#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 5.30 0.20 3.17 4.22 -1.26 -4.68 114.94 121.89 1sx4 s ASN 2 Ca 0.00 -0.67 0.07 0.00 -2.14 0.00 0.00 52.86 50.12 1sx4 s ASN 2 Cb 0.00 -0.08 -0.04 0.00 1.28 0.00 0.00 41.25 42.41 1sx4 s ASN 2 CO 0.00 -1.13 0.07 -0.63 -2.04 0.00 0.00 177.10 173.37 1sx4 s ILE 3 N -2.56 4.00 -0.33 0.54 1.09 -1.26 -5.11 121.20 117.58 1sx4 s ILE 3 Ca 0.59 -1.41 -0.02 0.00 -1.10 0.00 0.00 60.65 58.72 1sx4 s ILE 3 Cb -0.07 -3.07 0.12 0.00 -1.06 0.00 0.00 42.46 38.37 1sx4 s ILE 3 CO 0.37 -0.20 0.17 -0.60 -0.10 0.00 0.00 174.94 174.58 1sx4 s ARG 4 N -3.26 0.49 0.43 2.79 6.06 -1.26 -4.95 118.95 119.24 1sx4 s ARG 4 Ca 0.30 -1.03 -0.25 0.00 -2.50 0.00 0.00 55.73 52.26 1sx4 s ARG 4 Cb -0.09 -1.42 -0.08 0.00 0.06 0.00 0.00 34.95 33.42 1sx4 s ARG 4 CO 0.21 -1.10 1.23 -1.25 -2.50 0.00 0.00 175.30 171.89 1sx4 s PRO 5 N 1.50 3.88 -0.23 5.12 0.04 -1.26 -4.95 135.00 139.10 1sx4 s PRO 5 Ca 0.13 1.96 -0.25 0.00 0.04 0.00 0.00 61.00 62.88 1sx4 s PRO 5 Cb -0.20 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 1sx4 s PRO 5 CO -0.18 -0.51 0.85 -1.17 0.04 0.00 0.00 177.00 176.04 1sx4 s LEU 6 N -2.68 4.10 0.00 -3.56 1.98 -1.26 -4.26 118.68 113.00 1sx4 s LEU 6 Ca 0.60 1.10 0.00 0.00 -2.89 0.00 0.00 54.13 52.94 1sx4 s LEU 6 Cb -0.33 -3.24 0.00 0.00 0.66 0.00 0.00 46.19 43.28 1sx4 s LEU 6 CO 0.42 -0.51 0.00 0.00 -1.89 0.00 0.00 176.35 174.37 1sx4 n HIS 7 N 5.90 0.00 0.00 5.38 1.44 -1.26 -2.64 115.22 124.04 1sx4 n HIS 7 Ca 0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 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 0.57 0.00 -4.77 4.39 2.03 -1.26 -4.60 116.55 112.92 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 3.94 -0.03 -0.67 1.81 -1.08 -2.48 118.95 120.44 1sx4 s ARG 9 Ca 0.00 1.85 0.06 0.00 -1.72 0.00 0.00 55.73 55.91 1sx4 s ARG 9 Cb 0.00 -2.59 -0.01 0.00 -0.45 0.00 0.00 34.95 31.90 1sx4 s ARG 9 CO 0.00 -0.42 -0.20 0.08 -0.68 0.00 0.00 175.30 174.08 1sx4 s VAL 10 N -1.44 1.65 -0.36 3.52 1.01 0.38 -2.60 120.40 122.56 1sx4 s VAL 10 Ca 0.59 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 1sx4 s VAL 10 Cb -0.31 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1sx4 s VAL 10 CO 0.38 0.47 0.23 -0.63 0.00 0.00 0.00 175.10 175.55 1sx4 s ILE 11 N -0.27 4.97 0.27 2.22 1.01 0.30 -2.39 121.20 127.31 1sx4 s ILE 11 Ca 0.02 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.23 1sx4 s ILE 11 Cb -0.10 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1sx4 s ILE 11 CO 0.01 -0.13 -0.12 0.68 0.00 