#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sx4 s ASN 2 N 0.00 5.24 0.21 3.17 4.22 -1.26 -4.68 114.94 121.84 1sx4 s ASN 2 Ca 0.00 -0.74 0.08 0.00 -2.14 0.00 0.00 52.86 50.06 1sx4 s ASN 2 Cb 0.00 0.06 -0.04 0.00 1.28 0.00 0.00 41.25 42.55 1sx4 s ASN 2 CO 0.00 -1.20 0.01 -0.63 -2.04 0.00 0.00 177.10 173.25 1sx4 s ILE 3 N -2.59 3.68 -0.34 0.54 1.09 -1.26 -5.11 121.20 117.22 1sx4 s ILE 3 Ca 0.60 -1.59 -0.01 0.00 -1.10 0.00 0.00 60.65 58.55 1sx4 s ILE 3 Cb -0.07 -2.90 0.13 0.00 -1.06 0.00 0.00 42.46 38.56 1sx4 s ILE 3 CO 0.38 -0.22 0.22 -0.60 -0.10 0.00 0.00 174.94 174.61 1sx4 s ARG 4 N -3.27 0.46 0.40 2.79 6.06 -1.26 -4.93 118.95 119.19 1sx4 s ARG 4 Ca 0.29 -1.00 -0.26 0.00 -2.50 0.00 0.00 55.73 52.27 1sx4 s ARG 4 Cb -0.08 -1.14 -0.09 0.00 0.06 0.00 0.00 34.95 33.71 1sx4 s ARG 4 CO 0.19 -1.15 1.24 -1.25 -2.50 0.00 0.00 175.30 171.83 1sx4 s PRO 5 N 1.45 4.03 -0.21 5.12 0.04 -1.26 -4.95 135.00 139.21 1sx4 s PRO 5 Ca 0.15 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 62.92 1sx4 s PRO 5 Cb -0.20 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1sx4 s PRO 5 CO -0.11 -0.39 0.97 -1.17 0.04 0.00 0.00 177.00 176.34 1sx4 s LEU 6 N -2.42 4.12 0.00 -3.56 1.98 -1.26 -4.16 118.68 113.37 1sx4 s LEU 6 Ca 0.56 1.29 0.00 0.00 -2.89 0.00 0.00 54.13 53.10 1sx4 s LEU 6 Cb -0.35 -3.43 0.00 0.00 0.66 0.00 0.00 46.19 43.08 1sx4 s LEU 6 CO 0.44 -0.58 0.00 0.00 -1.89 0.00 0.00 176.35 174.32 1sx4 n HIS 7 N 6.01 0.00 0.00 5.38 1.44 -1.26 -2.38 115.22 124.40 1sx4 n HIS 7 Ca 0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 1sx4 n HIS 7 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 1sx4 n HIS 7 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1sx4 n ASP 8 N 0.44 0.00 -4.77 4.39 2.03 -1.25 -4.53 116.55 112.86 1sx4 n ASP 8 Ca 0.00 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 1sx4 n ASP 8 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1sx4 n ASP 8 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1sx4 s ARG 9 N -0.05 4.14 -0.04 -0.67 1.81 -1.00 -2.73 118.95 120.42 1sx4 s ARG 9 Ca 0.00 1.71 0.07 0.00 -1.72 0.00 0.00 55.73 55.79 1sx4 s ARG 9 Cb 0.00 -2.67 -0.01 0.00 -0.45 0.00 0.00 34.95 31.82 1sx4 s ARG 9 CO 0.00 -0.21 -0.23 0.08 -0.68 0.00 0.00 175.30 174.26 1sx4 s VAL 10 N -1.48 1.89 -0.28 3.52 1.01 0.14 -2.33 120.40 122.86 1sx4 s VAL 10 Ca 0.56 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1sx4 s VAL 10 Cb -0.28 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1sx4 s VAL 10 CO 0.35 0.53 0.12 -0.63 0.00 0.00 0.00 175.10 175.47 1sx4 s ILE 11 N -0.34 4.55 0.21 2.22 1.01 0.13 -2.47 121.20 126.51 1sx4 s ILE 11 Ca 0.03 -0.27 0.06 0.00 0.00 0.00 0.00 60.65 60.47 1sx4 s ILE 11 Cb -0.11 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 1sx4 s ILE 11 CO 0.01 0.19 -0.10 0.68 0.00 0.00 0.00 174.94 175.72 1sx4 s VAL 12 N 1.63 1.49 -0.03 2.92 -7.23 0.30 0.65 120.40 120.13 1sx4 s VAL 12 Ca 0.05 -2.14 0.07 0.00 -1.81 0.00 0.00 61.98 58.16 1sx4 s VAL 12 Cb -0.16 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1sx4 s VAL 12 CO 0.06 -0.55 -0.25 -1.59 -0.31 0.00 0.00 175.10 172.46 1sx4 s LYS 13 N -3.71 2.10 0.76 4.82 -2.85 0.15 0.05 119.74 121.06 1sx4 s LYS 13 Ca 0.23 -0.89 -0.11 0.00 -1.00 0.00 0.00 55.97 54.20 1sx4 s LYS 13 Cb 0.02 -1.98 0.05 0.00 -2.06 0.00 0.00 37.83 33.85 1sx4 s LYS 13 CO 0.06 0.50 1.08 0.50 0.10 0.00 0.00 175.35 177.60 1sx4 s ARG 14 N -0.50 2.42 0.00 1.78 3.52 -1.26 -0.77 118.95 124.14 1sx4 s ARG 14 Ca 0.07 0.81 0.00 0.00 -0.13 0.00 0.00 55.73 56.48 1sx4 s ARG 14 Cb -0.10 -1.94 0.00 0.00 -1.56 0.00 0.00 34.95 31.34 1sx4 s ARG 14 CO -0.00 -1.43 0.00 1.63 -0.81 0.00 0.00 175.30 174.69 1sx4 n LYS 15 N -3.33 2.71 -2.10 5.12 5.02 -1.04 -4.79 118.16 119.75 1sx4 n LYS 15 Ca 0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 1sx4 n LYS 15 Cb 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.53 1sx4 n LYS 15 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sx4 s GLU 16 N -0.70 3.95 -0.05 1.97 0.41 -1.26 -4.55 118.70 118.48 1sx4 s GLU 16 Ca 0.00 1.84 -0.03 0.00 -0.41 0.00 0.00 54.97 56.37 1sx4 s GLU 16 Cb 0.00 -4.00 -0.03 0.00 -1.78 0.00 0.00 34.13 28.32 1sx4 s GLU 16 CO 0.00 -1.10 0.83 0.28 -0.49 0.00 0.00 175.26 174.78 1sx4 n VAL 17 N 6.03 0.00 -2.97 2.63 0.31 -1.26 -3.03 118.33 120.04 1sx4 n VAL 17 Ca 0.18 -0.45 -0.02 0.00 -0.01 0.00 0.00 64.34 64.04 1sx4 n VAL 17 Cb 0.44 -0.20 0.01 0.00 -0.91 0.00 0.00 33.84 33.18 1sx4 n VAL 17 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1sx4 n GLU 18 N 4.36 -1.33 -1.57 5.55 1.02 -1.26 -4.86 120.64 122.54 1sx4 n GLU 18 Ca 0.04 1.35 -0.57 0.00 -0.02 0.00 0.00 57.16 57.96 1sx4 n GLU 18 Cb 0.37 -5.47 -0.08 0.00 -0.02 0.00 0.00 31.44 26.24 1sx4 n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1sx4 n THR 19 N -1.89 0.21 -1.92 2.62 -1.04 -1.17 -4.73 114.28 106.36 1sx4 n THR 19 Ca -0.01 -0.10 -0.24 0.00 -2.04 0.00 0.00 64.05 61.67 1sx4 n THR 19 Cb 0.51 -1.18 -0.07 0.00 -1.82 0.00 0.00 70.33 67.78 1sx4 n THR 19 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1sx4 s LYS 20 N 4.61 2.20 0.00 -2.82 3.01 -1.26 -3.59 119.74 121.88 1sx4 s LYS 20 Ca 1.05 -0.48 0.00 0.00 -1.01 0.00 0.00 55.97 55.53 1sx4 s LYS 20 Cb -1.11 -5.07 0.00 0.00 -1.01 0.00 0.00 37.83 30.64 1sx4 s LYS 20 CO 0.63 -4.04 0.00 -1.13 0.51 0.00 0.00 175.35 171.32 1sx4 n SER 21 N 15.62 0.00 -4.07 2.83 3.41 -1.25 -4.60 113.62 125.56 1sx4 n SER 21 Ca 0.43 0.00 -0.48 0.00 -0.26 0.00 0.00 58.87 58.56 1sx4 n SER 21 Cb 0.46 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1sx4 n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sx4 n ALA 22 N -1.07 -2.99 0.00 7.33 0.00 -1.24 -1.31 120.51 121.24 1sx4 n ALA 22 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1sx4 n ALA 22 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1sx4 n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 23 N 1.66 2.51 0.00 0.00 0.00 -1.26 -4.57 105.19 103.52 1sx4 n GLY 23 Ca 0.17 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1sx4 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sx4 n GLY 24 N 0.00 -0.41 0.20 -0.02 0.00 -0.43 -4.92 105.19 99.61 1sx4 n GLY 24 Ca 0.00 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1sx4 n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1sx4 h ILE 25 N 0.00 0.70 -3.26 -0.61 2.04 -1.88 -3.45 117.51 111.06 1sx4 h ILE 25 Ca 0.00 -1.37 -0.58 0.00 1.00 0.00 0.00 64.86 63.92 1sx4 h ILE 25 Cb 0.00 1.