#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 1.12 -0.01 5.31 0.74 -1.26 -0.74 119.66 124.82 1bw4 s GLN 2 Ca 0.00 -0.10 -0.05 0.00 0.05 0.00 0.00 55.36 55.26 1bw4 s GLN 2 Cb 0.00 -1.31 0.00 0.00 1.10 0.00 0.00 33.01 32.80 1bw4 s GLN 2 CO 0.00 -0.28 0.10 0.00 -0.55 0.00 0.00 175.29 174.57 1bw4 s ALA 3 N 1.81 -0.24 0.43 1.58 0.00 -1.00 -5.06 121.76 119.28 1bw4 s ALA 3 Ca 0.05 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.95 1bw4 s ALA 3 Cb -0.12 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1bw4 s ALA 3 CO -0.07 -0.16 0.08 0.09 0.00 0.00 0.00 175.76 175.70 1bw4 n ASN 4 N 1.93 2.16 -3.90 0.00 4.13 -1.26 -1.84 115.26 116.48 1bw4 n ASN 4 Ca -0.20 -3.07 -0.25 0.00 1.68 0.00 0.00 54.58 52.74 1bw4 n ASN 4 Cb 0.56 0.69 0.01 0.00 -1.54 0.00 0.00 39.78 39.50 1bw4 n ASN 4 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1bw4 n ASP 5 N -1.43 -2.03 -4.63 6.41 8.00 -1.23 -4.91 116.55 116.72 1bw4 n ASP 5 Ca -0.12 -0.71 -0.34 0.00 0.71 0.00 0.00 54.79 54.32 1bw4 n ASP 5 Cb 0.59 -0.85 -0.10 0.00 -0.02 0.00 0.00 41.12 40.73 1bw4 n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bw4 s VAL 6 N -4.18 4.25 -0.59 2.53 1.01 -0.30 -4.92 120.40 118.20 1bw4 s VAL 6 Ca 0.25 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 1bw4 s VAL 6 Cb -0.14 -2.82 0.04 0.00 0.00 0.00 0.00 36.38 33.46 1bw4 s VAL 6 CO 0.53 0.56 1.03 -0.13 0.00 0.00 0.00 175.10 177.08 1bw4 s ARG 7 N -0.40 3.32 -0.11 2.72 0.52 -1.26 -1.51 118.95 122.23 1bw4 s ARG 7 Ca 0.07 -0.24 -0.02 0.00 -0.52 0.00 0.00 55.73 55.02 1bw4 s ARG 7 Cb -0.12 -4.08 -0.03 0.00 0.52 0.00 0.00 34.95 31.24 1bw4 s ARG 7 CO 0.02 -1.63 -0.03 0.00 0.02 0.00 0.00 175.30 173.68 1bw4 s ALA 8 N 4.33 3.11 0.00 2.13 0.00 0.28 -4.88 121.76 126.74 1bw4 s ALA 8 Ca 0.32 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1bw4 s ALA 8 Cb -0.12 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1bw4 s ALA 8 CO 0.19 0.44 0.00 0.25 0.00 0.00 0.00 175.76 176.64 1bw4 n THR 9 N 2.70 0.00 -3.06 0.00 -2.24 -1.26 0.09 114.28 110.51 1bw4 n THR 9 Ca -0.18 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.53 1bw4 n THR 9 Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 1bw4 n THR 9 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1bw4 s TYR 10 N 4.00 -1.13 -0.59 4.78 -0.85 -1.26 -4.50 117.35 117.79 1bw4 s TYR 10 Ca 0.00 -0.58 -0.26 0.00 -0.52 0.00 0.00 57.07 55.71 1bw4 s TYR 10 Cb 0.00 0.06 0.04 0.00 0.38 0.00 0.00 41.96 42.44 1bw4 s TYR 10 CO 0.00 -1.15 1.10 -1.58 -1.52 0.00 0.00 175.55 172.40 1bw4 s HIS 11 N 1.14 2.64 -1.01 -3.49 2.46 -1.10 -4.39 115.29 111.54 1bw4 s HIS 11 Ca 0.24 0.15 -0.18 0.00 0.47 0.00 0.00 55.06 55.74 1bw4 s HIS 11 Cb -0.03 -4.36 0.13 0.00 -0.13 0.00 0.00 32.58 28.19 1bw4 s HIS 11 CO -0.07 -1.56 1.25 1.52 -2.47 0.00 0.00 174.74 173.41 1bw4 s TYR 12 N 4.63 3.12 -0.94 3.88 -0.85 -1.26 -2.42 117.35 123.52 1bw4 s TYR 12 Ca 0.36 -1.50 -0.25 0.00 -0.52 0.00 0.00 57.07 55.17 1bw4 s TYR 12 Cb -0.10 -4.35 -0.08 0.00 0.38 0.00 0.00 41.96 37.81 1bw4 s TYR 12 CO 0.21 -1.53 2.03 -0.47 -1.52 0.00 0.00 175.55 174.27 1bw4 s TYR 13 N 2.77 1.70 -0.46 -3.49 6.14 0.41 -4.48 117.35 119.93 1bw4 s TYR 13 Ca 0.37 0.90 -0.42 0.00 0.64 0.00 0.00 57.07 58.56 1bw4 s TYR 13 Cb -0.03 -3.91 -0.18 0.00 0.42 0.00 0.00 41.96 38.26 1bw4 s TYR 13 CO -0.07 -1.59 1.80 0.54 0.64 0.00 0.00 175.55 176.87 1bw4 n ARG 14 N 8.73 0.00 -0.09 4.97 5.12 -1.26 -1.06 116.66 133.07 1bw4 n ARG 14 Ca 0.42 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 56.12 1bw4 n ARG 14 Cb 0.46 -1.39 -0.12 0.00 -1.16 0.00 0.00 32.46 30.25 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 5.72 0.60 -0.23 5.56 -0.04 -1.26 -4.63 135.00 140.71 1bw4 n PRO 15 Ca 0.43 0.51 0.01 0.00 -0.04 0.00 0.00 63.50 64.41 1bw4 n PRO 15 Cb -0.04 -1.73 0.05 0.00 -0.04 0.00 0.00 33.50 31.74 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 -3.40 0.02 0.00 0.55 0.00 -1.26 -2.30 120.51 114.12 1bw4 n ALA 16 Ca -0.33 0.64 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1bw4 n ALA 16 Cb 0.75 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1bw4 n ALA 16 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bw4 n GLN 17 N -4.94 0.00 -2.74 0.00 7.27 -1.26 -0.79 117.38 114.91 1bw4 n GLN 17 Ca 0.08 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.91 1bw4 n GLN 17 Cb 0.27 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.91 1bw4 n GLN 17 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1bw4 n ASN 18 N -3.89 3.70 -3.91 1.69 5.15 -1.09 -4.92 115.26 112.00 1bw4 n ASN 18 Ca 0.00 -3.48 -0.31 0.00 -0.60 0.00 0.00 54.58 50.19 1bw4 n ASN 18 Cb 0.00 -0.52 -0.02 0.00 -0.53 0.00 0.00 39.78 38.70 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 -0.25 -3.13 -1.85 1.20 2.85 0.03 -0.34 115.26 113.77 1bw4 n ASN 19 Ca 0.30 -0.76 -0.19 0.00 -0.11 0.00 0.00 54.58 53.82 1bw4 n ASN 19 Cb 0.60 -2.59 -0.05 0.00 1.24 0.00 0.00 39.78 38.98 1bw4 n ASN 19 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1bw4 n TRP 20 N -4.09 -0.47 -1.83 1.20 7.02 -0.97 -4.89 117.44 113.41 1bw4 n TRP 20 Ca 0.05 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.13 1bw4 n TRP 20 Cb 0.50 -3.51 -0.01 0.00 -2.42 0.00 0.00 31.31 25.87 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 -1.41 6.84 0.11 -0.99 2.03 0.54 -4.61 116.55 119.06 1bw4 n ASP 21 Ca -0.21 -2.92 0.19 0.00 0.52 0.00 0.00 54.79 52.37 1bw4 n ASP 21 Cb 0.66 -1.50 0.66 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 7.27 0.00 0.00 -2.67 3.38 -1.87 0.45 115.31 121.87 1bw4 h LEU 22 Ca 0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.63 1bw4 h LEU 22 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1bw4 h LEU 22 CO 1.67 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.81 1bw4 n GLY 23 N -1.47 -0.26 3.69 0.83 0.00 -1.26 -0.46 105.19 106.26 1bw4 n GLY 23 Ca 0.08 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.03 3.38 0.02 4.61 0.00 0.16 -4.74 121.76 123.16 1bw4 s ALA 24 Ca 0.11 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.48 1bw4 s ALA 24 Cb 0.05 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1bw4 s ALA 24 CO 0.09 -0.56 0.64 -2.30 0.00 0.00 0.00 175.76 173.64 1bw4 n PRO 25 N 4.81 -0.07 -0.43 0.00 -0.01 -1.26 -0.53 135.00 137.51 1bw4 n PRO 25 Ca 0.09 0.64 0.39 0.00 -0.01 0.00 0.00 63.50 64.60 1bw4 n PRO 25 Cb 0.49 -0.95 0.60 0.00 -0.01 0.00 0.00 33.50 33.62 1bw4 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bw4 n ALA 26 N -2.83 1.38 -0.03 3.55 0.00 -1.26 -2.64 120.51 118.68 1bw4 n ALA 26 Ca 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 53.44 53.88 1bw4 n ALA 26 Cb 0.04 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 -3.51 0.90 -3.57 0.00 0.31 0.31 -5.03 118.33 107.74 1bw4 n VAL 27 Ca 0.32 0.27 -0.18 0.00 -0.01 0.00 0.00 64.34 64.74 1bw4 n VAL 27 Cb 1.73 -1.86 -0.03 0.00 -0.91 0.00 0.00 33.84 32.77 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 -3.57 -0.25 -4.58 4.52 3.41 0.39 -4.92 113.62 108.63 1bw4 n SER 28 Ca -0.06 -0.66 -0.28 0.00 -0.26 0.00 0.00 58.87 57.60 1bw4 n SER 28 Cb 0.24 -0.82 0.22 0.00 -0.26 0.00 0.00 64.21 63.59 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 -3.87 0.15 0.07 7.33 0.00 -1.24 -4.79 121.76 119.42 1bw4 s ALA 29 Ca 0.07 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.63 1bw4 s ALA 29 Cb -0.04 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1bw4 s ALA 29 CO 0.51 -3.41 0.71 0.66 0.00 0.00 0.00 175.76 174.23 1bw4 n TYR 30 N -4.59 -0.20 0.28 0.00 4.01 -1.26 0.01 117.16 115.42 1bw4 n TYR 30 Ca 0.04 0.58 0.09 0.00 -0.16 0.00 0.00 57.90 58.44 1bw4 n TYR 30 Cb 0.56 -0.54 0.15 0.00 -0.31 0.00 0.00 39.34 39.20 1bw4 n TYR 30 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bw4 h ALA 