0.00 0.00 174.94 175.39 1sx4 s VAL 12 N 1.65 1.94 -0.04 2.92 -7.23 0.40 1.00 120.40 121.04 1sx4 s VAL 12 Ca 0.05 -2.22 0.07 0.00 -1.81 0.00 0.00 61.98 58.06 1sx4 s VAL 12 Cb -0.18 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 1sx4 s VAL 12 CO 0.09 -0.39 -0.24 -1.59 -0.31 0.00 0.00 175.10 172.65 1sx4 s LYS 13 N -3.64 2.25 0.79 4.82 -2.85 0.13 0.34 119.74 121.58 1sx4 s LYS 13 Ca 0.28 -0.87 -0.11 0.00 -1.00 0.00 0.00 55.97 54.27 1sx4 s LYS 13 Cb 0.00 -2.01 0.06 0.00 -2.06 0.00 0.00 37.83 33.83 1sx4 s LYS 13 CO 0.12 0.43 1.09 0.50 0.10 0.00 0.00 175.35 177.59 1sx4 s ARG 14 N -0.32 2.16 0.00 1.78 3.52 -1.26 -0.90 118.95 123.94 1sx4 s ARG 14 Ca 0.02 0.84 0.00 0.00 -0.13 0.00 0.00 55.73 56.46 1sx4 s ARG 14 Cb -0.12 -1.91 0.00 0.00 -1.56 0.00 0.00 34.95 31.36 1sx4 s ARG 14 CO 0.02 -1.62 0.00 1.63 -0.81 0.00 0.00 175.30 174.52 1sx4 n LYS 15 N -3.46 2.19 -2.05 5.12 5.02 -0.99 -4.79 118.16 119.19 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 -1.64 3.92 -0.14 1.97 0.41 -1.26 -4.54 118.70 117.42 1sx4 s GLU 16 Ca 0.00 1.88 -0.07 0.00 -0.41 0.00 0.00 54.97 56.38 1sx4 s GLU 16 Cb 0.00 -4.03 -0.07 0.00 -1.78 0.00 0.00 34.13 28.25 1sx4 s GLU 16 CO 0.00 -1.15 1.03 0.28 -0.49 0.00 0.00 175.26 174.93 1sx4 n VAL 17 N 6.10 0.00 -2.90 2.63 0.31 -1.26 -2.85 118.33 120.35 1sx4 n VAL 17 Ca 0.19 -0.39 -0.02 0.00 -0.01 0.00 0.00 64.34 64.11 1sx4 n VAL 17 Cb 0.44 -0.46 0.01 0.00 -0.91 0.00 0.00 33.84 32.93 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 4.98 -1.30 -1.59 5.55 1.02 -1.26 -4.86 120.64 123.19 1sx4 n GLU 18 Ca 0.10 1.28 -0.56 0.00 -0.02 0.00 0.00 57.16 57.96 1sx4 n GLU 18 Cb 0.40 -5.26 -0.08 0.00 -0.02 0.00 0.00 31.44 26.49 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 -1.90 0.25 -1.87 2.62 -1.04 -1.13 -4.73 114.28 106.48 1sx4 n THR 19 Ca -0.01 -0.11 -0.22 0.00 -2.04 0.00 0.00 64.05 61.67 1sx4 n THR 19 Cb 0.52 -1.29 -0.07 0.00 -1.82 0.00 0.00 70.33 67.67 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 4.62 2.11 0.00 -2.82 3.01 -1.26 -3.66 119.74 121.74 1sx4 s LYS 20 Ca 1.04 -0.26 0.00 0.00 -1.01 0.00 0.00 55.97 55.74 1sx4 s LYS 20 Cb -1.04 -5.01 0.00 0.00 -1.01 0.00 0.00 37.83 30.77 1sx4 s LYS 20 CO 0.61 -4.05 0.00 -1.13 0.51 0.00 0.00 175.35 171.28 1sx4 n SER 21 N 16.06 0.00 -3.90 2.83 3.41 -1.26 -4.63 113.62 126.13 1sx4 n SER 21 Ca 0.43 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.58 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 -0.94 -2.91 0.00 7.33 0.00 -1.24 -1.35 120.51 121.40 1sx4 n ALA 