#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 5.21 0.24 3.17 4.22 -1.26 -4.68 114.94 121.84 1sx4 s ASN 2 Ca 0.00 -0.65 0.07 0.00 -2.14 0.00 0.00 52.86 50.14 1sx4 s ASN 2 Cb 0.00 -0.06 -0.04 0.00 1.28 0.00 0.00 41.25 42.44 1sx4 s ASN 2 CO 0.00 -1.20 0.12 -0.63 -2.04 0.00 0.00 177.10 173.35 1sx4 s ILE 3 N -2.62 4.15 -0.32 0.54 1.09 -1.26 -5.11 121.20 117.67 1sx4 s ILE 3 Ca 0.60 -1.48 -0.02 0.00 -1.10 0.00 0.00 60.65 58.65 1sx4 s ILE 3 Cb -0.07 -3.20 0.12 0.00 -1.06 0.00 0.00 42.46 38.24 1sx4 s ILE 3 CO 0.38 -0.30 0.17 -0.60 -0.10 0.00 0.00 174.94 174.49 1sx4 s ARG 4 N -3.61 0.41 0.39 2.79 6.06 -1.26 -4.95 118.95 118.77 1sx4 s ARG 4 Ca 0.32 -0.96 -0.26 0.00 -2.50 0.00 0.00 55.73 52.32 1sx4 s ARG 4 Cb -0.08 -1.29 -0.09 0.00 0.06 0.00 0.00 34.95 33.55 1sx4 s ARG 4 CO 0.23 -1.11 1.21 -1.25 -2.50 0.00 0.00 175.30 171.87 1sx4 s PRO 5 N 1.56 4.11 -0.19 5.12 0.04 -1.26 -4.95 135.00 139.42 1sx4 s PRO 5 Ca 0.13 1.94 -0.27 0.00 0.04 0.00 0.00 61.00 62.85 1sx4 s PRO 5 Cb -0.20 -2.77 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 1sx4 s PRO 5 CO -0.18 -0.30 0.90 -0.51 0.04 0.00 0.00 177.00 176.95 1sx4 s LEU 6 N -2.33 4.14 0.00 -3.56 2.01 -1.26 -4.15 118.68 113.53 1sx4 s LEU 6 Ca 0.55 1.24 0.00 0.00 0.01 0.00 0.00 54.13 55.93 1sx4 s LEU 6 Cb -0.33 -3.34 0.00 0.00 0.01 0.00 0.00 46.19 42.53 1sx4 s LEU 6 CO 0.42 -0.50 0.00 0.00 1.01 0.00 0.00 176.35 177.29 1sx4 n HIS 7 N 5.64 0.00 0.00 0.29 1.44 -1.26 -2.20 115.22 119.13 1sx4 n HIS 7 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1sx4 n HIS 7 Cb 0.48 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.59 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 0.71 0.00 -4.77 4.39 2.03 -1.26 -4.57 116.55 113.08 1sx4 n ASP 8 Ca 0.00 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.92 1sx4 n ASP 8 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.00 4.10 -0.05 -0.67 1.81 -0.93 -2.56 118.95 120.65 1sx4 s ARG 9 Ca 0.00 1.88 0.05 0.00 -1.72 0.00 0.00 55.73 55.94 1sx4 s ARG 9 Cb 0.00 -2.73 -0.01 0.00 -0.45 0.00 0.00 34.95 31.76 1sx4 s ARG 9 CO 0.00 -0.29 -0.21 0.08 -0.68 0.00 0.00 175.30 174.19 1sx4 s VAL 10 N -1.37 1.76 -0.32 3.52 1.01 0.29 -2.59 120.40 122.70 1sx4 s VAL 10 Ca 0.56 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 1sx4 s VAL 10 Cb -0.32 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1sx4 s VAL 10 CO 0.40 0.50 0.18 -0.63 0.00 0.00 0.00 175.10 175.55 1sx4 s ILE 11 N -0.11 4.89 0.22 2.22 1.01 -0.13 -2.11 121.20 127.18 1sx4 s ILE 11 Ca -0.03 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1sx4 s ILE 11 Cb -0.12 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 1sx4 s ILE 11 CO 0.03 0.07 -0.09 0.68 0.00 0.00 0.00 174.94 175.63 1sx4 s VAL 12 N 1.66 1.48 -0.03 2.92 -7.23 0.15 0.15 120.40 119.51 1sx4 s VAL 12 Ca 0.05 -2.13 0.06 0.00 -1.81 0.00 0.00 61.98 58.16 1sx4 s VAL 12 Cb -0.17 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 1sx4 s VAL 12 CO 0.08 -0.49 -0.21 -1.59 -0.31 0.00 0.00 175.10 172.58 1sx4 s LYS 13 N -3.73 1.84 0.74 4.82 -2.85 0.18 -0.02 119.74 120.72 1sx4 s LYS 13 Ca 0.25 -0.76 -0.11 0.00 -1.00 0.00 0.00 55.97 54.35 1sx4 s LYS 13 Cb 0.02 -1.71 0.04 0.00 -2.06 0.00 0.00 37.83 34.11 1sx4 s LYS 13 CO 0.07 0.42 1.07 0.50 0.10 0.00 0.00 175.35 177.52 1sx4 s ARG 14 N -0.38 2.55 0.00 1.78 3.52 -1.26 -0.72 118.95 124.44 1sx4 s ARG 14 Ca 0.05 0.91 0.00 0.00 -0.13 0.00 0.00 55.73 56.56 1sx4 s ARG 14 Cb -0.09 -1.95 0.00 0.00 -1.56 0.00 0.00 34.95 31.35 1sx4 s ARG 14 CO 0.00 -1.36 0.00 1.63 -0.81 0.00 0.00 175.30 174.76 1sx4 n LYS 15 N -3.30 2.88 -2.17 5.12 5.02 -1.06 -4.80 118.16 119.84 1sx4 n LYS 15 Ca 0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 1sx4 n LYS 15 Cb 0.54 0.00 -0.02 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 -0.34 3.98 -0.06 1.97 0.41 -1.26 -4.58 118.70 118.83 1sx4 s GLU 16 Ca 0.00 1.76 -0.05 0.00 -0.41 0.00 0.00 54.97 56.27 1sx4 s GLU 16 Cb 0.00 -3.96 -0.05 0.00 -1.78 0.00 0.00 34.13 28.34 1sx4 s GLU 16 CO 0.00 -1.06 0.84 0.28 -0.49 0.00 0.00 175.26 174.83 1sx4 n VAL 17 N 5.97 0.00 -2.77 2.63 0.31 -1.26 -3.02 118.33 120.18 1sx4 n VAL 17 Ca 0.17 -0.42 -0.02 0.00 -0.01 0.00 0.00 64.34 64.06 1sx4 n VAL 17 Cb 0.45 -0.32 0.01 0.00 -0.91 0.00 0.00 33.84 33.07 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 4.50 -1.20 -1.58 5.55 1.02 -1.26 -4.86 120.64 122.82 1sx4 n GLU 18 Ca 0.07 1.18 -0.55 0.00 -0.02 0.00 0.00 57.16 57.84 1sx4 n GLU 18 Cb 0.35 -4.92 -0.08 0.00 -0.02 0.00 0.00 31.44 26.78 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 -1.86 0.25 -1.83 2.62 -1.04 -1.17 -4.73 114.28 106.52 1sx4 n THR 19 Ca -0.01 -0.12 -0.21 0.00 -2.04 0.00 0.00 64.05 61.67 1sx4 n THR 19 Cb 0.52 -1.32 -0.07 0.00 -1.82 0.00 0.00 70.33 67.64 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 4.72 2.02 0.00 -2.82 3.01 -1.26 -3.64 119.74 121.77 1sx4 s LYS 20 Ca 1.04 -0.22 0.00 0.00 -1.01 0.00 0.00 55.97 55.78 1sx4 s LYS 20 Cb -1.03 -4.99 0.00 0.00 -1.01 0.00 0.00 37.83 30.79 1sx4 s LYS 20 CO 0.60 -4.17 0.00 -1.13 0.51 0.00 0.00 175.35 171.16 1sx4 n SER 21 N 16.46 0.00 -4.45 2.83 3.41 -1.25 -4.63 113.62 125.99 1sx4 n SER 21 Ca 0.43 0.00 -0.53 0.00 -0.26 0.00 0.00 58.87 58.52 1sx4 n SER 21 Cb 0.46 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.90 -3.16 0.00 7.33 0.00 -1.24 -1.31 120.51 121.23 1sx4 n ALA 22 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1sx4 n ALA 22 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 1.78 2.69 0.00 0.00 0.00 -1.26 -4.57 105.19 103.82 1sx4 n GLY 23 Ca 0.19 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.25 0.20 -0.02 0.00 -0.43 -4.90 105.19 99.79 1sx4 n GLY 24 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.66 -3.26 -0.61 2.04 -1.88 -3.45 117.51 111.01 1sx4 h ILE 25 Ca 0.00 -1.41 -0.58 0.00 1.00 0.00 0.00 64.86 63.87 1sx4 h ILE 25 Cb 0.00 1.