#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 5.23 0.20 3.17 4.22 -1.26 -4.67 114.94 121.83 1sx4 s ASN 2 Ca 0.00 -0.69 0.08 0.00 -2.14 0.00 0.00 52.86 50.11 1sx4 s ASN 2 Cb 0.00 -0.01 -0.04 0.00 1.28 0.00 0.00 41.25 42.48 1sx4 s ASN 2 CO 0.00 -1.20 -0.01 -0.63 -2.04 0.00 0.00 177.10 173.22 1sx4 s ILE 3 N -2.60 3.57 -0.33 0.54 1.09 -1.26 -5.11 121.20 117.10 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 -2.82 0.12 0.00 -1.06 0.00 0.00 42.46 38.63 1sx4 s ILE 3 CO 0.38 -0.18 0.18 -0.60 -0.10 0.00 0.00 174.94 174.61 1sx4 s ARG 4 N -3.13 0.43 0.44 2.79 6.06 -1.26 -4.92 118.95 119.36 1sx4 s ARG 4 Ca 0.28 -1.04 -0.24 0.00 -2.50 0.00 0.00 55.73 52.23 1sx4 s ARG 4 Cb -0.08 -1.27 -0.08 0.00 0.06 0.00 0.00 34.95 33.58 1sx4 s ARG 4 CO 0.18 -1.14 1.26 -1.25 -2.50 0.00 0.00 175.30 171.85 1sx4 s PRO 5 N 1.45 3.78 -0.24 5.12 0.04 -1.26 -4.94 135.00 138.94 1sx4 s PRO 5 Ca 0.15 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 62.98 1sx4 s PRO 5 Cb -0.20 -2.57 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 1sx4 s PRO 5 CO -0.13 -0.60 0.77 -1.17 0.04 0.00 0.00 177.00 175.91 1sx4 s LEU 6 N -2.78 4.08 0.00 -3.56 1.98 -1.26 -4.21 118.68 112.93 1sx4 s LEU 6 Ca 0.61 0.95 0.00 0.00 -2.89 0.00 0.00 54.13 52.80 1sx4 s LEU 6 Cb -0.35 -3.10 0.00 0.00 0.66 0.00 0.00 46.19 43.40 1sx4 s LEU 6 CO 0.44 -0.47 0.00 0.00 -1.89 0.00 0.00 176.35 174.43 1sx4 n HIS 7 N 5.88 0.00 0.00 5.38 1.44 -1.26 -2.48 115.22 124.18 1sx4 n HIS 7 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 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 -1.25 -4.54 116.55 112.97 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 3.86 -0.04 -0.67 1.81 -1.03 -2.55 118.95 120.33 1sx4 s ARG 9 Ca 0.00 1.98 0.05 0.00 -1.72 0.00 0.00 55.73 56.04 1sx4 s ARG 9 Cb 0.00 -2.61 -0.01 0.00 -0.45 0.00 0.00 34.95 31.89 1sx4 s ARG 9 CO 0.00 -0.52 -0.18 0.08 -0.68 0.00 0.00 175.30 173.99 1sx4 s VAL 10 N -1.37 1.53 -0.32 3.52 1.01 0.21 -2.14 120.40 122.83 1sx4 s VAL 10 Ca 0.60 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 1sx4 s VAL 10 Cb -0.34 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 1sx4 s VAL 10 CO 0.42 0.44 0.17 -0.63 0.00 0.00 0.00 175.10 175.50 1sx4 s ILE 11 N -0.03 4.70 0.22 2.22 1.01 0.17 -2.44 121.20 127.06 1sx4 s ILE 11 Ca -0.03 -0.45 0.08 0.00 0.00 0.00 0.00 60.65 60.26 1sx4 s ILE 11 Cb -0.11 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 1sx4 s ILE 11 CO 0.02 0.01 -0.14 0.68 0.00 0.00 0.00 174.94 175.52 1sx4 s VAL 12 N 1.62 1.80 -0.04 2.92 -7.23 0.11 0.97 120.40 120.56 1sx4 s VAL 12 Ca 0.04 -2.22 0.07 0.00 -1.81 0.00 0.00 61.98 58.06 1sx4 s VAL 12 Cb -0.17 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 1sx4 s VAL 12 CO 0.07 -0.54 -0.25 -1.59 -0.31 0.00 0.00 175.10 172.48 1sx4 s LYS 13 N -3.64 2.37 0.72 4.82 -2.85 0.15 0.11 119.74 121.42 1sx4 s LYS 13 Ca 0.24 -0.91 -0.11 0.00 -1.00 0.00 0.00 55.97 54.20 1sx4 s LYS 13 Cb -0.01 -2.12 0.03 0.00 -2.06 0.00 0.00 37.83 33.67 1sx4 s LYS 