32 N 3.44 -0.45 -0.99 0.00 0.00 -0.72 0.27 119.26 120.81 1bw4 h ALA 32 Ca 0.00 0.13 0.36 0.00 0.00 0.00 0.00 54.91 55.39 1bw4 h ALA 32 Cb 0.81 1.25 -0.17 0.00 0.00 0.00 0.00 17.79 19.68 1bw4 h ALA 32 CO 0.00 -0.92 0.42 1.15 0.00 0.00 0.00 179.25 179.90 1bw4 h THR 33 N -0.07 0.08 0.00 0.00 2.02 -1.81 0.34 112.91 113.47 1bw4 h THR 33 Ca 0.18 -0.03 -0.33 0.00 0.77 0.00 0.00 66.41 67.00 1bw4 h THR 33 Cb 0.48 -0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.82 1bw4 h THR 33 CO -0.88 0.01 -2.32 0.79 0.37 0.00 0.00 175.52 173.49 1bw4 n TRP 34 N -5.27 0.00 -0.07 3.16 8.01 -0.10 -4.71 117.44 118.47 1bw4 n TRP 34 Ca 0.33 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 56.29 1bw4 n TRP 34 Cb 1.08 -0.93 -0.12 0.00 -2.01 0.00 0.00 31.31 29.32 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 -2.69 1.98 0.03 -0.99 9.92 0.77 -4.33 116.55 121.23 1bw4 n ASP 35 Ca -0.30 0.29 0.01 0.00 -0.53 0.00 0.00 54.79 54.27 1bw4 n ASP 35 Cb 1.09 -0.88 0.06 0.00 -0.64 0.00 0.00 41.12 40.75 1bw4 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw4 n ALA 36 N -3.33 0.58 -0.00 2.24 0.00 0.12 0.29 120.51 120.41 1bw4 n ALA 36 Ca -0.35 0.02 -0.15 0.00 0.00 0.00 0.00 53.44 52.95 1bw4 n ALA 36 Cb 0.87 -0.60 -0.14 0.00 0.00 0.00 0.00 19.45 19.57 1bw4 n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bw4 n SER 37 N -1.41 1.53 -4.62 0.00 3.41 -1.26 -4.74 113.62 106.53 1bw4 n SER 37 Ca -0.00 0.32 -0.39 0.00 -0.26 0.00 0.00 58.87 58.53 1bw4 n SER 37 Cb 0.23 -0.49 0.03 0.00 -0.26 0.00 0.00 64.21 63.72 1bw4 n SER 37 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bw4 n LYS 38 N -3.28 1.20 -1.64 4.33 5.02 0.15 -4.90 118.16 119.04 1bw4 n LYS 38 Ca -0.24 0.44 -0.45 0.00 -2.02 0.00 0.00 58.31 56.04 1bw4 n LYS 38 Cb 1.05 -2.14 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 1bw4 n LYS 38 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1bw4 n PRO 39 N -0.41 1.74 -0.32 1.97 -0.04 -1.26 -4.74 135.00 131.94 1bw4 n PRO 39 Ca 0.11 0.61 0.14 0.00 -0.04 0.00 0.00 63.50 64.32 1bw4 n PRO 39 Cb 0.43 -2.14 0.27 0.00 -0.04 0.00 0.00 33.50 32.03 1bw4 n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bw4 n LEU 40 N 1.45 -0.10 0.00 1.53 4.77 -1.26 -2.34 117.00 121.05 1bw4 n LEU 40 Ca 0.09 1.55 0.00 0.00 -0.03 0.00 0.00 56.01 57.62 1bw4 n LEU 40 Cb 0.32 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1bw4 n LEU 40 CO 0.61 -1.57 0.34 -1.20 -1.33 0.00 0.00 177.39 174.24 1bw4 n SER 41 N -5.34 0.00 -0.22 -1.43 7.64 -1.26 -0.52 113.62 112.49 1bw4 n SER 41 Ca 0.22 0.68 0.03 0.00 1.01 0.00 0.00 58.87 60.81 1bw4 n SER 41 Cb 0.71 -0.18 0.13 0.00 -1.01 0.00 0.00 64.21 63.86 1bw4 n SER 41 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1bw4 h TRP 42 N 0.00 0.07 0.31 1.43 7.01 -1.88 0.62 115.95 123.51 1bw4 h TRP 42 Ca 0.00 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1bw4 h TRP 42 Cb 0.00 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.11 1bw4 h TRP 42 CO -0.20 -0.14 -0.35 0.00 -2.79 0.00 0.00 178.44 174.95 1bw4 h ARG 43 N 0.17 -0.65 -0.51 2.65 3.08 -1.21 -3.07 114.38 114.84 1bw4 h ARG 43 Ca 0.36 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1bw4 h ARG 43 Cb 0.60 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 1bw4 h ARG 43 CO -0.53 -0.43 0.34 0.66 -1.07 0.00 0.00 179.97 178.94 1bw4 h SER 44 N -0.67 0.59 -0.94 7.04 4.64 -0.60 -3.29 113.55 120.32 1bw4 h SER 44 Ca -0.04 -0.02 0.10 0.00 -0.47 0.00 0.00 61.79 61.36 1bw4 h SER 44 Cb 0.59 -0.15 -0.13 0.00 -0.31 0.00 0.00 62.40 62.41 1bw4 h SER 44 CO -0.07 0.44 -0.49 1.17 -0.87 0.00 0.00 176.83 177.01 1bw4 n LYS 45 N -4.72 -0.35 -0.46 4.77 4.81 0.19 -4.73 118.16 117.68 1bw4 n LYS 45 Ca 0.03 1.42 0.00 0.00 -0.87 0.00 0.00 58.31 58.89 1bw4 n LYS 45 Cb 0.03 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 32.97 1bw4 n LYS 45 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bw4 