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 1sx4 h ILE 25 CO 0.00 0.30 0.48 -0.69 0.00 0.00 0.00 178.15 178.24 1sx4 s VAL 26 N -3.49 4.83 -1.33 1.67 1.01 -1.26 -4.95 120.40 116.89 1sx4 s VAL 26 Ca 0.01 1.74 -0.12 0.00 0.00 0.00 0.00 61.98 63.62 1sx4 s VAL 26 Cb 0.10 -4.18 0.12 0.00 0.00 0.00 0.00 36.38 32.41 1sx4 s VAL 26 CO 0.67 -0.02 1.93 0.18 0.00 0.00 0.00 175.10 177.86 1sx4 n LEU 27 N 5.44 6.45 -4.47 3.92 4.32 -1.26 -3.97 117.00 127.44 1sx4 n LEU 27 Ca 0.06 -4.42 -0.44 0.00 -0.02 0.00 0.00 56.01 51.19 1sx4 n LEU 27 Cb 0.48 -1.57 -0.13 0.00 -1.62 0.00 0.00 43.42 40.58 1sx4 n LEU 27 CO 0.49 1.14 2.12 1.07 -1.22 0.00 0.00 177.39 181.00 1sx4 n THR 28 N 4.22 -0.00 -1.66 -5.08 5.66 -1.26 -4.85 114.28 111.31 1sx4 n THR 28 Ca 0.44 -0.08 -0.40 0.00 -3.05 0.00 0.00 64.05 60.95 1sx4 n THR 28 Cb 0.38 -0.76 0.02 0.00 -1.55 0.00 0.00 70.33 68.43 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 6.60 0.16 3.71 1.09 0.00 -1.26 -4.67 105.19 110.82 1sx4 n GLY 29 Ca 0.61 0.10 -0.57 0.00 0.00 0.00 0.00 46.02 46.17 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 0.03 2.52 -1.90 1.61 7.64 -1.26 -4.87 113.62 117.39 1sx4 n SER 30 Ca 0.09 1.06 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1sx4 n SER 30 Cb 0.41 -1.17 0.34 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 5.56 4.18 -2.90 -0.43 0.00 -1.26 -4.91 120.51 120.75 1sx4 n ALA 31 Ca 0.26 -2.02 -0.06 0.00 0.00 0.00 0.00 53.44 51.62 1sx4 n ALA 31 Cb 0.15 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.44 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 0.23 -2.27 -3.25 0.00 0.00 -1.26 -5.10 120.51 108.86 1sx4 n ALA 32 Ca 0.33 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.69 1sx4 n ALA 32 Cb 1.25 -3.04 -0.07 0.00 0.00 0.00 0.00 19.45 17.59 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 -3.16 -1.08 0.38 0.00 0.00 -1.26 -5.19 121.76 111.45 1sx4 s ALA 33 Ca 0.18 0.49 0.08 0.00 0.00 0.00 0.00 51.96 52.72 1sx4 s ALA 33 Cb -0.02 0.21 -0.06 0.00 0.00 0.00 0.00 23.12 23.25 1sx4 s ALA 33 CO 0.63 -0.38 0.08 0.21 0.00 0.00 0.00 175.76 176.29 1sx4 s LYS 34 N -1.91 2.12 0.24 0.00 2.47 -1.26 -4.43 119.74 116.97 1sx4 s LYS 34 Ca -0.09 -1.84 -0.12 0.00 -1.56 0.00 0.00 55.97 52.37 1sx4 s LYS 34 Cb -0.02 -1.90 -0.08 0.00 -1.46 0.00 0.00 37.83 34.37 1sx4 s LYS 34 CO 0.02 0.01 0.59 0.45 0.16 0.00 0.00 175.35 176.58 1sx4 s SER 35 N -3.79 6.69 0.00 1.43 0.15 -1.26 -4.83 113.70 112.09 1sx4 s SER 35 Ca 0.37 1.02 0.10 0.00 0.70 0.00 0.00 55.95 58.14 1sx4 s SER 35 Cb 0.03 -2.27 0.07 0.00 -1.71 0.00 0.00 66.02 62.15 1sx4 s SER 35 CO 0.20 -0.07 0.80 0.35 1.20 0.00 0.00 173.24 175.72 1sx4 n THR 36 N -0.04 0.00 -2.98 6.45 -2.24 -1.26 -4.82 114.28 109.38 1sx4 n THR 36 Ca 0.00 -0.50 -0.27 0.00 -2.27 0.00 0.00 64.05 61.02 1sx4 n THR 36 Cb 0.52 1.20 -0.01 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.80 3.56 -0.15 -0.78 3.00 -1.26 -1.34 118.95 121.18 1sx4 s ARG 37 Ca 0.11 0.04 -0.31 0.00 0.00 0.00 0.00 55.73 55.57 1sx4 s ARG 37 Cb 0.08 -2.50 0.13 0.00 0.00 0.00 0.00 34.95 32.66 1sx4 s ARG 37 CO 0.12 -0.02 1.05 0.20 0.00 0.00 0.00 175.30 176.65 1sx4 s GLY 38 N -3.85 -0.27 -0.17 -3.53 0.00 -0.14 -2.57 107.32 96.79 1sx4 s GLY 38 Ca 0.45 1.84 -0.11 0.00 0.00 0.00 0.00 44.72 46.90 1sx4 s GLY 38 CO 0.39 0.81 0.20 1.85 0.00 0.00 0.00 