22 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1sx4 n ALA 22 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 1.57 2.44 0.00 0.00 0.00 -1.26 -4.58 105.19 103.36 1sx4 n GLY 23 Ca 0.17 -0.57 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 -0.38 0.21 -0.02 0.00 -0.45 -4.91 105.19 99.64 1sx4 n GLY 24 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 0.59 -3.27 -0.61 2.04 -1.88 -3.45 117.51 110.93 1sx4 h ILE 25 Ca 0.00 -1.29 -0.58 0.00 1.00 0.00 0.00 64.86 64.00 1sx4 h ILE 25 Cb 0.00 1.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.89 1sx4 h ILE 25 CO 0.00 0.26 0.47 -0.69 0.00 0.00 0.00 178.15 178.19 1sx4 s VAL 26 N -3.54 4.84 -1.34 1.67 1.01 -1.26 -4.96 120.40 116.82 1sx4 s VAL 26 Ca 0.01 1.73 -0.12 0.00 0.00 0.00 0.00 61.98 63.60 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 0.66 -0.01 1.96 0.18 0.00 0.00 0.00 175.10 177.89 1sx4 n LEU 27 N 5.41 6.53 -4.46 3.92 4.32 -1.26 -4.00 117.00 127.46 1sx4 n LEU 27 Ca 0.06 -4.41 -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 40.59 1sx4 n LEU 27 CO 0.49 1.17 2.09 1.07 -1.22 0.00 0.00 177.39 180.99 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 -0.11 -0.40 0.00 -3.05 0.00 0.00 64.05 60.93 1sx4 n THR 28 Cb 0.38 -0.85 0.03 0.00 -1.55 0.00 0.00 70.33 68.34 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 0.13 3.69 1.09 0.00 -1.26 -4.68 105.19 110.78 1sx4 n GLY 29 Ca 0.59 0.08 -0.55 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.08 2.46 -1.80 1.61 7.64 -1.26 -4.87 113.62 117.32 1sx4 n SER 30 Ca 0.10 1.07 0.08 0.00 1.01 0.00 0.00 58.87 61.12 1sx4 n SER 30 Cb 0.42 -1.19 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 5.14 3.65 -2.62 -0.43 0.00 -1.26 -4.92 120.51 120.07 1sx4 n ALA 31 Ca 0.25 -1.84 -0.06 0.00 0.00 0.00 0.00 53.44 51.79 1sx4 n ALA 31 Cb 0.16 -1.09 0.03 0.00 0.00 0.00 0.00 19.45 18.55 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 0.76 -1.99 -3.15 0.00 0.00 -1.26 -5.11 120.51 109.76 1sx4 n ALA 32 Ca 0.27 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.64 1sx4 n ALA 32 Cb 1.11 -2.71 -0.07 0.00 0.00 0.00 0.00 19.45 17.78 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 -3.15 -0.87 0.39 0.00 0.00 -1.26 -5.20 121.76 111.68 1sx4 s ALA 33 Ca 0.17 0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.47 1sx4 s ALA 33 Cb -0.02 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 1sx4 s ALA 33 CO 0.50 -0.38 0.13 0.21 0.00 0.00 0.00 175.76 176.23 1sx4 s LYS 34 N -2.07 2.19 0.25 0.00 2.47 -1.26 -4.42 