#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 5.26 0.19 3.17 4.22 -1.26 -4.68 114.94 121.84 1sx4 s ASN 2 Ca 0.00 -0.68 0.07 0.00 -2.14 0.00 0.00 52.86 50.11 1sx4 s ASN 2 Cb 0.00 -0.04 -0.04 0.00 1.28 0.00 0.00 41.25 42.45 1sx4 s ASN 2 CO 0.00 -1.17 0.02 -0.63 -2.04 0.00 0.00 177.10 173.28 1sx4 s ILE 3 N -2.58 3.79 -0.36 0.54 1.09 -1.26 -5.11 121.20 117.30 1sx4 s ILE 3 Ca 0.60 -1.47 0.00 0.00 -1.10 0.00 0.00 60.65 58.68 1sx4 s ILE 3 Cb -0.07 -2.93 0.14 0.00 -1.06 0.00 0.00 42.46 38.53 1sx4 s ILE 3 CO 0.37 -0.17 0.21 -0.60 -0.10 0.00 0.00 174.94 174.66 1sx4 s ARG 4 N -3.13 0.66 0.48 2.79 6.06 -1.26 -4.94 118.95 119.62 1sx4 s ARG 4 Ca 0.29 -1.42 -0.23 0.00 -2.50 0.00 0.00 55.73 51.86 1sx4 s ARG 4 Cb -0.09 -1.47 -0.07 0.00 0.06 0.00 0.00 34.95 33.39 1sx4 s ARG 4 CO 0.20 -1.20 1.27 -1.25 -2.50 0.00 0.00 175.30 171.82 1sx4 s PRO 5 N 0.97 3.59 -0.23 5.12 0.04 -1.26 -4.93 135.00 138.30 1sx4 s PRO 5 Ca 0.18 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 63.02 1sx4 s PRO 5 Cb -0.23 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 1sx4 s PRO 5 CO 0.00 -0.77 0.82 -1.17 0.04 0.00 0.00 177.00 175.92 1sx4 s LEU 6 N -3.04 4.10 0.00 -3.56 1.98 -1.26 -4.27 118.68 112.62 1sx4 s LEU 6 Ca 0.65 1.04 0.00 0.00 -2.89 0.00 0.00 54.13 52.93 1sx4 s LEU 6 Cb -0.36 -3.18 0.00 0.00 0.66 0.00 0.00 46.19 43.32 1sx4 s LEU 6 CO 0.43 -0.49 0.00 0.00 -1.89 0.00 0.00 176.35 174.41 1sx4 n HIS 7 N 5.85 0.00 0.00 5.38 1.44 -1.26 -2.61 115.22 124.02 1sx4 n HIS 7 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 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 0.55 0.00 -4.77 4.39 2.03 -1.26 -4.58 116.55 112.91 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 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 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 3.90 -0.03 -0.67 1.81 -1.07 -2.49 118.95 120.40 1sx4 s ARG 9 Ca 0.00 1.82 0.05 0.00 -1.72 0.00 0.00 55.73 55.88 1sx4 s ARG 9 Cb 0.00 -2.54 -0.01 0.00 -0.45 0.00 0.00 34.95 31.95 1sx4 s ARG 9 CO 0.00 -0.44 -0.19 0.08 -0.68 0.00 0.00 175.30 174.07 1sx4 s VAL 10 N -1.47 1.51 -0.34 3.52 1.01 0.20 -2.52 120.40 122.32 1sx4 s VAL 10 Ca 0.60 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1sx4 s VAL 10 Cb -0.30 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.81 1sx4 s VAL 10 CO 0.37 0.43 0.18 -0.63 0.00 0.00 0.00 175.10 175.45 1sx4 s ILE 11 N -0.24 4.62 0.23 2.22 1.01 0.57 -2.42 121.20 127.18 1sx4 s ILE 11 Ca 0.02 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.17 1sx4 s ILE 11 Cb -0.09 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 1sx4 s ILE 11 CO 0.01 -0.05 -0.12 0.68 0.00 0.00 0.00 174.94 175.46 1sx4 s VAL 12 N 1.59 1.70 -0.03 2.92 -7.23 -0.12 0.93 120.40 120.17 1sx4 s VAL 12 Ca 0.04 -2.19 0.07 0.00 -1.81 0.00 0.00 61.98 58.09 1sx4 s VAL 12 Cb -0.18 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 1sx4 s VAL 12 CO 0.07 -0.50 -0.25 -1.59 -0.31 0.00 0.00 175.10 172.52 1sx4 s LYS 13 N -3.67 2.16 0.69 4.82 -2.85 0.11 0.03 119.74 121.03 1sx4 s LYS 13 Ca 0.25 -0.89 -0.11 0.00 -1.00 0.00 0.00 55.97 54.22 1sx4 s LYS 13 Cb 0.01 -2.00 0.01 0.00 -2.06 0.00 0.00 37.83 33.78 1sx4 s LYS 13 CO 0.09 0.49 1.06 0.50 0.10 0.00 0.00 175.35 177.59 1sx4 s ARG 14 N -0.47 2.95 0.00 1.78 3.52 -1.26 -0.97 118.95 124.51 1sx4 s ARG 14 Ca 0.06 0.96 0.00 0.00 -0.13 0.00 0.00 55.73 56.62 1sx4 s ARG 14 Cb -0.11 -1.99 0.00 0.00 -1.56 0.00 0.00 34.95 31.29 1sx4 s ARG 14 CO 0.00 -1.09 0.00 1.63 -0.81 0.00 0.00 175.30 175.03 1sx4 n LYS 15 N -3.11 2.24 -2.11 5.12 5.02 -0.93 -4.82 118.16 119.58 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 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.52 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 -1.27 3.96 -0.19 1.97 0.41 -1.26 -4.55 118.70 117.77 1sx4 s GLU 16 Ca 0.00 1.84 -0.09 0.00 -0.41 0.00 0.00 54.97 56.31 1sx4 s GLU 16 Cb 0.00 -3.99 -0.09 0.00 -1.78 0.00 0.00 34.13 28.27 1sx4 s GLU 16 CO 0.00 -1.09 1.13 0.28 -0.49 0.00 0.00 175.26 175.08 1sx4 n VAL 17 N 6.00 0.00 -2.93 2.63 0.31 -1.26 -2.77 118.33 120.31 1sx4 n VAL 17 Ca 0.18 -0.35 -0.02 0.00 -0.01 0.00 0.00 64.34 64.14 1sx4 n VAL 17 Cb 0.44 -0.61 0.01 0.00 -0.91 0.00 0.00 33.84 32.77 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 5.30 -1.30 -1.58 5.55 1.02 -1.26 -4.86 120.64 123.51 1sx4 n GLU 18 Ca 0.13 1.32 -0.56 0.00 -0.02 0.00 0.00 57.16 58.04 1sx4 n GLU 18 Cb 0.41 -5.36 -0.08 0.00 -0.02 0.00 0.00 31.44 26.39 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 -1.87 0.23 -1.85 2.62 -1.04 -1.11 -4.73 114.28 106.53 1sx4 n THR 19 Ca -0.01 -0.11 -0.21 0.00 -2.04 0.00 0.00 64.05 61.68 1sx4 n THR 19 Cb 0.51 -1.25 -0.07 0.00 -1.82 0.00 0.00 70.33 67.71 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 4.66 2.04 0.00 -2.82 3.01 -1.26 -3.65 119.74 121.71 1sx4 s LYS 20 Ca 1.05 -0.31 0.00 0.00 -1.01 0.00 0.00 55.97 55.69 1sx4 s LYS 20 Cb -1.07 -5.02 0.00 0.00 -1.01 0.00 0.00 37.83 30.73 1sx4 s LYS 20 CO 0.61 -4.18 0.00 -1.13 0.51 0.00 0.00 175.35 171.16 1sx4 n SER 21 N 16.34 0.00 -4.11 2.83 3.41 -1.25 -4.60 113.62 126.24 1sx4 n SER 21 Ca 0.43 0.00 -0.49 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 64.36 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 -0.99 -3.01 0.00 7.33 0.00 -1.24 -1.33 120.51 121.27 1sx4 n ALA 22 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1sx4 n ALA 22 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 2.57 0.00 0.00 0.00 -1.26 -4.58 105.19 103.59 1sx4 n GLY 23 Ca 0.17 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.44 -4.92 105.19 99.60 1sx4 n GLY 24 Ca 0.00 0.08 0.07 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 0.72 -3.26 -0.61 2.04 -1.88 -3.45 117.51 111.07 1sx4 h ILE 25 Ca 0.00 -1.41 -0.58 0.00 1.00 0.00 0.00 64.86 63.88 1sx4 h ILE 25 Cb 0.00 1.