173.10 176.35 1sx4 s GLU 39 N -1.74 4.11 -0.17 2.90 2.12 0.10 -0.38 118.70 125.64 1sx4 s GLU 39 Ca 0.03 -0.07 -0.28 0.00 0.36 0.00 0.00 54.97 55.01 1sx4 s GLU 39 Cb -0.01 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.99 1sx4 s GLU 39 CO -0.03 0.35 0.97 0.08 -0.54 0.00 0.00 175.26 176.10 1sx4 s VAL 40 N 0.17 4.77 -0.26 3.70 1.01 -0.51 0.50 120.40 129.78 1sx4 s VAL 40 Ca 0.13 1.93 -0.07 0.00 0.00 0.00 0.00 61.98 63.97 1sx4 s VAL 40 Cb -0.12 -4.27 -0.15 0.00 0.00 0.00 0.00 36.38 31.85 1sx4 s VAL 40 CO 0.02 -0.05 -0.27 0.18 0.00 0.00 0.00 175.10 174.98 1sx4 n LEU 41 N 5.52 2.42 -4.09 3.92 4.77 0.40 -0.18 117.00 129.76 1sx4 n LEU 41 Ca 0.09 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.10 1sx4 n LEU 41 Cb 0.48 -0.87 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 1sx4 n LEU 41 CO 0.51 0.74 -0.25 0.00 -1.33 0.00 0.00 177.39 177.05 1sx4 s ALA 42 N -2.51 0.60 -0.00 -1.18 0.00 -0.63 -4.68 121.76 113.36 1sx4 s ALA 42 Ca -0.36 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.34 1sx4 s ALA 42 Cb 0.12 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 1sx4 s ALA 42 CO 0.55 -0.49 -0.09 0.08 0.00 0.00 0.00 175.76 175.81 1sx4 s VAL 43 N -4.00 0.71 0.29 0.00 1.01 -1.26 -0.96 120.40 116.18 1sx4 s VAL 43 Ca 0.19 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 1sx4 s VAL 43 Cb 0.07 -0.60 -0.06 0.00 0.00 0.00 0.00 36.38 35.78 1sx4 s VAL 43 CO -0.01 0.17 0.60 -0.83 0.00 0.00 0.00 175.10 175.03 1sx4 s GLY 44 N -0.28 2.03 0.32 4.51 0.00 -1.07 -4.63 107.32 108.19 1sx4 s GLY 44 Ca 0.03 -0.38 0.05 0.00 0.00 0.00 0.00 44.72 44.42 1sx4 s GLY 44 CO -0.00 -0.24 1.58 3.43 0.00 0.00 0.00 173.10 177.86 1sx4 h ASN 45 N 1.91 -0.32 -4.07 1.64 2.35 -1.90 -3.37 115.58 111.82 1sx4 h ASN 45 Ca -0.47 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1sx4 h ASN 45 Cb 1.18 0.44 0.00 0.00 0.05 0.00 0.00 38.32 39.99 1sx4 h ASN 45 CO 0.67 -0.35 0.00 0.61 -1.65 0.00 0.00 177.43 176.70 1sx4 n GLY 46 N -1.45 4.33 3.63 2.83 0.00 -1.26 -4.10 105.19 109.17 1sx4 n GLY 46 Ca 0.25 -1.53 -0.46 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.93 1.66 0.03 1.61 0.63 -1.09 -3.99 116.66 113.58 1sx4 n ARG 47 Ca 0.00 0.59 0.10 0.00 -0.92 0.00 0.00 57.85 57.62 1sx4 n ARG 47 Cb 0.00 -2.16 -0.11 0.00 0.45 0.00 0.00 32.46 30.64 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 1.53 0.33 -0.82 5.15 5.41 -1.26 -2.66 119.36 127.04 1sx4 n ILE 48 Ca 0.12 -0.54 -0.28 0.00 1.00 0.00 0.00 62.75 63.06 1sx4 n ILE 48 Cb 0.29 -0.17 -0.01 0.00 -0.71 0.00 0.00 39.64 39.04 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 -2.45 -1.00 -2.02 1.39 4.77 -1.26 -3.40 117.00 113.03 1sx4 n LEU 49 Ca -0.04 0.62 -0.13 0.00 -0.03 0.00 0.00 56.01 56.43 1sx4 n LEU 49 Cb 0.60 -0.55 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1sx4 n LEU 49 CO 0.44 -1.97 0.08 1.21 -1.33 0.00 0.00 177.39 175.82 1sx4 n GLU 50 N 0.65 -3.69 0.00 3.23 2.13 -1.26 -4.77 120.64 116.93 1sx4 n GLU 50 Ca 0.10 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.39 1sx4 n GLU 50 Cb 0.17 -4.44 0.00 