13 CO 0.08 0.46 1.07 0.50 0.10 0.00 0.00 175.35 177.57 1sx4 s ARG 14 N -0.37 2.68 0.00 1.78 3.52 -1.26 -0.69 118.95 124.62 1sx4 s ARG 14 Ca 0.03 1.04 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 1sx4 s ARG 14 Cb -0.12 -1.95 0.00 0.00 -1.56 0.00 0.00 34.95 31.31 1sx4 s ARG 14 CO 0.02 -1.30 0.00 1.63 -0.81 0.00 0.00 175.30 174.83 1sx4 n LYS 15 N -3.27 2.18 -2.05 5.12 5.02 -1.02 -4.81 118.16 119.34 1sx4 n LYS 15 Ca 0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.95 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 -1.30 3.96 -0.12 1.97 0.41 -1.26 -4.56 118.70 117.80 1sx4 s GLU 16 Ca 0.00 1.93 -0.06 0.00 -0.41 0.00 0.00 54.97 56.43 1sx4 s GLU 16 Cb 0.00 -4.02 -0.06 0.00 -1.78 0.00 0.00 34.13 28.27 1sx4 s GLU 16 CO 0.00 -1.10 0.99 0.28 -0.49 0.00 0.00 175.26 174.94 1sx4 n VAL 17 N 5.99 0.00 -2.89 2.63 0.31 -1.26 -3.07 118.33 120.04 1sx4 n VAL 17 Ca 0.18 -0.40 -0.03 0.00 -0.01 0.00 0.00 64.34 64.09 1sx4 n VAL 17 Cb 0.44 -0.41 0.01 0.00 -0.91 0.00 0.00 33.84 32.97 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 4.86 -1.32 -1.61 5.55 1.02 -1.26 -4.86 120.64 123.03 1sx4 n GLU 18 Ca 0.09 1.24 -0.56 0.00 -0.02 0.00 0.00 57.16 57.92 1sx4 n GLU 18 Cb 0.40 -5.23 -0.07 0.00 -0.02 0.00 0.00 31.44 26.51 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 -1.94 0.27 -1.90 2.62 -1.04 -1.17 -4.72 114.28 106.38 1sx4 n THR 19 Ca -0.01 -0.10 -0.23 0.00 -2.04 0.00 0.00 64.05 61.66 1sx4 n THR 19 Cb 0.52 -1.31 -0.06 0.00 -1.82 0.00 0.00 70.33 67.66 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 4.45 2.19 0.00 -2.82 3.01 -1.26 -3.70 119.74 121.61 1sx4 s LYS 20 Ca 1.03 -0.35 0.00 0.00 -1.01 0.00 0.00 55.97 55.64 1sx4 s LYS 20 Cb -1.03 -5.04 0.00 0.00 -1.01 0.00 0.00 37.83 30.75 1sx4 s LYS 20 CO 0.61 -3.98 0.00 -1.13 0.51 0.00 0.00 175.35 171.36 1sx4 n SER 21 N 15.70 0.00 -4.41 2.83 3.41 -1.25 -4.61 113.62 125.28 1sx4 n SER 21 Ca 0.43 0.00 -0.52 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 64.36 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 -0.87 -3.16 0.00 7.33 0.00 -1.24 -1.35 120.51 121.22 1sx4 n ALA 22 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1sx4 n ALA 22 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 1.80 2.65 0.00 0.00 0.00 -1.26 -4.57 105.19 103.81 1sx4 n GLY 23 Ca 0.19 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.28 0.20 -0.02 0.00 -0.46 -4.91 105.19 99.72 1sx4 n GLY 24 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 0.60 -3.27 -0.61 2.04 -1.88 -3.45 117.51 110.94 1sx4 h ILE 25 Ca 0.00 -1.34 -0.58 0.00 1.00 0.00 0.00 64.86 63.94 1sx4 h ILE 25 Cb 0.00 1.