n TYR 46 N -5.24 -2.15 0.84 5.64 4.01 -1.17 -5.06 117.16 114.02 1bw4 n TYR 46 Ca 0.04 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.88 1bw4 n TYR 46 Cb 0.29 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.39 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 5.00 0.49 0.88 2.72 0.00 -1.26 -4.93 105.19 108.09 1bw4 n GLY 47 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1bw4 n GLY 47 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1bw4 n TRP 48 N 0.92 0.00 -2.80 1.61 4.27 -1.22 -4.55 117.44 115.67 1bw4 n TRP 48 Ca 0.11 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.38 1bw4 n TRP 48 Cb 0.48 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.37 1bw4 n TRP 48 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1bw4 s THR 49 N -0.67 4.33 0.84 -1.67 -4.23 0.29 -4.59 115.64 109.93 1bw4 s THR 49 Ca 0.00 1.55 -0.13 0.00 -1.18 0.00 0.00 61.69 61.94 1bw4 s THR 49 Cb 0.00 -3.69 0.10 0.00 1.34 0.00 0.00 72.50 70.25 1bw4 s THR 49 CO 0.00 -0.21 1.20 0.00 -0.54 0.00 0.00 174.62 175.07 1bw4 s ALA 50 N -2.04 2.56 -0.16 3.99 0.00 -1.26 -1.97 121.76 122.87 1bw4 s ALA 50 Ca 0.59 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.76 1bw4 s ALA 50 Cb -0.11 -2.93 0.07 0.00 0.00 0.00 0.00 23.12 20.14 1bw4 s ALA 50 CO 0.16 -1.82 0.36 -0.06 0.00 0.00 0.00 175.76 174.40 1bw4 s PHE 51 N -3.62 -0.59 -0.04 0.00 0.08 0.27 -2.68 117.98 111.39 1bw4 s PHE 51 Ca 0.64 1.23 -0.03 0.00 0.12 0.00 0.00 56.93 58.90 1bw4 s PHE 51 Cb -0.10 0.18 -0.01 0.00 -0.57 0.00 0.00 43.02 42.52 1bw4 s PHE 51 CO 0.50 -0.38 -0.05 0.00 -0.10 0.00 0.00 175.22 175.19 1bw4 n GLY 53 N 1.74 0.84 0.13 0.00 0.00 -1.26 -4.77 105.19 101.87 1bw4 n GLY 53 Ca -0.02 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.74 1bw4 n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bw4 h PRO 54 N 0.00 0.00 -2.52 1.61 0.13 -1.99 -3.45 132.00 125.78 1bw4 h PRO 54 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 1bw4 h PRO 54 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1bw4 h PRO 54 CO 0.00 0.38 2.01 0.00 -0.23 0.00 0.00 178.00 180.17 1bw4 n ALA 55 N -2.26 6.92 -3.05 -0.56 0.00 -1.26 -4.54 120.51 115.76 1bw4 n ALA 55 Ca -0.01 -3.32 -0.19 0.00 0.00 0.00 0.00 53.44 49.92 1bw4 n ALA 55 Cb 0.74 -2.77 -0.03 0.00 0.00 0.00 0.00 19.45 17.38 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 2.30 1.92 3.55 0.00 0.00 -1.26 -2.10 105.19 109.59 1bw4 n GLY 56 Ca 0.62 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.55 2.48 0.04 1.61 0.02 -1.26 -4.85 135.00 132.48 1bw4 s PRO 57 Ca 0.34 0.81 -0.21 0.00 0.02 0.00 0.00 61.00 61.96 1bw4 s PRO 57 Cb 0.19 -4.45 0.05 0.00 0.02 0.00 0.00 34.50 30.31 1bw4 s PRO 57 CO -0.16 -2.89 0.49 0.50 -0.33 0.00 0.00 177.00 174.61 1bw4 s ARG 58 N 7.37 0.98 0.00 5.54 3.00 -1.26 -4.95 118.95 129.63 1bw4 s ARG 58 Ca 0.75 -0.24 0.00 0.00 -1.00 0.00 0.00 55.73 55.24 1bw4 s ARG 58 Cb -0.14 0.45 0.00 0.00 0.00 0.00 0.00 34.95 35.26 1bw4 s ARG 58 CO 0.22 -0.34 0.00 0.41 0.00 0.00 0.00 175.30 175.59 1bw4 n GLY 59 N 0.52 0.93 0.00 8.12 0.00 -1.26 -4.96 105.19 108.54 1bw4 n GLY 59 Ca -0.19 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.14 1.61 6.02 -1.26 -4.42 117.38 118.19 1bw4 n GLN 60 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 1bw4 n GLN 60 Cb 0.00 -0.11 -0.12 0.00 1.02 0.00 0.00 30.24 31.03 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 -2.31 6.24 0.00 -1.58 0.00 -1.26 -2.61 120.51 118.99 1bw4 n ALA 61 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.30 1bw4 n ALA 61 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.29 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 1.83 1.77 -1.49 0.00 0.00 -1.26 -4.91 120.51 116.45 1bw4 n ALA 62 Ca 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.74 1bw4 n ALA 62 Cb 0.76 0.18 -0.10 0.00 0.00 0.00 0.00 19.45 