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 1sx4 h ILE 25 CO 0.00 0.30 0.50 -0.69 0.00 0.00 0.00 178.15 178.26 1sx4 s VAL 26 N -3.57 4.83 -1.31 1.67 1.01 -1.26 -4.95 120.40 116.81 1sx4 s VAL 26 Ca 0.01 1.76 -0.12 0.00 0.00 0.00 0.00 61.98 63.63 1sx4 s VAL 26 Cb 0.10 -4.19 0.13 0.00 0.00 0.00 0.00 36.38 32.42 1sx4 s VAL 26 CO 0.67 -0.03 1.88 0.18 0.00 0.00 0.00 175.10 177.80 1sx4 n LEU 27 N 5.49 6.38 -4.45 3.92 4.32 -1.26 -3.93 117.00 127.47 1sx4 n LEU 27 Ca 0.07 -4.46 -0.45 0.00 -0.02 0.00 0.00 56.01 51.14 1sx4 n LEU 27 Cb 0.48 -1.56 -0.12 0.00 -1.62 0.00 0.00 43.42 40.60 1sx4 n LEU 27 CO 0.49 1.15 2.07 1.07 -1.22 0.00 0.00 177.39 180.95 1sx4 n THR 28 N 4.10 0.01 -1.66 -5.08 5.66 -1.26 -4.83 114.28 111.22 1sx4 n THR 28 Ca 0.43 -0.11 -0.40 0.00 -3.05 0.00 0.00 64.05 60.92 1sx4 n THR 28 Cb 0.38 -0.85 0.03 0.00 -1.55 0.00 0.00 70.33 68.35 1sx4 n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1sx4 n GLY 29 N 6.66 0.11 3.68 1.09 0.00 -1.26 -4.66 105.19 110.81 1sx4 n GLY 29 Ca 0.58 0.04 -0.54 0.00 0.00 0.00 0.00 46.02 46.11 1sx4 n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sx4 n SER 30 N -0.25 2.51 -1.94 1.61 7.64 -1.26 -4.87 113.62 117.07 1sx4 n SER 30 Ca 0.10 1.06 0.02 0.00 1.01 0.00 0.00 58.87 61.06 1sx4 n SER 30 Cb 0.43 -1.21 0.37 0.00 -1.01 0.00 0.00 64.21 62.78 1sx4 n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sx4 n ALA 31 N 4.99 4.17 -2.94 -0.43 0.00 -1.26 -4.91 120.51 120.13 1sx4 n ALA 31 Ca 0.24 -2.11 -0.07 0.00 0.00 0.00 0.00 53.44 51.50 1sx4 n ALA 31 Cb 0.18 -1.17 0.03 0.00 0.00 0.00 0.00 19.45 18.50 1sx4 n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 n ALA 32 N 0.30 -2.28 -3.24 0.00 0.00 -1.26 -5.09 120.51 108.93 1sx4 n ALA 32 Ca 0.33 0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.70 1sx4 n ALA 32 Cb 1.28 -3.39 -0.07 0.00 0.00 0.00 0.00 19.45 17.27 1sx4 n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 s ALA 33 N -3.19 -1.05 0.41 0.00 0.00 -1.26 -5.19 121.76 111.49 1sx4 s ALA 33 Ca 0.22 0.46 0.07 0.00 0.00 0.00 0.00 51.96 52.72 1sx4 s ALA 33 Cb -0.03 0.21 -0.06 0.00 0.00 0.00 0.00 23.12 23.24 1sx4 s ALA 33 CO 0.64 -0.38 0.15 0.21 0.00 0.00 0.00 175.76 176.38 1sx4 s LYS 34 N -1.91 2.18 0.29 0.00 2.47 -1.26 -4.43 119.74 117.08 1sx4 s LYS 34 Ca -0.09 -1.90 -0.10 0.00 -1.56 0.00 0.00 55.97 52.33 1sx4 s LYS 34 Cb -0.02 -1.92 -0.07 0.00 -1.46 0.00 0.00 37.83 34.36 1sx4 s LYS 34 CO 0.02 -0.11 0.63 0.45 0.16 0.00 0.00 175.35 176.50 1sx4 s SER 35 N -3.87 6.60 0.00 1.43 0.15 -1.26 -4.80 113.70 111.95 1sx4 s SER 35 Ca 0.40 1.00 0.12 0.00 0.70 0.00 0.00 55.95 58.17 1sx4 s SER 35 Cb 0.05 -2.26 0.03 0.00 -1.71 0.00 0.00 66.02 62.13 1sx4 s SER 35 CO 0.22 -0.19 0.75 0.35 1.20 0.00 0.00 173.24 175.57 1sx4 n THR 36 N -0.55 0.00 -2.71 6.45 -2.24 -1.26 -4.85 114.28 109.12 1sx4 n THR 36 Ca 0.01 -0.42 -0.28 0.00 -2.27 0.00 0.00 64.05 61.09 1sx4 n THR 36 Cb 0.53 1.17 -0.01 0.00 -2.10 0.00 0.00 70.33 69.92 1sx4 n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sx4 s ARG 37 N -1.36 3.61 -0.13 -0.78 3.00 -1.26 -1.40 118.95 120.62 1sx4 s ARG 37 Ca 0.11 0.27 -0.31 0.00 0.00 0.00 0.00 55.73 55.80 1sx4 s ARG 37 Cb 0.10 -2.39 0.13 0.00 0.00 0.00 0.00 34.95 32.79 1sx4 s ARG 37 CO 0.25 -0.15 1.04 0.20 0.00 0.00 