0.00 0.27 0.00 0.00 31.44 27.45 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 -0.83 0.00 -2.56 4.31 5.15 -1.22 -4.82 115.26 115.30 1sx4 n ASN 51 Ca -0.02 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.72 1sx4 n ASN 51 Cb 0.55 0.00 -0.09 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 -0.28 0.52 8.20 0.00 -1.26 -4.60 105.19 107.77 1sx4 n GLY 52 Ca 0.00 0.66 0.07 0.00 0.00 0.00 0.00 46.02 46.75 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 4.82 -1.06 -3.41 1.61 4.71 -1.26 -4.97 120.64 121.08 1sx4 n GLU 53 Ca 0.37 0.71 -0.15 0.00 -0.01 0.00 0.00 57.16 58.09 1sx4 n GLU 53 Cb 0.02 -1.29 -0.10 0.00 -1.01 0.00 0.00 31.44 29.05 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 -1.53 -0.45 0.15 2.62 1.01 -1.26 -4.80 120.40 116.14 1sx4 s VAL 54 Ca 0.00 -0.22 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 1sx4 s VAL 54 Cb 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 36.38 35.48 1sx4 s VAL 54 CO 0.00 -0.26 0.88 -1.59 0.00 0.00 0.00 175.10 174.12 1sx4 s LYS 55 N 2.41 4.68 1.25 2.72 0.00 -1.09 -4.94 119.74 124.78 1sx4 s LYS 55 Ca 0.10 1.32 -0.18 0.00 0.00 0.00 0.00 55.97 57.21 1sx4 s LYS 55 Cb -0.15 -3.32 0.31 0.00 0.00 0.00 0.00 37.83 34.67 1sx4 s LYS 55 CO -0.20 0.40 1.02 -1.25 0.00 0.00 0.00 175.35 175.31 1sx4 s PRO 56 N -0.61 -1.61 0.18 1.78 0.04 -1.26 -2.67 135.00 130.85 1sx4 s PRO 56 Ca 0.41 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1sx4 s PRO 56 Cb -0.24 -1.52 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1sx4 s PRO 56 CO 0.28 -4.05 0.35 -0.51 0.04 0.00 0.00 177.00 173.12 1sx4 s LEU 57 N -7.30 4.27 0.00 -3.56 1.43 -1.26 -4.71 118.68 107.55 1sx4 s LEU 57 Ca 0.69 0.33 0.16 0.00 -1.03 0.00 0.00 54.13 54.28 1sx4 s LEU 57 Cb -0.16 -3.09 0.47 0.00 0.03 0.00 0.00 46.19 43.44 1sx4 s LEU 57 CO 0.59 -0.00 1.38 0.47 0.23 0.00 0.00 176.35 179.02 1sx4 n ASP 58 N -0.57 2.41 -4.60 2.29 9.92 -1.26 -4.80 116.55 119.93 1sx4 n ASP 58 Ca -0.05 -1.95 -0.34 0.00 -0.53 0.00 0.00 54.79 51.91 1sx4 n ASP 58 Cb 0.54 -0.27 -0.11 0.00 -0.64 0.00 0.00 41.12 40.64 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 -1.46 3.99 0.30 2.53 -7.23 -1.26 -5.13 120.40 112.13 1sx4 s VAL 59 Ca 0.32 -0.36 0.06 0.00 -1.81 0.00 0.00 61.98 60.19 1sx4 s VAL 59 Cb 0.17 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 1sx4 s VAL 59 CO 0.23 0.58 0.42 -1.59 -0.31 0.00 0.00 175.10 174.42 1sx4 s LYS 60 N -0.59 3.23 -0.25 4.82 -2.85 -1.26 -4.97 119.74 117.87 1sx4 s LYS 60 Ca 0.09 -0.92 -0.29 0.00 -1.00 0.00 0.00 55.97 53.85 1sx4 s LYS 60 Cb -0.12 -2.83 -0.06 0.00 -2.06 0.00 0.00 37.83 32.76 1sx4 s LYS 60 CO 0.02 0.21 2.24 0.28 0.10 0.00 0.00 175.35 178.20 1sx4 n VAL 61 N -1.53 0.31 0.00 1.79 0.31 -1.26 -2.45 118.33 115.49 1sx4 n VAL 61 Ca -0.04 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1sx4 n VAL 61 Cb 0.58 -2.