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.93 1sx4 h ILE 25 CO 0.00 0.27 0.46 -0.69 0.00 0.00 0.00 178.15 178.19 1sx4 s VAL 26 N -3.50 4.84 -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 0.09 -4.18 0.13 0.00 0.00 0.00 0.00 36.38 32.42 1sx4 s VAL 26 CO 0.66 0.00 1.92 0.18 0.00 0.00 0.00 175.10 177.86 1sx4 n LEU 27 N 5.31 6.44 -4.45 3.92 4.32 -1.26 -3.94 117.00 127.34 1sx4 n LEU 27 Ca 0.06 -4.43 -0.45 0.00 -0.02 0.00 0.00 56.01 51.17 1sx4 n LEU 27 Cb 0.48 -1.56 -0.11 0.00 -1.62 0.00 0.00 43.42 40.61 1sx4 n LEU 27 CO 0.49 1.15 2.05 1.07 -1.22 0.00 0.00 177.39 180.93 1sx4 n THR 28 N 4.17 0.01 -1.67 -5.08 5.66 -1.26 -4.84 114.28 111.27 1sx4 n THR 28 Ca 0.44 -0.16 -0.39 0.00 -3.05 0.00 0.00 64.05 60.88 1sx4 n THR 28 Cb 0.38 -1.02 0.04 0.00 -1.55 0.00 0.00 70.33 68.18 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 6.61 0.21 3.68 1.09 0.00 -1.26 -4.67 105.19 110.86 1sx4 n GLY 29 Ca 0.56 0.02 -0.55 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.47 2.40 -1.80 1.61 7.64 -1.26 -4.87 113.62 116.88 1sx4 n SER 30 Ca 0.11 1.07 0.07 0.00 1.01 0.00 0.00 58.87 61.13 1sx4 n SER 30 Cb 0.44 -1.20 0.39 0.00 -1.01 0.00 0.00 64.21 62.83 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 4.84 3.83 -2.81 -0.43 0.00 -1.26 -4.91 120.51 119.76 1sx4 n ALA 31 Ca 0.24 -1.98 -0.06 0.00 0.00 0.00 0.00 53.44 51.64 1sx4 n ALA 31 Cb 0.17 -1.09 0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 0.49 -2.20 -3.13 0.00 0.00 -1.26 -5.10 120.51 109.31 1sx4 n ALA 32 Ca 0.28 0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.64 1sx4 n ALA 32 Cb 1.18 -2.84 -0.06 0.00 0.00 0.00 0.00 19.45 17.72 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 -3.14 -0.95 0.44 0.00 0.00 -1.26 -5.19 121.76 111.65 1sx4 s ALA 33 Ca 0.17 0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.44 1sx4 s ALA 33 Cb -0.02 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1sx4 s ALA 33 CO 0.59 -0.46 0.14 0.21 0.00 0.00 0.00 175.76 176.25 1sx4 s LYS 34 N -2.53 2.17 0.24 0.00 2.47 -1.26 -4.42 119.74 116.40 1sx4 s LYS 34 Ca -0.05 -2.01 -0.08 0.00 -1.56 0.00 0.00 55.97 52.27 1sx4 s LYS 34 Cb -0.01 -1.85 -0.06 0.00 -1.46 0.00 0.00 37.83 34.45 1sx4 s LYS 34 CO -0.03 -0.20 0.53 0.45 0.16 0.00 0.00 175.35 176.27 1sx4 s SER 35 N -3.90 6.55 0.00 1.43 0.15 -1.26 -4.78 113.70 111.89 1sx4 s SER 35 Ca 0.33 0.82 0.08 0.00 0.70 0.00 0.00 55.95 57.88 1sx4 s SER 35 Cb 0.04 -2.19 0.06 0.00 -1.71 0.00 0.00 66.02 62.23 1sx4 s SER 35 CO 0.18 -0.10 0.74 0.35 1.20 0.00 0.00 173.24 175.61 1sx4 n THR 36 N -0.37 0.00 -3.10 6.45 -2.24 -1.26 -4.85 114.28 108.92 1sx4 n THR 36 Ca -0.00 -0.50 -0.27 0.00 -2.27 0.00 0.00 64.05 61.01 1sx4 n THR 36 Cb 0.53 1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 69.90 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 -0.63 3.57 -0.14 -0.78 3.00 -1.26 -1.33 118.95 121.38 1sx4 s ARG 37 Ca 0.09 -0.01 -0.32 0.00 0.00 0.00 0.00 55.73 55.49 1sx4 s ARG 37 Cb 0.06 -2.55 0.13 0.00 0.00 0.00 0.00 34.95 32.60 1sx4 s ARG 37 CO 0.09 0.05 1.10 0.20 0.00 0.00 0.00 175.30 176.74 1sx4 s GLY 38 N -3.74 -0.30 -0.15 -3.53 0.00 -0.21 -2.43 107.32 96.97 1sx4 s GLY 38 Ca 0.44 1.65 -0.08 0.00 0.00 0.00 0.00 44.72 46.74 1sx4 s GLY 38 CO 0.37 0.64 0.12 1.85 0.00 0.00 0.00 173.10 176.07 1sx4 s GLU 39 N -2.21 3.72 -0.20 2.90 2.12 0.14 -0.19 118.70 124.98 1sx4 s GLU 39 Ca 0.06 -0.21 -0.26 0.00 0.36 0.00 0.00 54.97 54.92 1sx4 s GLU 39 Cb -0.01 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 1sx4 s GLU 39 CO -0.05 0.55 0.88 0.08 -0.54 0.00 0.00 175.26 176.19 1sx4 s VAL 40 N -0.39 4.82 -0.27 3.70 1.01 -0.53 0.33 120.40 129.06 1sx4 s VAL 40 Ca 0.11 1.72 -0.12 0.00 0.00 0.00 0.00 61.98 63.69 1sx4 s VAL 40 Cb -0.12 -4.18 -0.13 0.00 0.00 0.00 0.00 36.38 31.96 1sx4 s VAL 40 CO 0.01 -0.05 -0.34 0.18 0.00 0.00 0.00 175.10 174.91 1sx4 n LEU 41 N 5.70 2.08 -4.12 3.92 4.77 0.27 0.26 117.00 129.88 1sx4 n LEU 41 Ca 0.07 0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 56.23 1sx4 n LEU 41 Cb 0.48 -0.82 -0.10 0.00 -2.33 0.00 0.00 43.42 40.65 1sx4 n LEU 41 CO 0.49 0.62 -0.37 0.00 -1.33 0.00 0.00 177.39 176.80 1sx4 s ALA 42 N -2.50 0.72 -0.01 -1.18 0.00 -0.57 -4.66 121.76 113.55 1sx4 s ALA 42 Ca -0.38 -1.24 0.05 0.00 0.00 0.00 0.00 51.96 50.39 1sx4 s ALA 42 Cb 0.14 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 1sx4 s ALA 42 CO 0.50 -0.29 -0.16 0.08 0.00 0.00 0.00 175.76 175.89 1sx4 s VAL 43 N -3.63 1.26 0.39 0.00 1.01 -1.26 -0.65 120.40 117.52 1sx4 s VAL 43 Ca 0.08 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 1sx4 s VAL 43 Cb 0.06 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.31 1sx4 s VAL 43 CO -0.07 0.35 0.79 -0.83 0.00 0.00 0.00 175.10 175.34 1sx4 s GLY 44 N -0.38 2.12 0.29 4.51 0.00 -0.91 -4.59 107.32 108.36 1sx4 s GLY 44 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 44.72 44.73 1sx4 s GLY 44 CO -0.01 0.16 1.60 3.43 0.00 0.00 0.00 173.10 178.29 1sx4 h ASN 45 N 1.62 -0.36 -3.37 1.64 2.35 -1.90 -3.37 115.58 112.19 1sx4 h ASN 45 Ca -0.47 0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1sx4 h ASN 45 Cb 1.18 0.41 0.00 0.00 0.05 0.00 0.00 38.32 39.96 1sx4 h ASN 45 CO 0.64 -0.27 0.00 0.61 -1.65 0.00 0.00 177.43 176.76 1sx4 n GLY 46 N -1.45 3.79 3.62 2.83 0.00 -1.26 -4.12 105.19 108.59 1sx4 n GLY 46 Ca 0.20 -1.48 -0.46 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.84 1.58 -0.02 1.61 0.63 -1.14 -3.90 116.66 113.58 1sx4 n ARG 47 Ca 0.00 0.56 0.10 0.00 -0.92 0.00 0.00 57.85 57.59 1sx4 n ARG 47 Cb 0.00 -2.08 -0.17 0.00 0.45 0.00 0.00 32.46 30.66 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 1.16 0.09 -0.71 5.15 5.41 -1.26 -2.60 119.36 126.60 1sx4 n ILE 48 Ca 0.11 -0.52 -0.24 0.00 1.00 0.00 0.00 62.75 63.11 1sx4 n ILE 48 Cb 0.30 -0.03 -0.01 0.00 -0.71 0.00 0.00 39.64 39.19 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 -2.29 -0.98 -2.23 1.39 4.77 -1.26 -3.47 117.00 112.94 1sx4 n LEU 49 Ca -0.06 0.52 -0.15 0.00 -0.03 0.00 0.00 56.01 56.30 1sx4 n LEU 49 Cb 0.60 -0.48 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1sx4 n LEU 49 CO 0.46 -1.81 0.08 1.21 -1.33 0.00 0.00 177.39 176.00 1sx4 n GLU 50 N 0.59 -4.10 0.00 3.23 2.13 -1.26 -4.76 120.64 116.46 1sx4 n GLU 50 Ca 0.08 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1sx4 n GLU 50 Cb 0.16 -4.68 0.00 0.00 0.27 0.00 0.00 31.44 27.19 