0.00 175.30 176.64 1sx4 s GLY 38 N -3.83 -0.29 -0.16 -3.53 0.00 0.50 -2.50 107.32 97.51 1sx4 s GLY 38 Ca 0.48 1.75 -0.11 0.00 0.00 0.00 0.00 44.72 46.84 1sx4 s GLY 38 CO 0.41 0.76 0.19 1.85 0.00 0.00 0.00 173.10 176.31 1sx4 s GLU 39 N -1.88 4.02 -0.18 2.90 2.12 0.05 -0.12 118.70 125.60 1sx4 s GLU 39 Ca 0.03 -0.08 -0.29 0.00 0.36 0.00 0.00 54.97 54.99 1sx4 s GLU 39 Cb -0.01 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 31.03 1sx4 s GLU 39 CO -0.03 0.42 1.01 0.08 -0.54 0.00 0.00 175.26 176.20 1sx4 s VAL 40 N -0.02 4.73 -0.27 3.70 1.01 -0.37 0.34 120.40 129.52 1sx4 s VAL 40 Ca 0.13 2.01 -0.08 0.00 0.00 0.00 0.00 61.98 64.03 1sx4 s VAL 40 Cb -0.12 -4.30 -0.15 0.00 0.00 0.00 0.00 36.38 31.81 1sx4 s VAL 40 CO 0.02 -0.11 -0.27 0.18 0.00 0.00 0.00 175.10 174.93 1sx4 n LEU 41 N 5.81 2.35 -4.10 3.92 4.77 0.21 0.06 117.00 130.01 1sx4 n LEU 41 Ca 0.10 0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 56.17 1sx4 n LEU 41 Cb 0.47 -0.87 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1sx4 n LEU 41 CO 0.52 0.71 -0.32 0.00 -1.33 0.00 0.00 177.39 176.96 1sx4 s ALA 42 N -2.51 0.60 -0.02 -1.18 0.00 -0.55 -4.69 121.76 113.42 1sx4 s ALA 42 Ca -0.37 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.36 1sx4 s ALA 42 Cb 0.12 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 1sx4 s ALA 42 CO 0.54 -0.42 -0.14 0.08 0.00 0.00 0.00 175.76 175.82 1sx4 s VAL 43 N -3.97 1.12 0.37 0.00 1.01 -1.26 -0.69 120.40 116.98 1sx4 s VAL 43 Ca 0.13 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1sx4 s VAL 43 Cb 0.08 -0.95 -0.07 0.00 0.00 0.00 0.00 36.38 35.44 1sx4 s VAL 43 CO -0.06 0.32 0.73 -0.83 0.00 0.00 0.00 175.10 175.26 1sx4 s GLY 44 N -0.24 2.03 0.31 4.51 0.00 -0.99 -4.60 107.32 108.34 1sx4 s GLY 44 Ca 0.04 -0.19 0.05 0.00 0.00 0.00 0.00 44.72 44.62 1sx4 s GLY 44 CO -0.00 -0.01 1.62 3.43 0.00 0.00 0.00 173.10 178.14 1sx4 h ASN 45 N 1.57 -0.06 -4.02 1.64 2.35 -1.90 -3.38 115.58 111.79 1sx4 h ASN 45 Ca -0.47 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1sx4 h ASN 45 Cb 1.18 0.32 0.00 0.00 0.05 0.00 0.00 38.32 39.87 1sx4 h ASN 45 CO 0.65 -0.24 0.00 0.61 -1.65 0.00 0.00 177.43 176.79 1sx4 n GLY 46 N -1.39 4.44 3.50 2.83 0.00 -1.26 -4.06 105.19 109.25 1sx4 n GLY 46 Ca 0.25 -1.46 -0.54 0.00 0.00 0.00 0.00 46.02 44.26 1sx4 n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1sx4 n ARG 47 N -1.98 0.36 0.01 1.61 0.63 -1.18 -3.96 116.66 112.14 1sx4 n ARG 47 Ca 0.00 0.13 0.10 0.00 -0.92 0.00 0.00 57.85 57.16 1sx4 n ARG 47 Cb 0.00 -1.53 -0.14 0.00 0.45 0.00 0.00 32.46 31.24 1sx4 n ARG 47 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1sx4 n ILE 48 N 1.27 0.16 -0.78 5.15 5.41 -1.26 -2.58 119.36 126.73 1sx4 n ILE 48 Ca 0.18 -0.52 -0.26 0.00 1.00 0.00 0.00 62.75 63.15 1sx4 n ILE 48 Cb 0.16 -0.08 -0.01 0.00 -0.71 0.00 0.00 39.64 39.00 1sx4 n ILE 48 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1sx4 n LEU 49 N -2.35 -1.02 -1.88 1.39 4.77 -1.26 -3.48 117.00 113.16 1sx4 n LEU 49 Ca -0.04 0.58 -0.12 0.00 -0.03 0.00 0.00 56.01 56.40 1sx4 n LEU 49 Cb 0.58 -0.53 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1sx4 n LEU 49 CO 0.45 -1.94 0.05 1.21 -1.33 0.00 0.00 177.39 175.83 1sx4 n GLU 50 N 0.63 -3.22 0.00 