119.74 116.89 1sx4 s LYS 34 Ca -0.08 -1.82 -0.12 0.00 -1.56 0.00 0.00 55.97 52.38 1sx4 s LYS 34 Cb -0.02 -1.96 -0.08 0.00 -1.46 0.00 0.00 37.83 34.31 1sx4 s LYS 34 CO 0.00 -0.04 0.61 0.45 0.16 0.00 0.00 175.35 176.53 1sx4 s SER 35 N -3.85 6.72 0.00 1.43 0.15 -1.26 -4.82 113.70 112.07 1sx4 s SER 35 Ca 0.39 1.07 0.13 0.00 0.70 0.00 0.00 55.95 58.24 1sx4 s SER 35 Cb 0.03 -2.29 0.08 0.00 -1.71 0.00 0.00 66.02 62.13 1sx4 s SER 35 CO 0.22 -0.09 0.86 0.35 1.20 0.00 0.00 173.24 175.78 1sx4 n THR 36 N -0.04 0.00 -3.11 6.45 -2.24 -1.26 -4.83 114.28 109.24 1sx4 n THR 36 Ca 0.01 -0.48 -0.28 0.00 -2.27 0.00 0.00 64.05 61.03 1sx4 n THR 36 Cb 0.52 1.24 -0.02 0.00 -2.10 0.00 0.00 70.33 69.97 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 -1.15 3.63 -0.11 -0.78 3.00 -1.26 -1.34 118.95 120.94 1sx4 s ARG 37 Ca 0.14 0.10 -0.30 0.00 0.00 0.00 0.00 55.73 55.67 1sx4 s ARG 37 Cb 0.10 -2.54 0.12 0.00 0.00 0.00 0.00 34.95 32.63 1sx4 s ARG 37 CO 0.19 0.07 0.98 0.20 0.00 0.00 0.00 175.30 176.75 1sx4 s GLY 38 N -3.44 -0.34 -0.15 -3.53 0.00 0.02 -2.34 107.32 97.54 1sx4 s GLY 38 Ca 0.46 1.62 -0.13 0.00 0.00 0.00 0.00 44.72 46.67 1sx4 s GLY 38 CO 0.34 0.72 0.27 1.85 0.00 0.00 0.00 173.10 176.27 1sx4 s GLU 39 N -1.99 4.15 -0.12 2.90 2.12 -0.08 -0.34 118.70 125.34 1sx4 s GLU 39 Ca 0.02 0.06 -0.29 0.00 0.36 0.00 0.00 54.97 55.12 1sx4 s GLU 39 Cb -0.01 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 1sx4 s GLU 39 CO -0.03 0.33 1.05 0.08 -0.54 0.00 0.00 175.26 176.15 1sx4 s VAL 40 N 0.21 4.66 -0.23 3.70 1.01 -0.56 0.19 120.40 129.38 1sx4 s VAL 40 Ca 0.16 1.95 -0.03 0.00 0.00 0.00 0.00 61.98 64.06 1sx4 s VAL 40 Cb -0.13 -4.25 -0.13 0.00 0.00 0.00 0.00 36.38 31.86 1sx4 s VAL 40 CO 0.04 -0.03 -0.23 0.18 0.00 0.00 0.00 175.10 175.05 1sx4 n LEU 41 N 5.33 2.57 -4.02 3.92 4.77 0.28 -0.28 117.00 129.56 1sx4 n LEU 41 Ca 0.10 0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 56.01 1sx4 n LEU 41 Cb 0.48 -0.76 -0.09 0.00 -2.33 0.00 0.00 43.42 40.72 1sx4 n LEU 41 CO 0.53 0.76 -0.23 0.00 -1.33 0.00 0.00 177.39 177.11 1sx4 s ALA 42 N -2.44 0.33 -0.00 -1.18 0.00 -0.55 -4.70 121.76 113.21 1sx4 s ALA 42 Ca -0.31 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.61 1sx4 s ALA 42 Cb 0.09 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 1sx4 s ALA 42 CO 0.49 -0.47 -0.11 0.08 0.00 0.00 0.00 175.76 175.74 1sx4 s VAL 43 N -3.94 0.88 0.27 0.00 1.01 -1.26 -0.54 120.40 116.82 1sx4 s VAL 43 Ca 0.12 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 1sx4 s VAL 43 