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 -1.15 0.00 -2.85 4.31 5.15 -1.23 -4.82 115.26 114.68 1sx4 n ASN 51 Ca -0.03 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.67 1sx4 n ASN 51 Cb 0.56 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 -0.29 0.53 8.20 0.00 -1.26 -4.62 105.19 107.75 1sx4 n GLY 52 Ca 0.00 0.74 0.06 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.94 -3.45 1.61 4.71 -1.26 -4.97 120.64 121.68 1sx4 n GLU 53 Ca 0.41 0.62 -0.17 0.00 -0.01 0.00 0.00 57.16 58.02 1sx4 n GLU 53 Cb 0.01 -1.15 -0.11 0.00 -1.01 0.00 0.00 31.44 29.18 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 -1.39 -0.38 0.15 2.62 1.01 -1.26 -4.80 120.40 116.35 1sx4 s VAL 54 Ca 0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.52 1sx4 s VAL 54 Cb 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.53 1sx4 s VAL 54 CO 0.00 -0.26 0.79 -1.59 0.00 0.00 0.00 175.10 174.04 1sx4 s LYS 55 N 2.37 4.58 1.24 2.72 -2.85 -1.07 -4.94 119.74 121.78 1sx4 s LYS 55 Ca 0.08 1.17 -0.18 0.00 -1.00 0.00 0.00 55.97 56.04 1sx4 s LYS 55 Cb -0.15 -3.28 0.30 0.00 -2.06 0.00 0.00 37.83 32.64 1sx4 s LYS 55 CO -0.18 0.51 1.04 -1.25 0.10 0.00 0.00 175.35 175.57 1sx4 s PRO 56 N -0.94 -1.53 0.14 1.78 0.04 -1.26 -2.89 135.00 130.34 1sx4 s PRO 56 Ca 0.37 0.21 0.02 0.00 0.04 0.00 0.00 61.00 61.64 1sx4 s PRO 56 Cb -0.23 -1.53 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1sx4 s PRO 56 CO 0.26 -3.98 0.29 -0.51 0.04 0.00 0.00 177.00 173.10 1sx4 s LEU 57 N -7.22 4.33 0.00 -3.56 1.43 -1.26 -4.73 118.68 107.67 1sx4 s LEU 57 Ca 0.69 0.22 0.17 0.00 -1.03 0.00 0.00 54.13 54.18 1sx4 s LEU 57 Cb -0.15 -2.95 0.49 0.00 0.03 0.00 0.00 46.19 43.61 1sx4 s LEU 57 CO 0.58 0.06 1.40 0.47 0.23 0.00 0.00 176.35 179.08 1sx4 n ASP 58 N -0.45 2.50 -4.60 2.29 9.92 -1.26 -4.81 116.55 120.14 1sx4 n ASP 58 Ca -0.06 -1.94 -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 -1.45 4.12 0.32 2.53 -7.23 -1.26 -5.13 120.40 112.30 1sx4 s VAL 59 Ca 0.33 -0.30 0.06 0.00 -1.81 0.00 0.00 61.98 60.26 1sx4 s VAL 59 Cb 0.18 -2.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 1sx4 s VAL 59 CO 0.24 0.55 0.46 -1.59 -0.31 0.00 0.00 175.10 174.45 1sx4 s LYS 60 N -0.32 3.16 -0.34 4.82 -2.85 -1.26 -4.97 119.74 117.99 1sx4 s LYS 60 Ca 0.06 -0.97 -0.27 0.00 -1.00 0.00 0.00 55.97 53.78 1sx4 s LYS 60 Cb -0.12 -2.83 -0.05 0.00 -2.06 0.00 0.00 37.83 32.77 1sx4 s LYS 60 CO 0.02 0.10 2.19 0.08 0.10 0.00 0.00 175.35 177.85 1sx4 s VAL 61 N -2.15 3.10 0.00 1.79 1.01 -1.26 -2.49 120.40 120.39 1sx4 s VAL 61 Ca 0.44 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1sx4 s VAL 61 Cb -0.09 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1sx4 s VAL 61 CO 0.31 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1sx4 n GLY 62 N 5.78 0.98 3.76 4.51 0.00 0.14 -5.00 105.19 115.36 1sx4 n GLY 62 Ca 0.30 0.00 -0.32 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 -1.49 4.67 -0.17 1.61 1.01 -1.04 -4.67 116.67 116.59 1sx4 s ASP 63 Ca 0.00 1.96 -0.07 0.00 0.71 