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 1sx4 h ILE 25 CO 0.00 0.31 0.48 -0.69 0.00 0.00 0.00 178.15 178.25 1sx4 s VAL 26 N -3.56 4.83 -1.31 1.67 1.01 -1.26 -4.96 120.40 116.83 1sx4 s VAL 26 Ca 0.01 1.75 -0.12 0.00 0.00 0.00 0.00 61.98 63.62 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 -0.01 1.85 0.18 0.00 0.00 0.00 175.10 177.78 1sx4 n LEU 27 N 5.40 6.17 -4.45 3.92 4.32 -1.26 -3.94 117.00 127.17 1sx4 n LEU 27 Ca 0.06 -4.40 -0.46 0.00 -0.02 0.00 0.00 56.01 51.20 1sx4 n LEU 27 Cb 0.48 -1.59 -0.11 0.00 -1.62 0.00 0.00 43.42 40.59 1sx4 n LEU 27 CO 0.49 1.02 2.01 1.07 -1.22 0.00 0.00 177.39 180.76 1sx4 n THR 28 N 4.40 0.02 -1.66 -5.08 5.66 -1.26 -4.84 114.28 111.52 1sx4 n THR 28 Ca 0.43 -0.19 -0.39 0.00 -3.05 0.00 0.00 64.05 60.85 1sx4 n THR 28 Cb 0.40 -1.13 0.03 0.00 -1.55 0.00 0.00 70.33 68.08 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 6.62 0.15 3.70 1.09 0.00 -1.26 -4.66 105.19 110.84 1sx4 n GLY 29 Ca 0.54 0.02 -0.56 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.41 2.62 -1.74 1.61 7.64 -1.26 -4.86 113.62 117.22 1sx4 n SER 30 Ca 0.11 1.05 0.07 0.00 1.01 0.00 0.00 58.87 61.10 1sx4 n SER 30 Cb 0.44 -1.19 0.37 0.00 -1.01 0.00 0.00 64.21 62.81 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 5.74 3.64 -2.62 -0.43 0.00 -1.26 -4.91 120.51 120.66 1sx4 n ALA 31 Ca 0.26 -1.71 -0.06 0.00 0.00 0.00 0.00 53.44 51.93 1sx4 n ALA 31 Cb 0.16 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 0.69 -1.96 -3.15 0.00 0.00 -1.26 -5.11 120.51 109.72 1sx4 n ALA 32 Ca 0.25 0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.62 1sx4 n ALA 32 Cb 1.07 -2.89 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 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 -0.94 0.38 0.00 0.00 -1.26 -5.19 121.76 111.59 1sx4 s ALA 33 Ca 0.19 0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.51 1sx4 s ALA 33 Cb -0.02 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 1sx4 s ALA 33 CO 0.50 -0.43 0.13 0.21 0.00 0.00 0.00 175.76 176.17 1sx4 s LYS 34 N -2.34 2.20 0.26 0.00 2.47 -1.26 -4.43 119.74 116.64 1sx4 s LYS 34 Ca -0.06 -1.78 -0.14 0.00 -1.56 0.00 0.00 55.97 52.43 1sx4 s LYS 34 Cb -0.01 -1.99 -0.08 0.00 -1.46 0.00 0.00 37.83 34.29 1sx4 s LYS 34 CO -0.02 -0.01 0.65 0.45 0.16 0.00 0.00 175.35 176.59 1sx4 s SER 35 N -3.84 6.77 0.00 1.43 0.15 -1.26 -4.81 113.70 112.14 1sx4 s SER 35 Ca 0.39 1.16 0.11 0.00 0.70 0.00 0.00 55.95 58.31 1sx4 s SER 35 Cb 0.02 -2.32 0.04 0.00 -1.71 0.00 0.00 66.02 62.05 1sx4 s SER 35 CO 0.22 -0.10 0.75 0.35 1.20 0.00 0.00 173.24 175.66 1sx4 n THR 36 N -0.01 0.00 -3.00 6.45 -2.24 -1.26 -4.83 114.28 109.39 1sx4 n THR 36 Ca 0.01 -0.45 -0.28 0.00 -2.27 0.00 0.00 64.05 61.06 1sx4 n THR 36 Cb 0.52 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.91 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 -1.17 3.65 -0.17 -0.78 3.00 -1.26 -1.75 118.95 120.47 1sx4 s ARG 37 Ca 0.11 0.19 -0.31 0.00 0.00 0.00 0.00 55.73 55.72 1sx4 s ARG 37 Cb 0.09 -2.49 0.14 0.00 0.00 0.00 0.00 34.95 32.69 1sx4 s ARG 37 CO 0.20 0.02 1.11 0.20 0.00 0.00 0.00 175.30 176.83 1sx4 s GLY 38 N -3.46 -0.24 -0.18 -3.53 0.00 -0.28 -2.18 107.32 97.45 1sx4 s GLY 38 Ca 0.47 1.89 -0.09 0.00 0.00 0.00 0.00 44.72 46.99 1sx4 s GLY 38 CO 0.34 0.78 0.13 1.85 0.00 0.00 0.00 173.10 176.20 1sx4 s GLU 39 N -1.82 4.03 -0.12 2.90 2.12 -0.14 -0.49 118.70 125.18 1sx4 s GLU 39 Ca 0.05 -0.21 -0.29 0.00 0.36 0.00 0.00 54.97 54.87 1sx4 s GLU 39 Cb -0.01 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 1sx4 s GLU 39 CO -0.04 0.39 1.03 0.08 -0.54 0.00 0.00 175.26 176.18 1sx4 s VAL 40 N 0.10 4.72 -0.22 3.70 1.01 -0.63 0.05 120.40 129.12 1sx4 s VAL 40 Ca 0.09 2.00 -0.06 0.00 0.00 0.00 0.00 61.98 64.01 1sx4 s VAL 40 Cb -0.11 -4.29 -0.11 0.00 0.00 0.00 0.00 36.38 31.86 1sx4 s VAL 40 CO -0.01 -0.03 -0.25 0.18 0.00 0.00 0.00 175.10 174.99 1sx4 n LEU 41 N 5.28 2.14 -4.12 3.92 4.77 0.27 0.06 117.00 129.31 1sx4 n LEU 41 Ca 0.10 0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 56.12 1sx4 n LEU 41 Cb 0.48 -0.70 -0.10 0.00 -2.33 0.00 0.00 43.42 40.77 1sx4 n LEU 41 CO 0.52 0.62 -0.33 0.00 -1.33 0.00 0.00 177.39 176.87 1sx4 s ALA 42 N -2.42 0.69 0.01 -1.18 0.00 -0.47 -4.68 121.76 113.72 1sx4 s ALA 42 Ca -0.31 -1.33 0.04 0.00 0.00 0.00 0.00 51.96 50.36 1sx4 s ALA 42 Cb 0.10 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 1sx4 s ALA 42 CO 0.44 -0.41 -0.12 0.08 0.00 0.00 0.00 175.76 175.74 1sx4 s VAL 43 N -3.95 0.95 0.27 0.00 1.01 -1.26 -0.31 120.40 117.10 1sx4 s VAL 43 Ca 0.15 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1sx4 s VAL 43 Cb 0.08 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 1sx4 s VAL 43 CO -0.05 0.16 0.54 -0.83 0.00 0.00 0.00 175.10 174.92 1sx4 s GLY 44 N -0.57 1.93 0.31 4.51 0.00 -1.05 -4.59 107.32 107.86 1sx4 s GLY 44 Ca 0.03 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.24 1sx4 s GLY 44 CO 0.00 -0.41 1.58 3.43 0.00 0.00 0.00 173.10 177.70 1sx4 h ASN 45 N 1.86 -0.43 -3.80 1.64 2.35 -1.90 -3.37 115.58 111.93 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 1.19 0.46 0.00 0.00 0.05 0.00 0.00 38.32 40.02 1sx4 h ASN 45 CO 0.67 -0.34 0.00 0.61 -1.65 0.00 0.00 177.43 176.72 1sx4 n GLY 46 N -1.48 4.42 3.57 2.83 0.00 -1.26 -4.14 105.19 109.12 1sx4 n GLY 46 Ca 0.23 -1.41 -0.47 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.95 1.12 0.00 1.61 0.63 -1.13 -4.10 116.66 112.85 1sx4 n ARG 47 Ca 0.00 0.40 0.09 0.00 -0.92 0.00 0.00 57.85 57.41 1sx4 n ARG 47 Cb 0.00 -1.81 -0.13 0.00 0.45 0.00 0.00 32.46 30.97 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 0.91 0.29 -0.69 5.15 5.41 -1.26 -2.84 119.36 126.34 1sx4 n ILE 48 Ca 0.13 -0.55 -0.23 0.00 1.00 0.00 0.00 62.75 63.11 1sx4 n ILE 48 Cb 0.27 -0.14 -0.01 0.00 -0.71 0.00 0.00 39.64 39.06 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 -2.41 -1.11 -2.36 1.39 4.77 -1.26 -3.46 117.00 112.57 1sx4 n LEU 49 Ca -0.06 0.48 -0.16 0.00 -0.03 0.00 0.00 56.01 56.25 1sx4 n LEU 49 Cb 0.63 -0.47 0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1sx4 n LEU 49 CO 0.44 -1.88 0.08 1.21 -1.33 0.00 0.00 177.39 175.92 1sx4 n GLU 50 N 0.61 -4.37 0.00 3.23 2.13 -1.26 -4.75 120.64 116.23 1sx4 n GLU 50 Ca 0.07 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1sx4 n GLU 50 Cb 0.17 -4.84 0.00 0.00 0.27 0.00 0.00 31.44 27.04 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 -1.35 0.00 -2.87 4.31 5.15 -1.22 -4.82 115.26 114.45 1sx4 n ASN 51 Ca -0.04 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.65 1sx4 n ASN 51 Cb 0.56 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.72 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 -0.26 0.53 8.20 0.00 -1.26 -4.62 105.19 107.77 1sx4 n GLY 52 Ca 0.00 0.74 0.07 0.00 0.00 0.00 0.00 46.02 46.83 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 5.34 -1.01 -3.40 1.61 4.71 -1.26 -4.96 120.64 121.67 1sx4 n GLU 53 Ca 0.41 0.66 -0.15 0.00 -0.01 0.00 0.00 57.16 58.07 1sx4 n GLU 53 Cb 0.01 -1.23 -0.10 0.00 -1.01 0.00 0.00 31.44 29.11 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 -1.42 -0.44 0.13 2.62 1.01 -1.26 -4.79 120.40 116.26 1sx4 s VAL 54 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1sx4 s VAL 54 Cb 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.41 1sx4 s VAL 54 CO 0.00 -0.35 0.97 -1.59 0.00 0.00 0.00 175.10 174.13 1sx4 s LYS 55 N 2.40 4.71 1.27 2.72 0.00 -1.13 -4.92 119.74 124.79 1sx4 s LYS 55 Ca 0.09 1.48 -0.17 0.00 0.00 0.00 0.00 55.97 57.38 1sx4 s LYS 55 Cb -0.14 -3.36 0.32 0.00 0.00 0.00 0.00 37.83 34.65 1sx4 s LYS 55 CO -0.26 0.24 0.99 -1.25 0.00 0.00 0.00 175.35 175.06 1sx4 s PRO 56 N -0.17 -1.75 0.16 1.78 0.04 -1.26 -2.83 135.00 130.95 1sx4 s PRO 56 Ca 0.46 0.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.00 1sx4 s PRO 56 Cb -0.24 -1.48 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 1sx4 s PRO 56 CO 0.31 -4.19 0.35 -0.51 0.04 0.00 0.00 177.00 172.99 1sx4 s LEU 57 N -7.46 4.27 -0.01 -3.56 1.43 -1.26 -4.73 118.68 107.36 1sx4 s LEU 57 Ca 0.69 0.41 0.12 0.00 -1.03 0.00 0.00 54.13 54.32 1sx4 s LEU 57 Cb -0.20 -3.15 0.37 0.00 0.03 0.00 0.00 46.19 43.25 1sx4 s LEU 57 CO 0.62 0.03 1.30 0.47 0.23 0.00 0.00 176.35 179.00 1sx4 n ASP 58 N -0.28 2.33 -4.41 2.29 9.92 -1.26 -4.79 116.55 120.35 1sx4 n ASP 58 Ca -0.04 -2.04 -0.33 0.00 -0.53 0.00 0.00 54.79 51.85 1sx4 n ASP 58 Cb 0.53 -0.30 -0.14 0.00 -0.64 0.00 0.00 41.12 40.57 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 -1.48 3.08 0.37 2.53 -7.23 -1.26 -5.14 120.40 111.27 1sx4 s VAL 59 Ca 0.28 -0.68 0.05 0.00 -1.81 0.00 0.00 61.98 59.83 1sx4 s VAL 59 Cb 0.15 -2.26 -0.00 0.00 0.56 0.00 0.00 36.38 34.83 1sx4 s VAL 59 CO 0.18 0.55 0.53 -1.59 -0.31 0.00 0.00 175.10 174.46 1sx4 s LYS 60 N -0.05 3.07 -0.29 4.82 -2.85 -1.26 -4.96 119.74 118.21 1sx4 s LYS 60 Ca -0.03 -0.92 -0.28 0.00 -1.00 0.00 0.00 55.97 53.75 1sx4 s LYS 60 Cb -0.14 -2.75 -0.05 0.00 -2.06 0.00 0.00 37.83 32.83 1sx4 s LYS 60 CO 0.04 -0.05 2.17 0.08 0.10 0.00 0.00 175.35 177.68 1sx4 s VAL 61 N -2.28 3.10 0.00 1.79 1.01 -1.26 -2.77 120.40 119.98 1sx4 s VAL 61 Ca 0.47 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1sx4 s VAL 61 Cb -0.10 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1sx4 s VAL 61 CO 0.33 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1sx4 n GLY 62 N 5.75 0.98 3.76 4.51 0.00 0.11 -5.00 105.19 115.31 1sx4 n GLY 62 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.75 4.50 -0.18 1.61 1.01 -1.12 -4.69 116.67 116.05 1sx4 s ASP 63 Ca 0.00 1.85 -0.08 0.00 0.71 0.00 0.00 52.55 55.04 1sx4 s ASP 63 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 1sx4 s ASP 63 CO 0.00 -2.04 0.07 -0.63 0.21 0.00 0.00 175.17 172.78 1sx4 s ILE 64 N -2.84 4.86 0.01 0.77 1.01 -1.26 -1.61 121.20 122.14 1sx4 s ILE 64 Ca 0.62 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 61.28 1sx4 s ILE 64 Cb -0.18 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 1sx4 s ILE 64 CO 0.55 0.47 -0.08 0.68 0.00 0.00 0.00 174.94 176.55 1sx4 s VAL 65 N 0.30 0.65 -0.27 2.92 -7.23 0.36 -1.37 120.40 115.76 1sx4 s VAL 65 Ca 0.04 -0.59 -0.14 0.00 -1.81 0.00 0.00 61.98 59.48 1sx4 s VAL 65 Cb -0.12 -0.60 -0.04 0.00 0.56 0.00 0.00 36.38 36.18 1sx4 s VAL 65 CO -0.00 0.02 0.35 -0.63 -0.31 0.00 0.00 175.10 174.53 1sx4 s ILE 66 N -0.54 5.19 0.44 -0.62 1.01 -0.96 -1.13 121.20 124.60 1sx4 s ILE 66 Ca -0.00 0.52 0.07 0.00 0.00 0.00 0.00 60.65 61.23 1sx4 s ILE 66 Cb -0.05 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1sx4 s ILE 66 CO 0.00 0.17 0.25 0.72 0.00 0.00 0.00 174.94 176.08 1sx4 s PHE 67 N 2.02 2.43 -0.43 3.97 -0.12 -0.72 -1.56 117.98 123.57 1sx4 s PHE 67 Ca 0.14 -0.63 -0.17 0.00 -0.05 0.00 0.00 56.93 56.22 1sx4 s PHE 67 Cb -0.16 -1.98 0.03 0.00 -0.63 0.00 0.00 43.02 40.28 1sx4 s PHE 67 CO 0.10 0.01 0.44 1.21 -0.05 0.00 0.00 175.22 176.94 1sx4 s ASN 68 N -4.01 6.19 -0.46 1.98 3.84 0.31 -4.86 114.94 117.94 1sx4 s ASN 68 Ca 0.40 -0.72 -0.28 0.00 0.21 0.00 0.00 52.86 52.46 1sx4 s ASN 68 Cb 0.01 -2.23 0.01 0.00 -0.55 0.00 0.00 41.25 38.50 1sx4 s ASN 68 CO 0.22 -0.60 1.42 -0.62 -2.79 0.00 0.00 177.10 174.74 1sx4 s ASP 69 N 1.89 6.25 0.00 -4.21 -1.08 -1.26 -4.88 116.67 113.37 1sx4 s ASP 69 Ca 0.12 0.66 0.00 0.00 -0.52 0.00 0.00 52.55 52.81 1sx4 s ASP 69 Cb -0.17 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 1sx4 s ASP 69 CO 0.13 -1.54 0.00 0.61 0.52 0.00 0.00 175.17 174.89 1sx4 n GLY 70 N 5.15 3.25 0.36 2.66 0.00 -1.26 -5.05 105.19 110.30 1sx4 n GLY 70 Ca 0.15 -0.89 0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 0.11 0.82 0.00 1.61 3.20 -2.04 -2.71 116.97 117.96 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 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.00 1sx4 h TYR 71 CO 0.00 0.38 0.09 0.78 -1.64 0.00 0.00 178.16 177.76 1sx4 h GLY 72 N 0.76 0.00 -5.52 1.82 0.00 -1.96 -3.43 103.07 94.74 1sx4 h GLY 72 Ca 0.39 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 47.06 1sx4 h GLY 72 CO -0.16 0.00 -0.42 0.14 0.00 0.00 0.00 176.54 176.10 1sx4 s VAL 73 N -3.95 5.41 0.17 4.60 1.01 -1.02 -4.48 120.40 122.14 1sx4 s VAL 73 Ca -0.04 0.34 0.09 0.00 0.00 0.00 0.00 61.98 62.37 1sx4 s VAL 73 Cb 0.10 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1sx4 s VAL 73 CO 0.32 0.61 -0.19 -0.54 0.00 0.00 0.00 175.10 175.30 1sx4 s LYS 74 N -1.02 1.31 -0.20 2.72 -0.14 -0.90 -4.92 119.74 116.59 1sx4 s LYS 74 Ca 0.17 -1.43 -0.07 0.00 -1.36 0.00 0.00 55.97 53.27 1sx4 s LYS 74 Cb -0.13 -1.37 -0.04 0.00 -1.68 0.00 0.00 37.83 34.61 1sx4 s