Cb 0.06 -0.74 -0.07 0.00 0.00 0.00 0.00 36.38 35.63 1sx4 s VAL 43 CO -0.06 0.22 0.62 -0.83 0.00 0.00 0.00 175.10 175.04 1sx4 s GLY 44 N -0.34 2.22 0.27 4.51 0.00 -1.07 -4.60 107.32 108.30 1sx4 s GLY 44 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.53 1sx4 s GLY 44 CO -0.00 -0.06 1.40 0.70 0.00 0.00 0.00 173.10 175.13 1sx4 n ASN 45 N -0.39 -0.18 0.00 1.64 3.02 -1.26 -4.21 115.26 113.88 1sx4 n ASN 45 Ca 0.01 1.52 0.00 0.00 -0.03 0.00 0.00 54.58 56.08 1sx4 n ASN 45 Cb 0.53 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1sx4 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sx4 n GLY 46 N -1.49 4.39 3.58 7.41 0.00 -1.26 -4.20 105.19 113.61 1sx4 n GLY 46 Ca 0.19 -1.37 -0.47 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.92 1.18 -0.01 1.61 0.63 -1.13 -4.09 116.66 112.94 1sx4 n ARG 47 Ca 0.00 0.42 0.05 0.00 -0.92 0.00 0.00 57.85 57.40 1sx4 n ARG 47 Cb 0.00 -1.86 -0.13 0.00 0.45 0.00 0.00 32.46 30.92 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 1.03 0.53 -0.64 5.15 5.41 -1.26 -2.52 119.36 127.06 1sx4 n ILE 48 Ca 0.13 -0.61 -0.22 0.00 1.00 0.00 0.00 62.75 63.06 1sx4 n ILE 48 Cb 0.27 -0.24 -0.01 0.00 -0.71 0.00 0.00 39.64 38.95 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 -2.50 -0.80 -1.95 1.39 4.77 -1.26 -3.50 117.00 113.16 1sx4 n LEU 49 Ca -0.10 0.49 -0.13 0.00 -0.03 0.00 0.00 56.01 56.23 1sx4 n LEU 49 Cb 0.73 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1sx4 n LEU 49 CO 0.44 -1.55 0.02 1.21 -1.33 0.00 0.00 177.39 176.18 1sx4 n GLU 50 N 0.51 -3.19 0.00 3.23 2.13 -1.26 -4.75 120.64 117.31 1sx4 n GLU 50 Ca 0.08 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1sx4 n GLU 50 Cb 0.14 -4.60 0.00 0.00 0.27 0.00 0.00 31.44 27.24 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 -0.82 0.00 -4.29 4.31 5.15 -1.23 -4.83 115.26 113.54 1sx4 n ASN 51 Ca -0.06 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.50 1sx4 n ASN 51 Cb 0.57 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.68 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 -0.41 1.46 8.20 0.00 -1.26 -4.62 105.19 108.56 1sx4 n GLY 52 Ca 0.00 1.11 0.05 0.00 0.00 0.00 0.00 46.02 47.18 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 8.02 -0.79 -3.37 1.61 4.71 -1.26 -4.98 120.64 124.58 1sx4 n GLU 53 Ca 0.62 0.52 -0.13 0.00 -0.01 0.00 0.00 57.16 58.16 1sx4 n GLU 53 Cb 0.02 -0.97 -0.08 0.00 -1.01 0.00 0.00 31.44 29.39 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 -1.18 -0.50 0.18 2.62 1.01 -1.26 -4.79 120.40 116.48 