0.00 0.00 52.55 55.14 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 -1.93 0.08 -0.63 0.21 0.00 0.00 175.17 172.91 1sx4 s ILE 64 N -2.57 4.98 0.02 0.77 1.01 -1.26 -1.46 121.20 122.69 1sx4 s ILE 64 Ca 0.65 0.03 0.02 0.00 0.00 0.00 0.00 60.65 61.35 1sx4 s ILE 64 Cb -0.20 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 1sx4 s ILE 64 CO 0.49 0.49 -0.08 0.68 0.00 0.00 0.00 174.94 176.52 1sx4 s VAL 65 N 0.08 0.59 -0.26 2.92 -7.23 0.74 -1.98 120.40 115.26 1sx4 s VAL 65 Ca 0.06 -0.67 -0.14 0.00 -1.81 0.00 0.00 61.98 59.42 1sx4 s VAL 65 Cb -0.12 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 1sx4 s VAL 65 CO 0.00 -0.07 0.34 -0.63 -0.31 0.00 0.00 175.10 174.43 1sx4 s ILE 66 N -0.70 5.21 0.43 -0.62 1.01 -1.04 -1.05 121.20 124.44 1sx4 s ILE 66 Ca -0.02 0.51 0.07 0.00 0.00 0.00 0.00 60.65 61.20 1sx4 s ILE 66 Cb -0.06 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1sx4 s ILE 66 CO 0.00 0.19 0.19 0.72 0.00 0.00 0.00 174.94 176.04 1sx4 s PHE 67 N 1.89 2.50 -0.45 3.97 -0.12 -0.44 -1.37 117.98 123.96 1sx4 s PHE 67 Ca 0.14 -0.62 -0.17 0.00 -0.05 0.00 0.00 56.93 56.22 1sx4 s PHE 67 Cb -0.16 -1.94 0.04 0.00 -0.63 0.00 0.00 43.02 40.33 1sx4 s PHE 67 CO 0.10 0.13 0.48 1.21 -0.05 0.00 0.00 175.22 177.09 1sx4 s ASN 68 N -3.93 6.20 -0.37 1.98 3.84 0.23 -4.85 114.94 118.02 1sx4 s ASN 68 Ca 0.39 -0.84 -0.29 0.00 0.21 0.00 0.00 52.86 52.33 1sx4 s ASN 68 Cb 0.03 -2.23 0.01 0.00 -0.55 0.00 0.00 41.25 38.50 1sx4 s ASN 68 CO 0.22 -0.67 1.41 -0.62 -2.79 0.00 0.00 177.10 174.64 1sx4 s ASP 69 N 2.16 6.41 0.00 -4.21 -1.08 -1.26 -4.89 116.67 113.80 1sx4 s ASP 69 Ca 0.11 0.97 0.00 0.00 -0.52 0.00 0.00 52.55 53.11 1sx4 s ASP 69 Cb -0.19 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 1sx4 s ASP 69 CO 0.12 -1.35 0.00 0.61 0.52 0.00 0.00 175.17 175.07 1sx4 n GLY 70 N 4.89 2.88 0.29 2.66 0.00 -1.26 -5.05 105.19 109.60 1sx4 n GLY 70 Ca 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.61 0.00 1.61 3.20 -2.04 -2.77 116.97 117.58 1sx4 h TYR 71 Ca 0.00 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1sx4 h TYR 71 Cb 0.00 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.09 1sx4 h TYR 71 CO 0.00 0.52 0.10 0.78 -1.64 0.00 0.00 178.16 177.92 1sx4 h GLY 72 N 0.80 0.00 -5.50 1.82 0.00 -1.96 -3.43 103.07 94.81 1sx4 h GLY 72 Ca 0.14 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.81 1sx4 h GLY 72 CO -0.01 0.00 -0.43 0.14 0.00 0.00 0.00 176.54 176.25 1sx4 s VAL 73 N -3.84 5.41 0.12 4.60 1.01 -1.05 -4.52 120.40 122.15 1sx4 s VAL 73 Ca -0.03 0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1sx4 s VAL 73 Cb 0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1sx4 s VAL 73 CO 0.28 0.60 -0.17 -0.54 0.00 0.00 0.00 175.10 175.27 1sx4 s LYS 74 N -1.07 1.10 -0.18 2.72 -0.14 -0.83 -4.93 119.74 116.41 1sx4 s LYS 74 Ca 0.17 -1.24 -0.07 0.00 -1.36 0.00 0.00 55.97 53.47 1sx4 s LYS 74 Cb -0.13 -1.15 -0.04 0.00 -1.68 0.00 0.00 37.83 34.83 1sx4 s LYS 74 CO 0.06 0.24 0.05 0.45 -0.76 0.00 0.00 