LYS 74 CO 0.06 0.28 0.06 0.45 -0.76 0.00 0.00 175.35 175.43 1sx4 s SER 75 N -2.72 5.45 0.25 2.83 0.15 -1.26 -1.38 113.70 117.02 1sx4 s SER 75 Ca 0.17 -0.00 0.02 0.00 0.70 0.00 0.00 55.95 56.84 1sx4 s SER 75 Cb -0.06 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.28 1sx4 s SER 75 CO 0.07 0.12 0.18 -1.61 1.20 0.00 0.00 173.24 173.21 1sx4 s GLU 76 N 0.66 1.42 -0.14 5.44 0.41 -0.47 -5.02 118.70 121.00 1sx4 s GLU 76 Ca 0.03 -1.78 -0.01 0.00 -0.41 0.00 0.00 54.97 52.79 1sx4 s GLU 76 Cb -0.13 0.26 0.04 0.00 -1.78 0.00 0.00 34.13 32.51 1sx4 s GLU 76 CO 0.02 -0.48 -0.03 0.21 -0.49 0.00 0.00 175.26 174.48 1sx4 s LYS 77 N -3.89 1.19 -0.22 1.61 2.47 -1.26 -2.52 119.74 117.11 1sx4 s LYS 77 Ca 0.39 -0.34 0.02 0.00 -1.56 0.00 0.00 55.97 54.48 1sx4 s LYS 77 Cb 0.05 -1.76 0.04 0.00 -1.46 0.00 0.00 37.83 34.71 1sx4 s LYS 77 CO 0.18 -0.41 -0.13 0.42 0.16 0.00 0.00 175.35 175.57 1sx4 s ILE 78 N 1.74 1.98 -0.36 5.43 1.09 -1.13 -4.59 121.20 125.36 1sx4 s ILE 78 Ca 0.02 -1.27 0.00 0.00 -1.10 0.00 0.00 60.65 58.30 1sx4 s ILE 78 Cb -0.14 -2.00 0.00 0.00 -1.06 0.00 0.00 42.46 39.25 1sx4 s ILE 78 CO -0.07 0.17 0.00 0.47 -0.10 0.00 0.00 174.94 175.41 1sx4 n ASP 79 N 4.56 -5.82 -1.17 3.58 8.00 -1.26 -2.30 116.55 122.13 1sx4 n ASP 79 Ca -0.16 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1sx4 n ASP 79 Cb 0.45 -3.62 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 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 -1.02 -1.81 -3.87 -2.24 2.85 -1.26 -5.13 115.26 102.78 1sx4 n ASN 80 Ca -0.03 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.32 1sx4 n ASN 80 Cb 0.51 -0.45 -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 -3.16 0.00 -0.68 1.20 8.01 -0.97 -5.12 118.70 117.98 1sx4 s GLU 81 Ca 0.00 0.01 -0.27 0.00 0.01 0.00 0.00 54.97 54.72 1sx4 s GLU 81 Cb 0.00 -0.00 0.02 0.00 -4.31 0.00 0.00 34.13 29.84 1sx4 s GLU 81 CO 0.00 -0.00 1.37 -1.21 0.01 0.00 0.00 175.26 175.42 1sx4 s GLU 82 N 0.03 3.17 0.08 1.61 0.41 -1.26 -2.84 118.70 119.89 1sx4 s GLU 82 Ca -0.00 0.04 0.09 0.00 -0.41 0.00 0.00 54.97 54.69 1sx4 s GLU 82 Cb -0.00 -4.18 -0.03 0.00 -1.78 0.00 0.00 34.13 28.13 1sx4 s GLU 82 CO -0.00 -2.14 -0.25 0.14 -0.49 0.00 0.00 175.26 172.51 1sx4 s VAL 83 N 6.15 2.07 0.13 2.63 -7.23 -1.05 -4.20 120.40 118.91 1sx4 s VAL 83 Ca 0.43 -1.49 0.11 0.00 -1.81 0.00 0.00 61.98 59.22 1sx4 s VAL 83 Cb -0.09 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1sx4 s VAL 83 CO 0.18 0.23 -0.25 -0.76 -0.31 0.00 0.00 175.10 174.19 1sx4 s LEU 84 N -1.53 2.33 -0.40 1.32 1.02 0.11 -1.36 118.68 120.16 1sx4 s LEU 84 Ca 0.11 -0.75 0.02 0.00 0.02 0.00 0.00 54.13 53.53 1sx4 s LEU 84 Cb -0.10 -1.15 0.12 0.00 0.02 0.00 0.00 46.19 45.08 1sx4 s LEU 84 CO 0.03 0.15 0.16 -0.63 0.02 0.00 0.00 176.35 176.08 1sx4 s ILE 85 N -1.17 1.70 0.34 -0.59 1.01 -0.48 -0.95 121.20 121.06 1sx4 s ILE 85 Ca 0.14 -2.36 0.08 0.00 0.00 0.00 0.00 60.65 58.50 1sx4 s ILE 85 Cb -0.10 -2.23 -0.07 0.00 0.01 0.00 0.00 42.46 40.08 1sx4 s ILE 85 CO 0.06 -0.75 -0.05 0.00 0.00 0.00 0.00 174.94 174.20 