20.29 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 5.89 0.41 4.01 0.00 0.00 -1.25 -5.10 105.19 109.14 1bw4 n GLY 64 Ca 0.35 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.18 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 2.48 0.44 1.61 1.02 0.58 -4.81 119.74 121.05 1bw4 s LYS 65 Ca 0.00 -1.30 0.03 0.00 0.02 0.00 0.00 55.97 54.72 1bw4 s LYS 65 Cb 0.00 -2.63 -0.02 0.00 -0.52 0.00 0.00 37.83 34.65 1bw4 s LYS 65 CO 0.00 -0.67 0.08 0.00 -0.92 0.00 0.00 175.35 173.84 1bw4 s LEU 67 N -3.69 1.89 -0.07 0.00 0.20 -1.12 -0.65 118.68 115.25 1bw4 s LEU 67 Ca 0.19 -0.20 0.01 0.00 0.69 0.00 0.00 54.13 54.82 1bw4 s LEU 67 Cb 0.03 -0.59 -0.03 0.00 -0.43 0.00 0.00 46.19 45.17 1bw4 s LEU 67 CO 0.11 0.10 -0.08 -0.60 -0.29 0.00 0.00 176.35 175.59 1bw4 s ARG 68 N -0.00 2.72 0.03 1.98 3.52 -0.31 -2.05 118.95 124.84 1bw4 s ARG 68 Ca -0.00 -0.57 0.06 0.00 -0.13 0.00 0.00 55.73 55.09 1bw4 s ARG 68 Cb -0.07 -2.56 -0.02 0.00 -1.56 0.00 0.00 34.95 30.74 1bw4 s ARG 68 CO 0.00 0.66 -0.18 0.08 -0.81 0.00 0.00 175.30 175.05 1bw4 s VAL 69 N -0.80 1.42 0.03 7.11 1.01 -0.84 -1.28 120.40 127.05 1bw4 s VAL 69 Ca 0.12 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1bw4 s VAL 69 Cb -0.11 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1bw4 s VAL 69 CO 0.01 0.20 -0.10 -0.89 0.00 0.00 0.00 175.10 174.33 1bw4 s THR 70 N -0.70 0.74 -0.48 3.92 2.01 -0.92 -0.92 115.64 119.29 1bw4 s THR 70 Ca 0.06 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 61.14 1bw4 s THR 70 Cb -0.08 -0.69 0.10 0.00 0.01 0.00 0.00 72.50 71.84 1bw4 s THR 70 CO 0.01 -0.07 0.38 0.21 -0.69 0.00 0.00 174.62 174.46 1bw4 s ASN 71 N -0.95 5.94 0.11 3.53 3.84 0.58 -2.11 114.94 125.87 1bw4 s ASN 71 Ca -0.02 -1.64 0.06 0.00 0.21 0.00 0.00 52.86 51.47 1bw4 s ASN 71 Cb -0.07 -2.10 0.31 0.00 -0.55 0.00 0.00 41.25 38.84 1bw4 s ASN 71 CO 0.00 -0.69 1.08 -2.65 -2.79 0.00 0.00 177.10 172.06 1bw4 n PRO 72 N 5.08 0.04 -0.08 0.43 -0.01 -1.26 -1.11 135.00 138.08 1bw4 n PRO 72 Ca -0.11 0.46 -0.16 0.00 -0.01 0.00 0.00 63.50 63.68 1bw4 n PRO 72 Cb 0.42 -1.75 -0.11 0.00 -0.01 0.00 0.00 33.50 32.05 1bw4 n PRO 72 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bw4 h ALA 73 N 1.57 0.11 0.00 3.55 0.00 -1.94 -3.41 119.26 119.14 1bw4 h ALA 73 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1bw4 h ALA 73 Cb 0.25 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bw4 h ALA 73 CO 0.00 0.31 -0.59 0.25 0.00 0.00 0.00 179.25 179.22 1bw4 n THR 74 N -4.55 0.00 0.00 0.00 -2.24 -0.94 -4.97 114.28 101.58 1bw4 n THR 74 Ca -0.19 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1bw4 n THR 74 Cb 0.53 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 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 1.30 3.06 2.08 3.38 0.00 -0.27 -5.00 105.19 109.73 1bw4 n GLY 75 Ca 0.02 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 1bw4 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 n ALA 76 N 0.00 -2.05 -2.64 4.61 0.00 -1.26 -4.24 120.51 114.93 1bw4 n ALA 76 Ca 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.69 1bw4 n ALA 76 Cb 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.30 1bw4 n ALA 76 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1bw4 s GLN 77 N 0.34 0.49 0.36 0.00 -2.07 -1.26 -0.31 119.66 117.21 1bw4 s GLN 77 Ca 0.55 -0.83 -0.07 0.00 -1.82 0.00 0.00 55.36 53.19 1bw4 s GLN 77 Cb -0.77 0.18 0.02 0.00 -1.09 0.00 0.00 33.01 31.35 1bw4 s GLN 77 CO 0.36 -0.10 0.59 -1.50 -1.32 0.00 0.00 175.29 173.32 1bw4 s ILE 78 N -2.56 0.00 0.05 3.63 1.10 -0.10 -5.00 121.20 118.32 1bw4 s ILE 78 Ca -0.06 -1.39 0.04 0.00 -0.51 0.00 0.00 60.65 58.74 1bw4 s ILE 78 Cb -0.02 -2.73 -0.03 0.00 0.15 0.00 0.00 42.46 39.84 1bw4 s ILE 78 CO -0.05 0.00 -0.11 -0.89 -2.11 0.00 0.00 174.94 171.78 1bw4 s THR 79 N -2.77 0.87 0.37 4.00 2.01 -1.26 -1.99 115.64 116.86 1bw4 s THR 79 