1sx4 s VAL 54 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 1sx4 s VAL 54 Cb 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 36.38 35.37 1sx4 s VAL 54 CO 0.00 -0.33 0.97 -1.59 0.00 0.00 0.00 175.10 174.15 1sx4 s LYS 55 N 2.45 4.76 1.28 2.72 0.00 -1.05 -4.90 119.74 124.99 1sx4 s LYS 55 Ca 0.10 1.51 -0.18 0.00 0.00 0.00 0.00 55.97 57.40 1sx4 s LYS 55 Cb -0.14 -3.31 0.32 0.00 0.00 0.00 0.00 37.83 34.70 1sx4 s LYS 55 CO -0.27 0.34 0.99 -1.25 0.00 0.00 0.00 175.35 175.16 1sx4 s PRO 56 N -0.65 -1.80 0.10 1.78 0.04 -1.26 -2.83 135.00 130.39 1sx4 s PRO 56 Ca 0.44 0.43 -0.01 0.00 0.04 0.00 0.00 61.00 61.90 1sx4 s PRO 56 Cb -0.26 -1.48 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 1sx4 s PRO 56 CO 0.32 -4.20 0.28 -0.51 0.04 0.00 0.00 177.00 172.93 1sx4 s LEU 57 N -7.44 4.32 0.00 -3.56 1.43 -1.26 -4.74 118.68 107.43 1sx4 s LEU 57 Ca 0.69 0.37 0.17 0.00 -1.03 0.00 0.00 54.13 54.32 1sx4 s LEU 57 Cb -0.18 -3.08 0.60 0.00 0.03 0.00 0.00 46.19 43.56 1sx4 s LEU 57 CO 0.61 0.11 1.44 0.47 0.23 0.00 0.00 176.35 179.21 1sx4 n ASP 58 N 0.07 1.57 -4.59 2.29 9.92 -1.26 -4.80 116.55 119.75 1sx4 n ASP 58 Ca -0.04 -1.79 -0.34 0.00 -0.53 0.00 0.00 54.79 52.08 1sx4 n ASP 58 Cb 0.52 -0.14 -0.11 0.00 -0.64 0.00 0.00 41.12 40.75 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 -1.73 4.00 0.29 2.53 -7.23 -1.26 -5.13 120.40 111.88 1sx4 s VAL 59 Ca 0.28 -0.35 0.06 0.00 -1.81 0.00 0.00 61.98 60.17 1sx4 s VAL 59 Cb 0.15 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 1sx4 s VAL 59 CO 0.22 0.56 0.37 -1.59 -0.31 0.00 0.00 175.10 174.34 1sx4 s LYS 60 N -0.37 3.12 -0.33 4.82 -2.85 -1.26 -4.96 119.74 117.90 1sx4 s LYS 60 Ca 0.06 -0.99 -0.28 0.00 -1.00 0.00 0.00 55.97 53.76 1sx4 s LYS 60 Cb -0.12 -2.74 -0.06 0.00 -2.06 0.00 0.00 37.83 32.84 1sx4 s LYS 60 CO 0.02 0.23 2.30 0.28 0.10 0.00 0.00 175.35 178.28 1sx4 n VAL 61 N -1.46 0.18 0.00 1.79 0.31 -1.26 -2.36 118.33 115.53 1sx4 n VAL 61 Ca -0.04 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1sx4 n VAL 61 Cb 0.58 -2.60 0.00 0.00 -0.91 0.00 0.00 33.84 30.91 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 5.90 1.10 3.77 2.92 0.00 0.62 -5.00 105.19 114.51 1sx4 n GLY 62 Ca 0.33 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.67 4.85 -0.17 1.61 1.01 -0.99 -4.70 116.67 116.60 1sx4 s ASP 63 Ca 0.00 1.89 -0.07 0.00 0.71 0.00 0.00 52.55 55.08 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 -1.80 0.07 -0.63 0.21 0.00 0.00 175.17 173.02 1sx4 s ILE 64 N -2.64 4.87 0.00 0.77 