1sx4 s MET 86 N 0.68 1.75 0.48 2.79 0.23 -1.02 -2.11 119.30 122.10 1sx4 s MET 86 Ca 0.14 -1.92 -0.06 0.00 -1.03 0.00 0.00 55.69 52.82 1sx4 s MET 86 Cb -0.22 -1.44 -0.04 0.00 -1.53 0.00 0.00 34.83 31.60 1sx4 s MET 86 CO -0.08 0.04 0.79 -1.54 -2.03 0.00 0.00 175.02 172.20 1sx4 s SER 87 N -3.57 6.28 0.59 -1.18 1.04 -1.26 0.62 113.70 116.22 1sx4 s SER 87 Ca 0.32 0.95 0.29 0.00 0.48 0.00 0.00 55.95 57.99 1sx4 s SER 87 Cb 0.05 -2.26 1.46 0.00 0.10 0.00 0.00 66.02 65.38 1sx4 s SER 87 CO 0.15 -0.57 1.88 -0.08 0.98 0.00 0.00 173.24 175.60 1sx4 h GLU 88 N 0.29 0.00 -0.33 4.02 4.81 -1.82 0.26 114.58 121.81 1sx4 h GLU 88 Ca -0.47 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 58.86 1sx4 h GLU 88 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1sx4 h GLU 88 CO 0.62 0.00 0.36 0.77 -0.73 0.00 0.00 179.01 180.02 1sx4 h SER 89 N 0.00 0.00 0.29 1.04 0.02 -1.92 0.14 113.55 113.12 1sx4 h SER 89 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1sx4 h SER 89 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1sx4 h SER 89 CO -0.00 0.00 -1.25 0.47 -1.14 0.00 0.00 176.83 174.91 1sx4 n ASP 90 N -3.77 0.55 -4.71 3.07 8.00 0.91 -4.89 116.55 115.71 1sx4 n ASP 90 Ca 0.05 -0.26 -0.42 0.00 0.71 0.00 0.00 54.79 54.87 1sx4 n ASP 90 Cb 0.51 1.09 -0.03 0.00 -0.02 0.00 0.00 41.12 42.67 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 -3.25 4.90 -0.19 0.53 1.01 0.03 -0.53 121.20 123.71 1sx4 s ILE 91 Ca 0.01 1.97 0.02 0.00 0.00 0.00 0.00 60.65 62.65 1sx4 s ILE 91 Cb 0.14 -4.28 -0.13 0.00 0.01 0.00 0.00 42.46 38.21 1sx4 s ILE 91 CO 0.84 0.17 -0.15 0.18 0.00 0.00 0.00 174.94 175.98 1sx4 n LEU 92 N 3.88 2.75 -3.89 2.97 4.77 -0.60 -4.95 117.00 121.93 1sx4 n LEU 92 Ca 0.05 -0.10 -0.08 0.00 -0.03 0.00 0.00 56.01 55.86 1sx4 n LEU 92 Cb 0.51 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1sx4 n LEU 92 CO 0.51 0.79 0.41 0.00 -1.33 0.00 0.00 177.39 177.77 1sx4 s ALA 93 N -2.38 -0.94 -0.11 -1.18 0.00 -1.09 -5.03 121.76 111.03 1sx4 s ALA 93 Ca -0.24 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1sx4 s ALA 93 Cb 0.06 0.88 0.01 0.00 0.00 0.00 0.00 23.12 24.08 1sx4 s ALA 93 CO 0.46 -0.99 -0.17 0.42 0.00 0.00 0.00 175.76 175.48 1sx4 s ILE 94 N -3.77 1.62 -0.24 0.00 1.01 -1.26 -2.25 121.20 116.30 1sx4 s ILE 94 Ca 0.14 -0.72 -0.26 0.00 0.00 0.00 0.00 60.65 59.81 1sx4 s ILE 94 Cb -0.05 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.96 1sx4 s ILE 94 CO 0.08 0.47 0.91 -0.69 0.00 0.00 0.00 174.94 175.71 1sx4 s VAL 95 N 0.93 4.77 0.00 2.92 1.01 -0.47 -4.97 120.40 124.58 1sx4 s VAL 95 Ca -0.07 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.63 1sx4 s VAL 95 Cb -0.15 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1sx4 s VAL 95 CO -0.01 -0.14 0.00 -0.62 0.00 0.00 0.00 175.10 174.33 1sx4 n GLU 96 N 6.16 2.90 -0.14 2.72 1.02 -1.26 -4.44 120.64 127.61 1sx4 n GLU 96 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1sx4 n GLU 96 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 1sx4 n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31