Ca 0.25 -1.16 0.04 0.00 0.31 0.00 0.00 61.69 61.13 1bw4 s THR 79 Cb -0.02 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1bw4 s THR 79 CO 0.17 -0.26 0.08 0.00 -0.69 0.00 0.00 174.62 173.93 1bw4 s ALA 80 N -1.25 2.68 -0.01 7.40 0.00 -0.87 -4.67 121.76 125.04 1bw4 s ALA 80 Ca -0.05 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 50.30 1bw4 s ALA 80 Cb -0.10 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 1bw4 s ALA 80 CO 0.01 -0.31 -0.03 1.03 0.00 0.00 0.00 175.76 176.47 1bw4 s ARG 81 N -3.82 2.72 -0.12 0.00 0.52 -1.26 -2.77 118.95 114.21 1bw4 s ARG 81 Ca 0.30 -0.63 -0.20 0.00 -0.52 0.00 0.00 55.73 54.68 1bw4 s ARG 81 Cb 0.06 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 1bw4 s ARG 81 CO 0.14 0.63 0.56 0.42 0.02 0.00 0.00 175.30 177.07 1bw4 s ILE 82 N -1.02 5.12 0.00 1.52 1.01 0.51 0.10 121.20 128.45 1bw4 s ILE 82 Ca 0.18 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.94 1bw4 s ILE 82 Cb -0.11 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1bw4 s ILE 82 CO 0.08 0.26 0.00 0.55 0.00 0.00 0.00 174.94 175.83 1bw4 n VAL 83 N 3.93 0.00 -4.61 2.92 3.14 -0.83 -3.93 118.33 118.95 1bw4 n VAL 83 Ca -0.04 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.03 1bw4 n VAL 83 Cb 0.51 -0.65 -0.08 0.00 -1.06 0.00 0.00 33.84 32.56 1bw4 n VAL 83 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1bw4 s ASP 84 N -4.76 4.10 -0.16 6.55 1.01 -1.18 -3.33 116.67 118.90 1bw4 s ASP 84 Ca 0.00 -1.49 0.00 0.00 0.71 0.00 0.00 52.55 51.77 1bw4 s ASP 84 Cb 0.00 0.13 0.03 0.00 1.01 0.00 0.00 42.92 44.09 1bw4 s ASP 84 CO 0.00 -0.71 -0.11 -1.58 0.21 0.00 0.00 175.17 172.98 1bw4 s GLN 85 N -3.85 2.02 0.72 8.23 0.74 -1.26 0.96 119.66 127.22 1bw4 s GLN 85 Ca 0.20 -0.61 0.02 0.00 0.05 0.00 0.00 55.36 55.02 1bw4 s GLN 85 Cb 0.04 -2.14 0.14 0.00 1.10 0.00 0.00 33.01 32.15 1bw4 s GLN 85 CO 0.11 -0.32 0.99 0.00 -0.55 0.00 0.00 175.29 175.51 1bw4 n ALA 87 N -2.78 0.19 -2.53 0.00 0.00 -1.26 -4.38 120.51 109.74 1bw4 n ALA 87 Ca 0.17 -0.09 -0.26 0.00 0.00 0.00 0.00 53.44 53.25 1bw4 n ALA 87 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 1bw4 n ALA 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bw4 s ASN 88 N -2.17 2.87 0.57 0.00 2.20 -1.26 -4.94 114.94 112.21 1bw4 s ASN 88 Ca 0.00 -1.63 0.00 0.00 -0.94 0.00 0.00 52.86 50.29 1bw4 s ASN 88 Cb 0.00 0.43 0.00 0.00 -2.00 0.00 0.00 41.25 39.68 1bw4 s ASN 88 CO 0.00 -0.88 0.00 0.61 -2.94 0.00 0.00 177.10 173.89 1bw4 n GLY 89 N -0.92 0.74 3.66 0.45 0.00 -1.26 -4.61 105.19 103.25 1bw4 n GLY 89 Ca -0.07 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 -0.34 2.73 -0.02 0.00 -1.26 -4.63 105.19 101.67 1bw4 n GLY 90 Ca 0.00 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 1bw4 n GLY 90 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1bw4 n LEU 91 N 0.00 5.51 0.00 0.99 -0.00 -1.26 -2.71 117.00 119.53 1bw4 n LEU 91 Ca 0.16 -5.34 0.00 0.00 -0.00 0.00 0.00 56.01 50.83 1bw4 n LEU 91 Cb 0.55 -0.70 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 1bw4 n LEU 91 CO 0.39 2.17 0.00 -0.90 -0.00 0.00 0.00 177.39 179.05 1bw4 n ASP 92 N -0.35 0.00 -2.56 1.45 5.68 -1.02 -2.59 116.55 117.17 1bw4 n ASP 92 Ca 0.40 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.78 1bw4 n ASP 92 Cb 0.44 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 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 0.00 0.00 -2.12 7.94 -1.09 -0.44 117.00 121.28 1bw4 n LEU 93 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1bw4 n LEU 93 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1bw4 n LEU 93 CO 0.00 -0.25 0.00 -0.90 -1.11 0.00 0.00 177.39 175.13 1bw4 n ASP 94 N -1.40 0.00 -3.38 1.96 5.75 -0.22 -3.15 116.55 116.11 1bw4 n ASP 94 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.39 1bw4 n ASP 94 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 1bw4 n ASP 94 