42 0.35 0.00 5.87 5.68 -1.26 -4.53 116.55 124.08 1bw4 n ASP 96 Ca 0.00 -1.05 0.00 0.00 -0.50 0.00 0.00 54.79 53.24 1bw4 n ASP 96 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1bw4 n THR 97 N -0.03 0.00 -0.02 2.12 -2.24 -1.25 -4.66 114.28 108.21 1bw4 n THR 97 Ca 0.00 0.03 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1bw4 n THR 97 Cb 0.22 -0.55 -0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1bw4 n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1bw4 n VAL 98 N -1.06 0.32 0.03 2.28 0.31 -1.26 -4.23 118.33 114.71 1bw4 n VAL 98 Ca 0.00 0.44 -0.08 0.00 -0.01 0.00 0.00 64.34 64.69 1bw4 n VAL 98 Cb 0.00 -1.70 -0.05 0.00 -0.91 0.00 0.00 33.84 31.18 1bw4 n VAL 98 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1bw4 h PHE 99 N -0.22 -0.81 0.00 3.52 3.57 -1.94 0.15 116.94 121.20 1bw4 h PHE 99 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1bw4 h PHE 99 Cb 0.11 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1bw4 h PHE 99 CO -0.05 -0.29 0.17 0.25 -2.23 0.00 0.00 178.31 176.16 1bw4 n THR 100 N -4.02 0.63 0.00 4.41 -2.24 -1.26 -1.67 114.28 110.12 1bw4 n THR 100 Ca -0.04 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1bw4 n THR 100 Cb 0.20 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 1bw4 n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bw4 n LYS 101 N -1.07 1.94 0.00 -0.78 5.02 -0.56 -4.73 118.16 117.99 1bw4 n LYS 101 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 1bw4 n LYS 101 Cb 0.17 -0.89 0.46 0.00 -0.02 0.00 0.00 35.03 34.75 1bw4 n LYS 101 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1bw4 n ILE 102 N -1.92 0.00 -0.94 -0.18 -6.64 0.40 -4.19 119.36 105.89 1bw4 n ILE 102 Ca 0.00 -0.19 -0.22 0.00 -1.77 0.00 0.00 62.75 60.57 1bw4 n ILE 102 Cb 0.39 0.43 0.06 0.00 -1.44 0.00 0.00 39.64 39.09 1bw4 n ILE 102 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 1bw4 n ASP 103 N -0.22 6.31 -0.22 7.28 5.75 -0.67 -4.66 116.55 130.13 1bw4 n ASP 103 Ca 0.16 -3.27 0.30 0.00 -0.01 0.00 0.00 54.79 51.98 1bw4 n ASP 103 Cb 0.35 -0.98 0.60 0.00 -1.03 0.00 0.00 41.12 40.06 1bw4 n ASP 103 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1bw4 h THR 104 N 0.94 0.13 0.07 2.12 1.35 -1.87 0.67 112.91 116.32 1bw4 h THR 104 Ca 0.40 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 66.02 1bw4 h THR 104 Cb 1.11 0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1bw4 h THR 104 CO 0.99 0.00 -1.13 -0.55 -0.25 0.00 0.00 175.52 174.58 1bw4 h ASN 105 N 0.00 0.24 0.00 5.36 -1.07 -1.96 -3.48 115.58 114.67 1bw4 h ASN 105 Ca 0.49 -0.25 0.00 0.00 0.07 0.00 0.00 56.30 56.60 1bw4 h ASN 105 Cb 2.53 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 38.70 1bw4 h ASN 105 CO -0.01 1.19 0.00 0.61 0.07 0.00 0.00 177.43 179.30 1bw4 n GLY 106 N 1.43 2.32 0.21 9.14 0.00 0.23 -4.86 105.19 113.67 1bw4 n GLY 106 Ca -0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 1bw4 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw4 n ILE 107 N 0.00 -0.29 -0.05 -0.61 2.08 -1.26 -0.28 119.36 118.95 1bw4 n ILE 107 Ca 0.00 1.27 -0.13 0.00 0.56 0.00 0.00 62.75 64.45 1bw4 n ILE 107 Cb 0.00 -1.67 -0.08 0.00 -0.75 0.00 0.00 39.64 37.14 1bw4 n ILE 107 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1bw4 h GLY 108 N 0.00 -0.84 -0.31 7.39 0.00 -1.89 -0.26 103.07 107.17 1bw4 h GLY 108 Ca 0.18 0.61 0.21 0.00 0.00 0.00 0.00 47.33 48.34 1bw4 h GLY 108 CO -0.54 -0.19 0.25 -1.82 0.00 0.00 0.00 176.54 174.24 1bw4 h TYR 109 N -0.47 0.39 0.00 5.60 5.03 -1.00 0.12 116.97 126.64 1bw4 h TYR 109 Ca 0.08 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.43 1bw4 h TYR 109 Cb 0.63 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.88 1bw4 h TYR 109 CO -0.59 -0.15 0.00 1.04 -1.32 0.00 0.00 178.16 177.15 1bw4 n GLN 110 N -5.17 0.67 -2.22 1.82 6.02 -0.11 -4.84 117.38 113.55 1bw4 n GLN 110 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1bw4 n GLN 110 Cb 0.62 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.72 1bw4 n GLN 110 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1bw4 n GLN 111 N 1.16 -5.06 0.00 -1.09 6.02 0.43 -5.03 117.38 113.81 1bw4 n GLN 111 Ca 0.00 3.67 0.00 0.00 -0.01 0.00 0.00 57.00 60.66 1bw4 n GLN 111 Cb 0.34 -4.42 0.00 0.00 1.02 0.00 0.00 30.24 27.17 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bw4 n GLY 112 N 1.76 -1.02 1.95 1.08 0.00 -1.22 -4.88 105.19 102.86 1bw4 n GLY 112 Ca 0.00 0.50 -0.28 0.00 0.00 0.00 0.00 46.02 46.24 1bw4 n GLY 112 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bw4 n HIS 113 N 0.00 -0.17 -4.42 1.61 1.44 -1.26 -4.55 115.22 107.87 1bw4 n HIS 113 Ca 0.00 0.56 -0.29 0.00 -2.01 0.00 0.00 57.72 55.98 1bw4 n HIS 113 Cb 0.00 -1.13 -0.04 0.00 0.12 0.00 0.00 29.99 28.94 1bw4 n HIS 113 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1bw4 n LEU 114 N 1.09 0.00 -4.39 2.39 -0.00 -0.49 -4.85 117.00 110.75 1bw4 n LEU 114 Ca 0.10 -2.95 -0.36 0.00 -0.00 0.00 0.00 56.01 52.80 1bw4 n LEU 114 Cb 0.13 0.20 -0.13 0.00 -0.00 0.00 0.00 43.42 43.62 1bw4 n LEU 114 CO 0.32 -0.49 -0.33 0.21 -0.00 0.00 0.00 177.39 177.11 1bw4 s ASN 115 N -3.84 4.75 0.42 1.45 2.47 -1.26 0.42 114.94 119.36 1bw4 s ASN 115 Ca 0.11 -0.29 0.03 0.00 0.42 0.00 0.00 52.86 53.13 1bw4 s ASN 115 Cb -0.01 -1.84 -0.02 0.00 -1.45 0.00 0.00 41.25 37.93 1bw4 s ASN 115 CO 0.07 -0.02 0.11 0.68 -3.72 0.00 0.00 177.10 174.21 1bw4 s VAL 116 N 1.53 0.71 -0.06 -5.21 -7.23 -0.24 -4.75 120.40 105.14 1bw4 s VAL 116 Ca 0.06 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.27 1bw4 s VAL 116 Cb -0.15 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.46 1bw4 s VAL 116 CO 0.01 0.00 -0.17 0.20 -0.31 0.00 0.00 175.10 174.83 1bw4 s ASN 117 N -3.65 2.22 -0.02 4.85 0.01 -0.69 -1.67 114.94 116.00 1bw4 s ASN 117 Ca 0.21 -0.37 0.01 0.00 -0.71 0.00 0.00 52.86 51.99 1bw4 s ASN 117 Cb 0.03 -0.82 0.01 0.00 0.41 0.00 0.00 41.25 40.88 1bw4 s ASN 117 CO 0.13 0.12 -0.01 -0.72 -1.51 0.00 0.00 177.10 175.11 1bw4 s TYR 118 N 0.29 0.24 -0.07 2.20 -0.85 -0.62 -1.21 117.35 117.33 1bw4 s TYR 118 Ca -0.10 -0.00 0.03 0.00 -0.52 0.00 0.00 57.07 56.47 1bw4 s TYR 118 Cb -0.14 -0.27 0.01 0.00 0.38 0.00 0.00 41.96 41.94 1bw4 s TYR 118 CO 0.04 -0.07 -0.14 -0.65 -1.52 0.00 0.00 175.55 173.21 1bw4 s GLN 119 N 0.56 1.88 -0.05 -3.49 -1.52 -0.20 -1.88 119.66 114.95 1bw4 s GLN 119 Ca -0.05 -0.49 -0.30 0.00 -1.95 0.00 0.00 55.36 52.56 1bw4 s GLN 119 Cb -0.08 -1.53 -0.05 0.00 -0.22 0.00 0.00 33.01 31.13 1bw4 s GLN 119 CO -0.01 0.07 1.48 -0.06 -0.25 0.00 0.00 175.29 176.52 1bw4 s PHE 120 N 0.54 2.50 -0.02 0.91 0.40 0.39 -0.15 117.98 122.55 1bw4 s PHE 120 Ca -0.14 0.60 0.05 0.00 -0.60 0.00 0.00 56.93 56.84 1bw4 s PHE 120 Cb -0.15 -3.74 -0.01 0.00 0.51 0.00 0.00 43.02 39.62 1bw4 s PHE 120 CO 0.04 -2.89 -0.16 0.54 0.70 0.00 0.00 175.22 173.45 1bw4 s VAL 121 N 3.25 1.27 -0.03 -0.44 0.11 0.63 -4.87 120.40 120.31 1bw4 s VAL 121 Ca 0.66 -0.68 -0.19 0.00 -2.93 0.00 0.00 61.98 58.84 1bw4 s VAL 121 Cb -0.31 -1.07 -0.05 0.00 -1.53 0.00 0.00 36.38 33.43 1bw4 s VAL 121 CO 0.25 0.36 0.55 1.51 -3.33 0.00 0.00 175.10 174.45 1bw4 s ASP 122 N -0.30 6.88 -0.16 3.54 -4.77 -1.26 -0.25 116.67 120.35 1bw4 s ASP 122 Ca 0.04 1.05 -0.17 0.00 -3.30 0.00 0.00 52.55 50.18 1bw4 s ASP 122 Cb -0.07 -2.33 -0.23 0.00 -1.09 0.00 0.00 42.92 39.20 1bw4 s ASP 122 CO -0.00 0.09 0.32 0.00 0.70 0.00 0.00 175.17 176.28 1bw4 n ARG 124 N -4.08 -1.23 0.00 0.00 0.00 -1.26 -5.10 116.66 104.99 1bw4 n ARG 124 Ca -0.30 0.61 0.09 0.00 -0.00 0.00 0.00 57.85 58.24 1bw4 n ARG 124 Cb 0.82 -1.72 0.53 0.00 0.00 0.00 0.00 32.46 32.09 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16