3.23 2.13 -1.26 -4.76 120.64 117.39 1sx4 n GLU 50 Ca 0.09 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.38 1sx4 n GLU 50 Cb 0.17 -4.42 0.00 0.00 0.27 0.00 0.00 31.44 27.46 1sx4 n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1sx4 n ASN 51 N -0.67 0.00 -3.00 4.31 5.15 -1.23 -4.82 115.26 115.00 1sx4 n ASN 51 Ca -0.04 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.64 1sx4 n ASN 51 Cb 0.55 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.71 1sx4 n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sx4 n GLY 52 N 0.00 -0.29 0.51 8.20 0.00 -1.26 -4.61 105.19 107.73 1sx4 n GLY 52 Ca 0.00 0.78 0.07 0.00 0.00 0.00 0.00 46.02 46.87 1sx4 n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sx4 n GLU 53 N 5.60 -1.02 -3.42 1.61 4.71 -1.26 -4.96 120.64 121.91 1sx4 n GLU 53 Ca 0.43 0.68 -0.17 0.00 -0.01 0.00 0.00 57.16 58.09 1sx4 n GLU 53 Cb 0.01 -1.24 -0.10 0.00 -1.01 0.00 0.00 31.44 29.09 1sx4 n GLU 53 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1sx4 s VAL 54 N -1.47 -0.40 0.24 2.62 1.01 -1.26 -4.80 120.40 116.34 1sx4 s VAL 54 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 1sx4 s VAL 54 Cb 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.41 1sx4 s VAL 54 CO 0.00 -0.36 0.99 -1.59 0.00 0.00 0.00 175.10 174.14 1sx4 s LYS 55 N 2.37 4.78 1.25 2.72 0.00 -1.07 -4.92 119.74 124.88 1sx4 s LYS 55 Ca 0.09 1.58 -0.18 0.00 0.00 0.00 0.00 55.97 57.46 1sx4 s LYS 55 Cb -0.15 -3.26 0.31 0.00 0.00 0.00 0.00 37.83 34.73 1sx4 s LYS 55 CO -0.25 0.41 1.02 -1.25 0.00 0.00 0.00 175.35 175.28 1sx4 s PRO 56 N -1.17 -1.60 0.21 1.78 0.04 -1.26 -3.10 135.00 129.90 1sx4 s PRO 56 Ca 0.42 0.28 0.01 0.00 0.04 0.00 0.00 61.00 61.75 1sx4 s PRO 56 Cb -0.28 -1.52 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1sx4 s PRO 56 CO 0.34 -4.04 0.39 -0.51 0.04 0.00 0.00 177.00 173.22 1sx4 s LEU 57 N -7.29 4.23 0.00 -3.56 1.43 -1.26 -4.75 118.68 107.49 1sx4 s LEU 57 Ca 0.69 0.33 0.19 0.00 -1.03 0.00 0.00 54.13 54.31 1sx4 s LEU 57 Cb -0.16 -3.11 0.51 0.00 0.03 0.00 0.00 46.19 43.47 1sx4 s LEU 57 CO 0.59 -0.06 1.43 0.47 0.23 0.00 0.00 176.35 179.01 1sx4 n ASP 58 N -0.83 2.92 -4.41 2.29 9.92 -1.26 -4.82 116.55 120.36 1sx4 n ASP 58 Ca -0.06 -1.97 -0.33 0.00 -0.53 0.00 0.00 54.79 51.91 1sx4 n ASP 58 Cb 0.54 -0.33 -0.14 0.00 -0.64 0.00 0.00 41.12 40.56 1sx4 n ASP 58 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1sx4 s VAL 59 N -1.34 3.16 0.33 2.53 -7.23 -1.26 -5.13 120.40 111.45 1sx4 s VAL 59 Ca 0.37 -0.64 0.06 0.00 -1.81 0.00 0.00 61.98 59.96 1sx4 s VAL 59 Cb 0.20 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 1sx4 s VAL 59 CO 0.26 0.54 0.47 -1.59 -0.31 0.00 0.00 175.10 174.47 1sx4 s LYS 60 N 0.11 3.17 -0.30 4.82 -2.85 -1.26 -4.94 119.74 118.50 1sx4 s LYS 60 Ca -0.06 -0.91 -0.28 0.00 -1.00 0.00 0.00 55.97 53.73 1sx4 s LYS 60 Cb -0.15 -2.80 -0.04 0.00 -2.06 0.00 0.00 37.83 32.78 1sx4 s LYS 60 CO 0.04 0.09 2.12 0.08 0.10 0.00 0.00 175.35 177.78 1sx4 s VAL 61 N -2.18 3.15 0.00 1.79 1.01 -1.26 -2.50 120.40 120.40 1sx4 s VAL 61 Ca 0.43 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1sx4 s VAL 61 Cb -0.09 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1sx4 s VAL 61 CO 0.31 