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 1sx4 n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sx4 n GLY 62 N 5.86 0.98 3.75 2.92 0.00 0.74 -5.01 105.19 114.43 1sx4 n GLY 62 Ca 0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.96 4.46 -0.18 1.61 1.01 -1.03 -4.71 116.67 115.87 1sx4 s ASP 63 Ca 0.00 1.95 -0.07 0.00 0.71 0.00 0.00 52.55 55.13 1sx4 s ASP 63 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1sx4 s ASP 63 CO 0.00 -2.07 0.06 -0.63 0.21 0.00 0.00 175.17 172.74 1sx4 s ILE 64 N -2.67 4.72 0.00 0.77 1.01 -1.26 -1.43 121.20 122.34 1sx4 s ILE 64 Ca 0.64 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 61.25 1sx4 s ILE 64 Cb -0.19 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.15 1sx4 s ILE 64 CO 0.52 0.46 -0.06 0.68 0.00 0.00 0.00 174.94 176.54 1sx4 s VAL 65 N 0.39 0.42 -0.25 2.92 -7.23 0.48 -1.57 120.40 115.56 1sx4 s VAL 65 Ca 0.03 -0.34 -0.16 0.00 -1.81 0.00 0.00 61.98 59.69 1sx4 s VAL 65 Cb -0.13 -0.38 -0.03 0.00 0.56 0.00 0.00 36.38 36.40 1sx4 s VAL 65 CO 0.00 0.05 0.43 -0.63 -0.31 0.00 0.00 175.10 174.64 1sx4 s ILE 66 N -0.30 5.14 0.45 -0.62 1.01 -0.98 -0.97 121.20 124.93 1sx4 s ILE 66 Ca 0.00 0.71 0.06 0.00 0.00 0.00 0.00 60.65 61.43 1sx4 s ILE 66 Cb -0.03 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 1sx4 s ILE 66 CO -0.00 0.15 0.22 0.72 0.00 0.00 0.00 174.94 176.03 1sx4 s PHE 67 N 2.03 2.38 -0.44 3.97 -0.12 -0.45 -1.35 117.98 124.00 1sx4 s PHE 67 Ca 0.18 -0.66 -0.15 0.00 -0.05 0.00 0.00 56.93 56.25 1sx4 s PHE 67 Cb -0.16 -1.94 0.04 0.00 -0.63 0.00 0.00 43.02 40.34 1sx4 s PHE 67 CO 0.09 0.05 0.34 1.21 -0.05 0.00 0.00 175.22 176.86 1sx4 s ASN 68 N -3.99 6.12 -0.45 1.98 3.84 -0.30 -4.84 114.94 117.29 1sx4 s ASN 68 Ca 0.37 -1.10 -0.28 0.00 0.21 0.00 0.00 52.86 52.06 1sx4 s ASN 68 Cb 0.02 -2.17 0.00 0.00 -0.55 0.00 0.00 41.25 38.56 1sx4 s ASN 68 CO 0.21 -0.54 1.51 -0.62 -2.79 0.00 0.00 177.10 174.88 1sx4 s ASP 69 N 2.10 6.12 0.00 -4.21 -1.08 -1.26 -4.89 116.67 113.44 1sx4 s ASP 69 Ca 0.05 0.73 0.00 0.00 -0.52 0.00 0.00 52.55 52.80 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 0.08 -1.63 0.00 0.61 0.52 0.00 0.00 175.17 174.76 1sx4 n GLY 70 N 5.24 3.34 0.35 2.66 0.00 -1.26 -5.05 105.19 110.46 1sx4 n GLY 70 Ca 0.17 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 0.58 0.00 1.61 3.20 -2.05 -2.72 116.97 117.59 1sx4 h TYR 71 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1sx4 h TYR 71 Cb 0.00 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.08 1sx4 h TYR 71 CO 0.00 0.30 0.06 0.78 -1.64 0.00 0.00 178.16 177.65 1sx4 h GLY 72 N 0.56 0.00 -5.33 1.82 0.00 -1.96 -3.43 103.07 94.72 1sx4 h GLY 72 Ca 0.28 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.97 1sx4 h GLY 72 CO -0.09 0.00 -0.43 0.14 0.00 0.00 0.00 176.54 176.16 1sx4 s VAL 73 N -4.13 5.39 0.14 4.60 1.01 -1.03 -4.51 120.40 121.88 1sx4 s VAL 73 Ca -0.05 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.20 1sx4 s VAL 73 Cb 0.12 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1sx4 s VAL 73 CO 0.38 0.49 -0.18 -0.54 0.00 0.00 0.00 175.10 175.26 1sx4 s LYS 74 N -1.39 1.18 -0.21 2.72 -0.14 -1.02 -4.94 119.74 115.93 1sx4 s LYS 74 Ca 0.21 -1.31 -0.08 0.00 -1.36 0.00 0.00 55.97 53.43 1sx4 s LYS 74 Cb -0.13 -1.24 -0.04 0.00 -1.68 0.00 0.00 37.83 34.74 1sx4 s LYS 74 CO 0.11 0.26 0.09 0.45 -0.76 0.00 0.00 175.35 175.50 1sx4 s SER 75 N -2.44 5.68 0.26 2.83 0.15 -1.26 -1.80 113.70 117.12 1sx4 s SER 75 Ca 0.12 0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.82 1sx4 s SER 75 Cb -0.07 -2.00 -0.03 0.00 -1.71 0.00 0.00 66.02 62.22 1sx4 s SER 75 CO 0.05 0.11 0.23 -1.61 1.20 0.00 0.00 173.24 173.22 1sx4 s GLU 76 N 0.78 1.49 -0.11 5.44 0.41 -0.84 -5.05 118.70 120.81 1sx4 s GLU 76 Ca 0.05 -1.77 -0.02 0.00 -0.41 0.00 0.00 54.97 52.82 1sx4 s GLU 76 Cb -0.13 0.32 0.04 0.00 -1.78 0.00 0.00 34.13 32.57 1sx4 s GLU 76 CO 0.02 -0.53 -0.00 0.21 -0.49 0.00 0.00 175.26 174.47 1sx4 s LYS 77 N -3.79 0.77 -0.23 1.61 2.47 -1.26 -2.78 119.74 116.52 1sx4 s LYS 77 Ca 0.38 -0.11 0.02 0.00 -1.56 0.00 0.00 55.97 54.71 1sx4 s LYS 77 Cb 0.04 -1.40 0.05 0.00 -1.46 0.00 0.00 37.83 35.06 1sx4 s LYS 77 CO 0.19 -0.39 -0.14 0.42 0.16 0.00 0.00 175.35 175.58 1sx4 s ILE 78 N 1.89 2.07 -0.39 5.43 1.09 -1.12 -4.60 121.20 125.58 1sx4 s ILE 78 Ca 0.03 -1.35 0.00 0.00 -1.10 0.00 0.00 60.65 58.24 1sx4 s ILE 78 Cb -0.14 -2.08 0.00 0.00 -1.06 0.00 0.00 42.46 39.18 1sx4 s ILE 78 CO -0.06 0.17 0.00 0.47 -0.10 0.00 0.00 174.94 175.41 1sx4 n ASP 79 N 4.52 -5.63 -1.22 3.58 8.00 -1.26 -2.48 116.55 122.06 1sx4 n ASP 79 Ca -0.16 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1sx4 n ASP 79 Cb 0.45 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.10 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 -0.93 -1.88 -3.89 -2.24 2.85 -1.26 -5.13 115.26 102.77 1sx4 n ASN 80 Ca -0.04 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.32 1sx4 n ASN 80 Cb 0.48 -0.47 -0.13 0.00 1.24 0.00 0.00 39.78 40.90 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 -3.24 0.06 -0.67 1.20 8.01 -1.04 -5.12 118.70 117.91 1sx4 s GLU 81 Ca 0.00 -0.12 -0.27 0.00 0.01 0.00 0.00 54.97 54.59 1sx4 s GLU 81 Cb 0.00 0.02 0.03 0.00 -4.31 0.00 0.00 34.13 29.87 1sx4 s GLU 81 CO 0.00 -0.01 1.29 -1.21 0.01 0.00 0.00 175.26 175.34 1sx4 s GLU 82 N -0.29 3.28 0.06 1.61 0.41 -1.26 -2.77 118.70 119.73 1sx4 s GLU 82 Ca -0.03 0.02 0.09 0.00 -0.41 0.00 0.00 54.97 54.64 1sx4 s GLU 82 Cb -0.02 -4.13 -0.03 0.00 -1.78 0.00 0.00 34.13 28.17 1sx4 s GLU 82 CO -0.00 -2.01 -0.24 0.14 -0.49 0.00 0.00 175.26 172.67 1sx4 s VAL 83 N 5.67 1.93 0.18 2.63 -7.23 -1.12 -4.19 120.40 118.27 1sx4 s VAL 83 Ca 0.41 -1.37 0.10 0.00 -1.81 0.00 0.00 61.98 59.31 1sx4 s VAL 83 Cb -0.08 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 1sx4 s VAL 83 CO 0.20 0.24 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.29 1sx4 s LEU 84 N -1.36 2.71 -0.39 1.32 1.02 0.97 -1.98 118.68 120.97 1sx4 s LEU 84 Ca 0.10 -0.70 0.01 0.00 0.02 0.00 0.00 54.13 53.56 1sx4 s LEU 84 Cb -0.10 -1.43 0.12 0.00 0.02 0.00 0.00 46.19 44.80 1sx4 s LEU 84 CO 0.03 0.12 0.18 -0.63 0.02 0.00 0.00 176.35 176.07 1sx4 s ILE 85 N -1.62 1.24 0.39 -0.59 1.01 -0.75 -0.67 121.20 120.21 1sx4 s ILE 85 Ca 0.22 -2.15 0.08 0.00 0.00 0.00 0.00 60.65 58.80 1sx4 s ILE 85 Cb -0.09 -1.89 -0.08 0.00 