175.35 175.40 1sx4 s SER 75 N -2.30 5.56 0.30 2.83 0.15 -1.26 -1.50 113.70 117.47 1sx4 s SER 75 Ca 0.09 0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.82 1sx4 s SER 75 Cb -0.07 -1.95 -0.02 0.00 -1.71 0.00 0.00 66.02 62.27 1sx4 s SER 75 CO 0.04 0.18 0.32 -1.61 1.20 0.00 0.00 173.24 173.38 1sx4 s GLU 76 N 0.35 1.67 -0.09 5.44 0.41 -0.80 -5.04 118.70 120.63 1sx4 s GLU 76 Ca 0.02 -1.79 -0.02 0.00 -0.41 0.00 0.00 54.97 52.78 1sx4 s GLU 76 Cb -0.12 0.36 0.03 0.00 -1.78 0.00 0.00 34.13 32.62 1sx4 s GLU 76 CO 0.00 -0.64 0.01 0.21 -0.49 0.00 0.00 175.26 174.36 1sx4 s LYS 77 N -3.52 0.56 -0.21 1.61 2.47 -1.26 -2.86 119.74 116.53 1sx4 s LYS 77 Ca 0.36 0.04 0.01 0.00 -1.56 0.00 0.00 55.97 54.82 1sx4 s LYS 77 Cb 0.02 -1.14 0.04 0.00 -1.46 0.00 0.00 37.83 35.29 1sx4 s LYS 77 CO 0.20 -0.37 -0.12 0.42 0.16 0.00 0.00 175.35 175.65 1sx4 s ILE 78 N 1.97 1.81 -0.66 5.43 1.09 -1.12 -4.61 121.20 125.12 1sx4 s ILE 78 Ca 0.04 -1.11 0.00 0.00 -1.10 0.00 0.00 60.65 58.48 1sx4 s ILE 78 Cb -0.13 -1.85 0.00 0.00 -1.06 0.00 0.00 42.46 39.42 1sx4 s ILE 78 CO -0.06 0.20 0.00 0.47 -0.10 0.00 0.00 174.94 175.45 1sx4 n ASP 79 N 4.63 -5.83 -1.35 3.58 8.00 -1.26 -2.54 116.55 121.77 1sx4 n ASP 79 Ca -0.16 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1sx4 n ASP 79 Cb 0.46 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.67 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 -1.10 -1.93 -3.79 -2.24 2.85 -1.26 -5.13 115.26 102.66 1sx4 n ASN 80 Ca -0.06 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.28 1sx4 n ASN 80 Cb 0.55 -0.48 -0.13 0.00 1.24 0.00 0.00 39.78 40.96 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 -3.14 0.14 -0.60 1.20 8.01 -1.05 -5.12 118.70 118.14 1sx4 s GLU 81 Ca 0.00 0.29 -0.27 0.00 0.01 0.00 0.00 54.97 54.99 1sx4 s GLU 81 Cb 0.00 -0.03 0.01 0.00 -4.31 0.00 0.00 34.13 29.80 1sx4 s GLU 81 CO 0.00 -0.08 1.49 -1.21 0.01 0.00 0.00 175.26 175.47 1sx4 s GLU 82 N 0.56 3.15 0.03 1.61 0.41 -1.26 -2.78 118.70 120.42 1sx4 s GLU 82 Ca -0.04 0.39 0.08 0.00 -0.41 0.00 0.00 54.97 54.99 1sx4 s GLU 82 Cb -0.06 -4.19 -0.03 0.00 -1.78 0.00 0.00 34.13 28.08 1sx4 s GLU 82 CO -0.03 -2.13 -0.23 0.14 -0.49 0.00 0.00 175.26 172.52 1sx4 s VAL 83 N 6.62 1.88 0.15 2.63 -7.23 -1.13 -4.24 120.40 119.09 1sx4 s VAL 83 Ca 0.53 -1.24 0.10 0.00 -1.81 0.00 0.00 61.98 59.56 1sx4 s VAL 83 Cb -0.11 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 1sx4 s VAL 83 CO 0.22 0.32 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.41 1sx4 s LEU 84 N -1.09 2.71 -0.39 1.32 1.02 0.12 -1.91 118.68 120.44 1sx4 s LEU 84 Ca 0.09 -0.64 0.02 0.00 0.02 0.00 0.00 54.13 53.62 1sx4 s LEU 84 Cb -0.09 -1.48 0.12 0.00 0.02 0.00 0.00 46.19 44.76 1sx4 s LEU 84 CO 0.01 0.14 0.18 -0.63 0.02 0.00 0.00 176.35 176.07 1sx4 s ILE 85 N -1.44 1.42 0.35 -0.59 1.01 -0.56 -0.71 121.20 120.69 1sx4 s ILE 85 Ca 0.21 -2.24 0.08 0.00 0.00 0.00 0.00 60.65 58.70 1sx4 s ILE 85 Cb -0.09 -2.02 -0.07 0.00 0.01 0.00 0.00 42.46 40.28 1sx4 s ILE 85 