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1sx4 n GLY 62 N 5.70 1.02 3.77 4.51 0.00 0.11 -5.01 105.19 115.30 1sx4 n GLY 62 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 1sx4 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sx4 s ASP 63 N -1.91 4.84 -0.21 1.61 1.01 -1.04 -4.69 116.67 116.28 1sx4 s ASP 63 Ca 0.00 1.89 -0.08 0.00 0.71 0.00 0.00 52.55 55.07 1sx4 s ASP 63 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1sx4 s ASP 63 CO 0.00 -1.81 0.09 -0.63 0.21 0.00 0.00 175.17 173.03 1sx4 s ILE 64 N -2.65 4.94 0.01 0.77 1.01 -1.26 -1.23 121.20 122.79 1sx4 s ILE 64 Ca 0.64 0.03 0.03 0.00 0.00 0.00 0.00 60.65 61.35 1sx4 s ILE 64 Cb -0.18 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 1sx4 s ILE 64 CO 0.49 0.42 -0.10 0.68 0.00 0.00 0.00 174.94 176.42 1sx4 s VAL 65 N 0.68 0.80 -0.30 2.92 -7.23 0.84 -1.58 120.40 116.51 1sx4 s VAL 65 Ca 0.05 -0.65 -0.15 0.00 -1.81 0.00 0.00 61.98 59.42 1sx4 s VAL 65 Cb -0.13 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 36.08 1sx4 s VAL 65 CO 0.01 0.06 0.38 -0.63 -0.31 0.00 0.00 175.10 174.62 1sx4 s ILE 66 N -0.55 5.15 0.45 -0.62 1.01 -1.03 -0.37 121.20 125.24 1sx4 s ILE 66 Ca 0.01 0.39 0.07 0.00 0.00 0.00 0.00 60.65 61.12 1sx4 s ILE 66 Cb -0.06 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1sx4 s ILE 66 CO 0.00 0.04 0.29 0.72 0.00 0.00 0.00 174.94 176.00 1sx4 s PHE 67 N 2.09 2.41 -0.46 3.97 -0.12 -0.50 -1.90 117.98 123.49 1sx4 s PHE 67 Ca 0.14 -0.62 -0.16 0.00 -0.05 0.00 0.00 56.93 56.24 1sx4 s PHE 67 Cb -0.16 -2.02 0.05 0.00 -0.63 0.00 0.00 43.02 40.27 1sx4 s PHE 67 CO 0.11 -0.06 0.42 1.21 -0.05 0.00 0.00 175.22 176.84 1sx4 s ASN 68 N -4.06 6.16 -0.43 1.98 3.84 -0.01 -4.85 114.94 117.56 1sx4 s ASN 68 Ca 0.41 -1.08 -0.28 0.00 0.21 0.00 0.00 52.86 52.12 1sx4 s ASN 68 Cb 0.00 -2.20 0.00 0.00 -0.55 0.00 0.00 41.25 38.50 1sx4 s ASN 68 CO 0.24 -0.63 1.51 -0.62 -2.79 0.00 0.00 177.10 174.80 1sx4 s ASP 69 N 2.31 6.15 0.00 -4.21 -1.08 -1.26 -4.89 116.67 113.69 1sx4 s ASP 69 Ca 0.07 0.79 0.00 0.00 -0.52 0.00 0.00 52.55 52.90 1sx4 s ASP 69 Cb -0.21 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 1sx4 s ASP 69 CO 0.09 -1.59 0.00 0.61 0.52 0.00 0.00 175.17 174.80 1sx4 n GLY 70 N 5.22 3.65 0.28 2.66 0.00 -1.26 -5.05 105.19 110.68 1sx4 n GLY 70 Ca 0.17 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.43 1sx4 n GLY 70 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1sx4 h TYR 71 N 0.00 0.43 0.00 1.61 3.20 -2.04 -2.92 116.97 117.24 1sx4 h TYR 71 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1sx4 h TYR 71 Cb 0.00 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.14 1sx4 h TYR 71 CO 0.00 0.39 0.04 0.78 -1.64 0.00 0.00 178.16 177.73 1sx4 h GLY 72 N 0.66 0.00 -5.44 1.82 0.00 -1.96 -3.43 103.07 94.72 1sx4 h GLY 72 Ca 0.10 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.78 1sx4 h GLY 72 CO -0.00 0.00 -0.40 0.14 0.00 0.00 0.00 176.54 176.28 1sx4 s VAL 73 N -4.07 5.37 0.14 4.60 1.01 -1.11 -4.47 120.40 121.87 1sx4 s VAL 73 Ca -0.04 0.38 0.08 0.00 0.00 0.00 0.00 61.98 62.39 1sx4 s VAL 73 Cb 0.12 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1sx4 s VAL 73 CO 0.37 0.60 -0.18 -0.54 0.00 0.00 0.00 175.10 175.35 1sx4 s LYS 74 N -1.07 1.17 -0.22 