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1bw4 n TRP 95 N 0.00 2.52 -1.36 2.11 -0.00 -1.26 -4.14 117.44 115.31 1bw4 n TRP 95 Ca 0.00 -3.01 0.00 0.00 -0.00 0.00 0.00 57.50 54.49 1bw4 n TRP 95 Cb 0.00 -2.31 0.00 0.00 -0.00 0.00 0.00 31.31 29.00 1bw4 n TRP 95 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1bw4 n ASP 96 N 3.17 0.00 -0.43 5.87 2.03 -1.26 -4.49 116.55 121.45 1bw4 n ASP 96 Ca 0.73 0.00 0.32 0.00 0.52 0.00 0.00 54.79 56.36 1bw4 n ASP 96 Cb 0.24 0.00 0.50 0.00 -0.72 0.00 0.00 41.12 41.15 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1bw4 n THR 97 N -0.18 -0.02 0.07 5.18 -2.24 -1.26 0.15 114.28 115.98 1bw4 n THR 97 Ca 0.00 0.95 -0.12 0.00 -2.27 0.00 0.00 64.05 62.61 1bw4 n THR 97 Cb 0.00 -1.59 -0.08 0.00 -2.10 0.00 0.00 70.33 66.56 1bw4 n THR 97 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1bw4 h VAL 98 N 0.00 0.90 0.00 2.28 2.07 -1.93 -3.12 116.25 116.45 1bw4 h VAL 98 Ca 0.58 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1bw4 h VAL 98 Cb 2.29 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1bw4 h VAL 98 CO -0.04 0.20 0.00 0.33 0.02 0.00 0.00 177.57 178.08 1bw4 n PHE 99 N -4.98 0.00 -0.28 1.57 7.35 0.39 -0.04 117.46 121.48 1bw4 n PHE 99 Ca -0.08 0.00 0.33 0.00 -0.76 0.00 0.00 57.45 56.94 1bw4 n PHE 99 Cb 0.26 -0.41 0.62 0.00 0.35 0.00 0.00 39.48 40.31 1bw4 n PHE 99 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1bw4 h THR 100 N 0.00 0.13 0.00 -2.13 1.35 -1.70 0.12 112.91 110.68 1bw4 h THR 100 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.69 1bw4 h THR 100 Cb 0.00 0.18 -0.02 0.00 -1.73 0.00 0.00 68.15 66.57 1bw4 h THR 100 CO 0.00 0.00 -1.00 0.11 -0.25 0.00 0.00 175.52 174.38 1bw4 h LYS 101 N 0.00 0.00 0.00 4.72 1.57 -1.05 -3.39 116.57 118.42 1bw4 h LYS 101 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1bw4 h LYS 101 Cb 2.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.00 1bw4 h LYS 101 CO -0.01 0.79 0.00 -0.84 -0.57 0.00 0.00 179.45 178.83 1bw4 h ILE 102 N -1.00 0.00 0.00 1.86 3.07 0.30 -3.38 117.51 118.36 1bw4 h ILE 102 Ca -0.25 -0.53 -0.35 0.00 1.55 0.00 0.00 64.86 65.27 1bw4 h ILE 102 Cb 1.10 1.50 -0.03 0.00 -0.27 0.00 0.00 36.82 39.12 1bw4 h ILE 102 CO -0.15 0.00 1.13 0.47 -1.05 0.00 0.00 178.15 178.55 1bw4 n ASP 103 N -2.40 6.37 -0.27 2.16 9.92 0.36 -4.75 116.55 127.94 1bw4 n ASP 103 Ca 0.05 -2.49 0.03 0.00 -0.53 0.00 0.00 54.79 51.84 1bw4 n ASP 103 Cb 0.42 -1.44 0.08 0.00 -0.64 0.00 0.00 41.12 39.54 1bw4 n ASP 103 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1bw4 n THR 104 N 2.91 -0.34 -2.50 -3.53 -2.24 -1.26 -0.73 114.28 106.58 1bw4 n THR 104 Ca 0.55 1.72 -0.20 0.00 -2.27 0.00 0.00 64.05 63.85 1bw4 n THR 104 Cb 0.66 -2.35 0.01 0.00 -2.10 0.00 0.00 70.33 66.55 1bw4 n THR 104 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1bw4 n ASN 105 N -5.18 3.59 -2.46 3.42 6.94 -1.26 -4.95 115.26 115.36 1bw4 n ASN 105 Ca 0.11 -3.33 -0.23 0.00 -0.02 0.00 0.00 54.58 51.11 1bw4 n ASN 105 Cb 0.35 -0.47 -0.10 0.00 -2.36 0.00 0.00 39.78 37.19 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 -0.39 3.73 0.49 4.83 0.00 0.09 -4.61 105.19 109.33 1bw4 n GLY 106 Ca 0.29 -1.50 0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 2.21 0.22 -1.59 -0.61 1.08 -1.92 0.28 117.51 117.17 1bw4 h ILE 107 Ca 0.40 0.00 0.51 0.00 -0.39 0.00 0.00 64.86 65.37 1bw4 h ILE 107 Cb 1.01 0.33 -0.11 0.00 -3.07 0.00 0.00 36.82 34.98 1bw4 h ILE 107 CO 0.75 0.00 1.08 0.61 -0.69 0.00 0.00 178.15 179.90 1bw4 n GLY 108 N -1.65 -0.88 0.44 5.37 0.00 -1.26 -1.90 105.19 105.30 1bw4 n GLY 108 Ca 0.19 0.72 0.35 0.00 0.00 0.00 0.00 46.02 47.27 1bw4 n GLY 108 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bw4 n TYR 109 N -4.35 0.28 -1.55 1.61 9.36 0.08 0.84 117.16 123.45 1bw4 n TYR 109 Ca 0.41 0.29 -0.05 0.00 3.32 0.00 0.00 57.90 61.86 1bw4 n TYR 109 Cb 1.71 -0.68 