0.01 0.00 0.00 42.46 40.42 1sx4 s ILE 85 CO 0.12 -0.81 -0.02 0.00 0.00 0.00 0.00 174.94 174.23 1sx4 s MET 86 N 0.81 1.91 0.51 2.79 0.23 -0.90 -2.44 119.30 122.21 1sx4 s MET 86 Ca 0.15 -2.06 -0.08 0.00 -1.03 0.00 0.00 55.69 52.67 1sx4 s MET 86 Cb -0.22 -1.65 -0.04 0.00 -1.53 0.00 0.00 34.83 31.39 1sx4 s MET 86 CO -0.08 0.01 0.86 -1.54 -2.03 0.00 0.00 175.02 172.23 1sx4 s SER 87 N -3.68 6.31 0.58 -1.18 1.04 -1.26 0.11 113.70 115.62 1sx4 s SER 87 Ca 0.34 1.12 0.28 0.00 0.48 0.00 0.00 55.95 58.18 1sx4 s SER 87 Cb 0.08 -2.33 1.50 0.00 0.10 0.00 0.00 66.02 65.36 1sx4 s SER 87 CO 0.17 -0.63 1.95 -0.08 0.98 0.00 0.00 173.24 175.63 1sx4 h GLU 88 N 0.28 0.00 -0.40 4.02 4.81 -1.84 0.17 114.58 121.62 1sx4 h GLU 88 Ca -0.46 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 58.89 1sx4 h GLU 88 Cb 1.20 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1sx4 h GLU 88 CO 0.62 0.00 0.41 0.77 -0.73 0.00 0.00 179.01 180.08 1sx4 h SER 89 N 0.00 0.00 0.31 1.04 0.02 -1.93 -0.32 113.55 112.67 1sx4 h SER 89 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1sx4 h SER 89 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1sx4 h SER 89 CO -0.00 0.00 -1.44 0.47 -1.14 0.00 0.00 176.83 174.71 1sx4 n ASP 90 N -3.80 0.43 -4.71 3.07 8.00 0.61 -4.89 116.55 115.25 1sx4 n ASP 90 Ca 0.07 -0.10 -0.42 0.00 0.71 0.00 0.00 54.79 55.05 1sx4 n ASP 90 Cb 0.59 1.28 -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 -3.35 4.80 -0.21 0.53 1.01 -0.13 -1.15 121.20 122.70 1sx4 s ILE 91 Ca -0.02 2.01 0.04 0.00 0.00 0.00 0.00 60.65 62.68 1sx4 s ILE 91 Cb 0.13 -4.29 -0.15 0.00 0.01 0.00 0.00 42.46 38.16 1sx4 s ILE 91 CO 0.85 0.14 -0.15 0.18 0.00 0.00 0.00 174.94 175.96 1sx4 n LEU 92 N 4.05 2.55 -3.87 2.97 4.77 -0.46 -4.96 117.00 122.05 1sx4 n LEU 92 Ca 0.07 -0.10 -0.08 0.00 -0.03 0.00 0.00 56.01 55.87 1sx4 n LEU 92 Cb 0.50 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1sx4 n LEU 92 CO 0.52 0.80 0.44 0.00 -1.33 0.00 0.00 177.39 177.82 1sx4 s ALA 93 N -2.43 -0.92 -0.12 -1.18 0.00 -1.08 -5.02 121.76 111.01 1sx4 s ALA 93 Ca -0.26 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1sx4 s ALA 93 Cb 0.07 0.84 0.02 0.00 0.00 0.00 0.00 23.12 24.05 1sx4 s ALA 93 CO 0.52 -1.00 -0.14 0.42 0.00 0.00 0.00 175.76 175.57 1sx4 s ILE 94 N -3.52 1.45 -0.20 0.00 1.01 -1.26 -2.32 121.20 116.36 1sx4 s ILE 94 Ca 0.14 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 1sx4 s ILE 94 Cb -0.05 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.07 1sx4 s ILE 94 CO 0.09 0.43 1.13 -0.69 0.00 0.00 0.00 174.94 175.90 1sx4 s VAL 95 N 1.24 4.52 0.00 2.92 1.01 -0.61 -4.98 120.40 124.50 1sx4 s VAL 95 Ca -0.01 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.80 1sx4 s VAL 95 Cb -0.14 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1sx4 s VAL 95 CO -0.05 -0.16 0.00 -0.62 0.00 0.00 0.00 175.10 174.27 1sx4 n GLU 96 N 6.42 2.72 -0.14 2.72 1.02 -1.26 -4.45 120.64 127.68 1sx4 n GLU 96 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 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