2.72 -0.14 -0.89 -4.94 119.74 116.36 1sx4 s LYS 74 Ca 0.18 -1.31 -0.09 0.00 -1.36 0.00 0.00 55.97 53.39 1sx4 s LYS 74 Cb -0.13 -1.22 -0.04 0.00 -1.68 0.00 0.00 37.83 34.75 1sx4 s LYS 74 CO 0.07 0.25 0.12 0.45 -0.76 0.00 0.00 175.35 175.48 1sx4 s SER 75 N -2.45 5.85 0.31 2.83 0.15 -1.26 -1.51 113.70 117.61 1sx4 s SER 75 Ca 0.12 0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.88 1sx4 s SER 75 Cb -0.06 -2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 62.17 1sx4 s SER 75 CO 0.05 0.09 0.21 -1.61 1.20 0.00 0.00 173.24 173.18 1sx4 s GLU 76 N 0.90 1.63 -0.11 5.44 0.41 -0.69 -5.05 118.70 121.24 1sx4 s GLU 76 Ca 0.06 -1.93 -0.01 0.00 -0.41 0.00 0.00 54.97 52.68 1sx4 s GLU 76 Cb -0.13 0.15 0.03 0.00 -1.78 0.00 0.00 34.13 32.40 1sx4 s GLU 76 CO 0.03 -0.54 -0.02 0.21 -0.49 0.00 0.00 175.26 174.45 1sx4 s LYS 77 N -3.69 0.95 -0.22 1.61 2.47 -1.26 -2.70 119.74 116.91 1sx4 s LYS 77 Ca 0.38 -0.12 0.01 0.00 -1.56 0.00 0.00 55.97 54.68 1sx4 s LYS 77 Cb 0.04 -1.39 0.05 0.00 -1.46 0.00 0.00 37.83 35.06 1sx4 s LYS 77 CO 0.21 -0.35 -0.11 0.42 0.16 0.00 0.00 175.35 175.68 1sx4 s ILE 78 N 1.85 1.82 -0.70 5.43 1.09 -1.13 -4.61 121.20 124.94 1sx4 s ILE 78 Ca 0.04 -1.18 0.00 0.00 -1.10 0.00 0.00 60.65 58.41 1sx4 s ILE 78 Cb -0.13 -1.89 0.00 0.00 -1.06 0.00 0.00 42.46 39.38 1sx4 s ILE 78 CO -0.07 0.14 0.00 0.47 -0.10 0.00 0.00 174.94 175.39 1sx4 n ASP 79 N 4.61 -5.79 -1.34 3.58 8.00 -1.26 -2.41 116.55 121.94 1sx4 n ASP 79 Ca -0.15 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1sx4 n ASP 79 Cb 0.46 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.68 1sx4 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1sx4 n ASN 80 N -1.09 -1.99 -3.84 -2.24 2.85 -1.26 -5.13 115.26 102.56 1sx4 n ASN 80 Ca -0.07 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.28 1sx4 n ASN 80 Cb 0.55 -0.50 -0.14 0.00 1.24 0.00 0.00 39.78 40.94 1sx4 n ASN 80 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1sx4 s GLU 81 N -3.31 0.07 -0.64 1.20 8.01 -1.01 -5.12 118.70 117.90 1sx4 s GLU 81 Ca 0.00 0.11 -0.27 0.00 0.01 0.00 0.00 54.97 54.82 1sx4 s GLU 81 Cb 0.00 0.00 0.01 0.00 -4.31 0.00 0.00 34.13 29.84 1sx4 s GLU 81 CO 0.00 -0.03 1.44 -1.21 0.01 0.00 0.00 175.26 175.47 1sx4 s GLU 82 N 0.18 3.15 0.09 1.61 0.41 -1.26 -2.84 118.70 120.04 1sx4 s GLU 82 Ca -0.01 0.22 0.10 0.00 -0.41 0.00 0.00 54.97 54.87 1sx4 s GLU 82 Cb -0.02 -4.19 -0.03 0.00 -1.78 0.00 0.00 34.13 28.11 1sx4 s GLU 82 CO -0.01 -2.15 -0.25 0.14 -0.49 0.00 0.00 175.26 172.51 1sx4 s VAL 83 N 6.44 2.05 0.15 2.63 -7.23 -1.10 -4.23 120.40 119.11 1sx4 s VAL 83 Ca 0.48 -1.55 0.10 0.00 -1.81 0.00 0.00 61.98 59.21 1sx4 s VAL 83 Cb -0.10 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 1sx4 s VAL 83 CO 0.21 0.15 -0.22 -0.76 -0.31 0.00 0.00 175.10 174.17 1sx4 s LEU 84 N -1.71 2.54 -0.39 1.32 1.02 0.11 -1.70 118.68 119.87 1sx4 s LEU 84 Ca 0.11 -0.71 0.01 0.00 0.02 0.00 0.00 54.13 53.56 1sx4 s LEU 84 Cb -0.10 -1.34 0.12 0.00 0.02 0.00 0.00 46.19 44.89 1sx4 s LEU 84 CO 0.04 0.15 0.17 -0.63 0.02 0.00 0.00 176.35 176.10 1sx4 s ILE 85 N -1.35 1.36 0.40 -0.59 1.01 -0.57 -0.54 121.20 120.91 1sx4 s ILE 85 Ca 0.18 -2.16 0.07 0.00 0.00 0.00 0.00 60.65 58.74 1sx4 s ILE 85 Cb -0.09 -1.98 -0.08 