0.18 0.00 -0.63 0.00 0.00 39.34 39.92 1bw4 n TYR 109 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1bw4 n GLN 110 N -3.84 1.98 0.06 2.98 -0.06 -0.80 -4.72 117.38 112.99 1bw4 n GLN 110 Ca 0.32 -3.33 0.00 0.00 -2.00 0.00 0.00 57.00 51.99 1bw4 n GLN 110 Cb 1.34 -1.84 0.00 0.00 -4.06 0.00 0.00 30.24 25.68 1bw4 n GLN 110 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1bw4 n GLN 111 N -1.08 0.00 0.00 3.69 7.27 0.25 -5.12 117.38 122.39 1bw4 n GLN 111 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.39 1bw4 n GLN 111 Cb 0.94 -0.38 0.00 0.00 2.41 0.00 0.00 30.24 33.21 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 3.16 1.29 3.20 1.69 0.00 -1.13 -5.15 105.19 108.25 1bw4 n GLY 112 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 1.12 0.26 1.61 -3.43 -1.26 -4.30 115.29 109.29 1bw4 s HIS 113 Ca 0.00 -0.69 0.08 0.00 -0.80 0.00 0.00 55.06 53.64 1bw4 s HIS 113 Cb 0.00 -0.60 -0.05 0.00 -1.43 0.00 0.00 32.58 30.49 1bw4 s HIS 113 CO 0.00 0.02 -0.10 -1.17 -2.00 0.00 0.00 174.74 171.49 1bw4 s LEU 114 N -2.68 2.53 -0.28 5.38 2.96 0.11 -4.88 118.68 121.82 1bw4 s LEU 114 Ca 0.09 -1.12 -0.02 0.00 -0.22 0.00 0.00 54.13 52.86 1bw4 s LEU 114 Cb -0.01 -0.72 0.04 0.00 0.50 0.00 0.00 46.19 46.00 1bw4 s LEU 114 CO -0.00 -0.24 -0.01 0.21 -1.32 0.00 0.00 176.35 174.98 1bw4 s ASN 115 N -3.42 4.72 0.36 3.68 3.84 -1.26 -0.55 114.94 122.31 1bw4 s ASN 115 Ca 0.28 -1.11 0.03 0.00 0.21 0.00 0.00 52.86 52.27 1bw4 s ASN 115 Cb 0.01 -1.71 -0.04 0.00 -0.55 0.00 0.00 41.25 38.97 1bw4 s ASN 115 CO 0.11 -0.21 0.11 0.68 -2.79 0.00 0.00 177.10 175.00 1bw4 s VAL 116 N 1.29 0.70 0.05 -5.21 -7.23 -0.57 -4.43 120.40 105.00 1bw4 s VAL 116 Ca -0.03 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.20 1bw4 s VAL 116 Cb -0.19 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 1bw4 s VAL 116 CO -0.02 0.00 -0.19 0.20 -0.31 0.00 0.00 175.10 174.78 1bw4 s ASN 117 N -3.52 2.23 -0.05 4.85 0.01 -0.90 -1.15 114.94 116.42 1bw4 s ASN 117 Ca 0.30 -0.51 -0.05 0.00 -0.71 0.00 0.00 52.86 51.89 1bw4 s ASN 117 Cb 0.05 -0.17 0.01 0.00 0.41 0.00 0.00 41.25 41.55 1bw4 s ASN 117 CO 0.15 0.12 0.13 -0.72 -1.51 0.00 0.00 177.10 175.27 1bw4 s TYR 118 N -0.83 -0.12 0.02 2.20 -0.85 -0.76 -2.17 117.35 114.82 1bw4 s TYR 118 Ca 0.06 0.30 0.03 0.00 -0.52 0.00 0.00 57.07 56.94 1bw4 s TYR 118 Cb -0.09 0.04 -0.01 0.00 0.38 0.00 0.00 41.96 42.28 1bw4 s TYR 118 CO 0.02 -0.09 -0.10 -0.65 -1.52 0.00 0.00 175.55 173.20 1bw4 s GLN 119 N -0.09 0.75 0.25 -3.49 -1.52 -0.40 -2.36 119.66 112.80 1bw4 s GLN 119 Ca -0.02 -0.53 -0.30 0.00 -1.95 0.00 0.00 55.36 52.56 1bw4 s GLN 119 Cb -0.02 -0.71 -0.10 0.00 -0.22 0.00 0.00 33.01 31.96 1bw4 s GLN 119 CO 0.00 0.18 1.43 -0.06 -0.25 0.00 0.00 175.29 176.60 1bw4 s PHE 120 N -0.60 3.02 0.04 0.91 0.40 0.08 -1.16 117.98 120.67 1bw4 s PHE 120 Ca 0.01 1.04 -0.03 0.00 -0.60 0.00 0.00 56.93 57.34 1bw4 s PHE 120 Cb -0.06 -3.81 -0.02 0.00 0.51 0.00 0.00 43.02 39.64 1bw4 s PHE 120 CO 0.00 -2.63 0.04 0.08 0.70 0.00 0.00 175.22 173.42 1bw4 s VAL 121 N -0.03 0.16 0.05 -0.44 1.01 0.18 -4.80 120.40 116.53 1bw4 s VAL 121 Ca 0.59 -1.31 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 1bw4 s VAL 121 Cb -0.42 -1.05 -0.06 0.00 0.00 0.00 0.00 36.38 34.85 1bw4 s VAL 121 CO 0.43 -0.73 0.54 -0.62 0.00 0.00 0.00 175.10 174.73 1bw4 s ASP 122 N -2.36 7.01 -0.14 3.32 2.15 -1.26 0.44 116.67 125.83 1bw4 s ASP 122 Ca -0.02 1.20 -0.10 0.00 0.43 0.00 0.00 52.55 54.06 1bw4 s ASP 122 Cb 0.01 -2.34 -0.25 0.00 -0.30 0.00 0.00 42.92 40.05 1bw4 s ASP 122 CO -0.06 0.27 0.33 0.00 -0.17 0.00 0.00 175.17 175.54 1bw4 n ARG 124 N -3.69 -0.85 0.00 0.00 0.63 -1.26 -5.15 116.66 106.34 1bw4 n ARG 124 Ca -0.32 0.40 0.08 0.00 -0.92 0.00 0.00 57.85 57.09 1bw4 n ARG 124 Cb 0.97 -3.14 0.49 0.00 0.45 0.00 0.00 32.46 31.24 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65