CO 0.11 -0.79 -0.05 0.00 0.00 0.00 0.00 174.94 174.21 1sx4 s MET 86 N 0.75 1.81 0.55 2.79 0.23 -1.02 -1.96 119.30 122.45 1sx4 s MET 86 Ca 0.14 -1.96 -0.05 0.00 -1.03 0.00 0.00 55.69 52.79 1sx4 s MET 86 Cb -0.22 -1.56 -0.01 0.00 -1.53 0.00 0.00 34.83 31.52 1sx4 s MET 86 CO -0.08 0.05 0.85 -1.54 -2.03 0.00 0.00 175.02 172.27 1sx4 s SER 87 N -3.61 5.83 0.59 -1.18 1.04 -1.26 0.67 113.70 115.79 1sx4 s SER 87 Ca 0.33 0.76 0.30 0.00 0.48 0.00 0.00 55.95 57.82 1sx4 s SER 87 Cb 0.05 -1.88 1.84 0.00 0.10 0.00 0.00 66.02 66.13 1sx4 s SER 87 CO 0.16 -0.88 2.26 -0.08 0.98 0.00 0.00 173.24 175.68 1sx4 h GLU 88 N -0.01 0.00 -0.64 4.02 4.81 -1.84 0.14 114.58 121.07 1sx4 h GLU 88 Ca -0.46 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 58.96 1sx4 h GLU 88 Cb 1.24 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 1sx4 h GLU 88 CO 0.61 0.00 0.59 0.77 -0.73 0.00 0.00 179.01 180.25 1sx4 h SER 89 N 0.00 0.00 0.28 1.04 0.02 -1.93 -0.84 113.55 112.12 1sx4 h SER 89 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sx4 h SER 89 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1sx4 h SER 89 CO 0.00 0.00 -1.21 0.47 -1.14 0.00 0.00 176.83 174.95 1sx4 n ASP 90 N -3.87 0.57 -4.72 3.07 8.00 0.50 -4.89 116.55 115.22 1sx4 n ASP 90 Ca 0.13 -0.31 -0.41 0.00 0.71 0.00 0.00 54.79 54.91 1sx4 n ASP 90 Cb 0.83 1.06 -0.04 0.00 -0.02 0.00 0.00 41.12 42.94 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 -3.22 4.78 -0.19 0.53 1.01 -0.32 -0.60 121.20 123.18 1sx4 s ILE 91 Ca 0.02 1.91 0.02 0.00 0.00 0.00 0.00 60.65 62.61 1sx4 s ILE 91 Cb 0.14 -4.25 -0.13 0.00 0.01 0.00 0.00 42.46 38.23 1sx4 s ILE 91 CO 0.83 0.24 -0.16 0.18 0.00 0.00 0.00 174.94 176.04 1sx4 n LEU 92 N 3.45 2.77 -3.89 2.97 4.77 -0.47 -4.94 117.00 121.66 1sx4 n LEU 92 Ca 0.03 -0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 55.82 1sx4 n LEU 92 Cb 0.50 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1sx4 n LEU 92 CO 0.50 0.80 0.40 0.00 -1.33 0.00 0.00 177.39 177.77 1sx4 s ALA 93 N -2.39 -0.73 -0.10 -1.18 0.00 -1.08 -5.02 121.76 111.26 1sx4 s ALA 93 Ca -0.25 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1sx4 s ALA 93 Cb 0.07 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.08 1sx4 s ALA 93 CO 0.47 -0.97 -0.10 0.42 0.00 0.00 0.00 175.76 175.58 1sx4 s ILE 94 N -3.42 1.13 -0.20 0.00 1.01 -1.26 -2.48 121.20 115.98 1sx4 s ILE 94 Ca 0.16 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 1sx4 s ILE 94 Cb -0.04 -1.10 -0.00 0.00 0.01 0.00 0.00 42.46 41.33 1sx4 s ILE 94 CO 0.10 0.37 1.12 -0.69 0.00 0.00 0.00 174.94 175.84 1sx4 s VAL 95 N 1.30 4.54 0.00 2.92 1.01 -0.84 -4.97 120.40 124.36 1sx4 s VAL 95 Ca -0.02 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1sx4 s VAL 95 Cb -0.14 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1sx4 s VAL 95 CO -0.04 -0.15 0.00 -0.62 0.00 0.00 0.00 175.10 174.29 1sx4 n GLU 96 N 6.34 2.64 -0.11 2.72 1.02 -1.26 -4.46 120.64 127.52 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