0.00 0.01 0.00 0.00 42.46 40.32 1sx4 s ILE 85 CO 0.09 -0.78 0.01 0.00 0.00 0.00 0.00 174.94 174.26 1sx4 s MET 86 N 0.83 1.92 0.53 2.79 0.23 -1.03 -2.10 119.30 122.46 1sx4 s MET 86 Ca 0.14 -2.08 -0.04 0.00 -1.03 0.00 0.00 55.69 52.68 1sx4 s MET 86 Cb -0.22 -1.54 -0.01 0.00 -1.53 0.00 0.00 34.83 31.54 1sx4 s MET 86 CO -0.09 -0.06 0.81 -1.54 -2.03 0.00 0.00 175.02 172.11 1sx4 s SER 87 N -3.68 5.82 0.53 -1.18 1.04 -1.26 0.25 113.70 115.22 1sx4 s SER 87 Ca 0.35 0.66 0.24 0.00 0.48 0.00 0.00 55.95 57.68 1sx4 s SER 87 Cb 0.10 -1.80 1.39 0.00 0.10 0.00 0.00 66.02 65.81 1sx4 s SER 87 CO 0.18 -0.85 2.04 -0.08 0.98 0.00 0.00 173.24 175.50 1sx4 h GLU 88 N 0.07 0.00 -0.59 4.02 4.81 -1.86 0.19 114.58 121.22 1sx4 h GLU 88 Ca -0.46 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 58.94 1sx4 h GLU 88 Cb 1.24 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 1sx4 h GLU 88 CO 0.60 0.00 0.58 0.77 -0.73 0.00 0.00 179.01 180.23 1sx4 h SER 89 N 0.00 0.00 0.39 1.04 0.02 -1.93 0.33 113.55 113.41 1sx4 h SER 89 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1sx4 h SER 89 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1sx4 h SER 89 CO -0.00 0.00 -1.28 0.47 -1.14 0.00 0.00 176.83 174.88 1sx4 n ASP 90 N -3.77 0.52 -4.69 3.07 8.00 0.66 -4.87 116.55 115.47 1sx4 n ASP 90 Ca 0.12 -0.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.09 1sx4 n ASP 90 Cb 0.80 1.06 -0.03 0.00 -0.02 0.00 0.00 41.12 42.93 1sx4 n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sx4 s ILE 91 N -3.30 4.82 -0.26 0.53 1.01 0.12 -0.83 121.20 123.29 1sx4 s ILE 91 Ca 0.00 2.00 -0.04 0.00 0.00 0.00 0.00 60.65 62.60 1sx4 s ILE 91 Cb 0.13 -4.29 -0.14 0.00 0.01 0.00 0.00 42.46 38.17 1sx4 s ILE 91 CO 0.83 0.05 -0.27 0.18 0.00 0.00 0.00 174.94 175.74 1sx4 n LEU 92 N 4.70 2.54 -3.93 2.97 4.77 -0.80 -4.97 117.00 122.28 1sx4 n LEU 92 Ca 0.07 0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1sx4 n LEU 92 Cb 0.49 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1sx4 n LEU 92 CO 0.52 0.78 0.32 0.00 -1.33 0.00 0.00 177.39 177.67 1sx4 s ALA 93 N -2.49 -0.59 -0.13 -1.18 0.00 -1.09 -5.03 121.76 111.24 1sx4 s ALA 93 Ca -0.35 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 50.93 1sx4 s ALA 93 Cb 0.11 0.96 0.02 0.00 0.00 0.00 0.00 23.12 24.20 1sx4 s ALA 93 CO 0.53 -0.93 -0.17 0.42 0.00 0.00 0.00 175.76 175.61 1sx4 s ILE 94 N -3.76 1.70 -0.25 0.00 1.01 -1.26 -2.45 121.20 116.19 1sx4 s ILE 94 Ca 0.18 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 1sx4 s ILE 94 Cb -0.03 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.91 1sx4 s ILE 94 CO 0.09 0.48 1.08 -0.69 0.00 0.00 0.00 174.94 175.91 1sx4 s VAL 95 N 1.05 4.57 0.00 2.92 1.01 -0.62 -4.98 120.40 124.35 1sx4 s VAL 95 Ca -0.04 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.82 1sx4 s VAL 95 Cb -0.15 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.94 1sx4 s VAL 95 CO -0.04 -0.26 0.00 -0.62 0.00 0.00 0.00 175.10 174.18 1sx4 n GLU 96 N 6.53 2.81 -0.16 2.72 1.02 -1.26 -4.46 120.64 127.83 1sx4 n GLU 96 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1sx4 n GLU 96 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 1sx4 n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31