1.01 -1.26 -1.50 121.20 122.45 1sx4 s ILE 64 Ca 0.64 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 61.29 1sx4 s ILE 64 Cb -0.18 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.10 1sx4 s ILE 64 CO 0.49 0.48 -0.03 0.68 0.00 0.00 0.00 174.94 176.56 1sx4 s VAL 65 N 0.20 0.20 -0.31 2.92 -7.23 0.53 -1.47 120.40 115.24 1sx4 s VAL 65 Ca 0.05 -0.24 -0.17 0.00 -1.81 0.00 0.00 61.98 59.81 1sx4 s VAL 65 Cb -0.12 -0.20 -0.02 0.00 0.56 0.00 0.00 36.38 36.60 1sx4 s VAL 65 CO 0.00 -0.02 0.47 -0.63 -0.31 0.00 0.00 175.10 174.61 1sx4 s ILE 66 N -0.27 5.08 0.44 -0.62 1.01 -1.08 -0.80 121.20 124.96 1sx4 s ILE 66 Ca -0.01 0.50 0.07 0.00 0.00 0.00 0.00 60.65 61.20 1sx4 s ILE 66 Cb -0.02 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1sx4 s ILE 66 CO -0.00 -0.05 0.32 0.72 0.00 0.00 0.00 174.94 175.93 1sx4 s PHE 67 N 2.27 2.45 -0.44 3.97 -0.12 -0.45 -1.43 117.98 124.23 1sx4 s PHE 67 Ca 0.18 -0.60 -0.17 0.00 -0.05 0.00 0.00 56.93 56.29 1sx4 s PHE 67 Cb -0.16 -2.05 0.03 0.00 -0.63 0.00 0.00 43.02 40.22 1sx4 s PHE 67 CO 0.11 -0.10 0.45 1.21 -0.05 0.00 0.00 175.22 176.84 1sx4 s ASN 68 N -4.09 6.18 -0.46 1.98 3.84 0.36 -4.85 114.94 117.90 1sx4 s ASN 68 Ca 0.43 -0.82 -0.29 0.00 0.21 0.00 0.00 52.86 52.39 1sx4 s ASN 68 Cb -0.01 -2.22 0.01 0.00 -0.55 0.00 0.00 41.25 38.48 1sx4 s ASN 68 CO 0.25 -0.62 1.39 -0.62 -2.79 0.00 0.00 177.10 174.71 1sx4 s ASP 69 N 2.04 6.29 0.00 -4.21 -1.08 -1.26 -4.89 116.67 113.56 1sx4 s ASP 69 Ca 0.11 0.64 0.00 0.00 -0.52 0.00 0.00 52.55 52.78 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 -1.50 0.00 0.61 0.52 0.00 0.00 175.17 174.92 1sx4 n GLY 70 N 5.12 3.47 0.34 2.66 0.00 -1.26 -5.05 105.19 110.46 1sx4 n GLY 70 Ca 0.15 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 0.75 0.00 1.61 3.20 -2.05 -2.94 116.97 117.54 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 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1sx4 h TYR 71 CO 0.00 0.44 0.11 0.78 -1.64 0.00 0.00 178.16 177.85 1sx4 h GLY 72 N 0.78 0.00 -5.49 1.82 0.00 -1.96 -3.43 103.07 94.79 1sx4 h GLY 72 Ca 0.25 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.92 1sx4 h GLY 72 CO -0.07 0.00 -0.45 0.14 0.00 0.00 0.00 176.54 176.16 1sx4 s VAL 73 N -3.96 5.44 0.09 4.60 1.01 -1.11 -4.49 120.40 121.99 1sx4 s VAL 73 Ca -0.04 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.24 1sx4 s VAL 73 Cb 0.10 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1sx4 s VAL 73 CO 0.31 0.56 -0.19 -0.54 0.00 0.00 0.00 175.10 175.25 1sx4 s LYS 74 N -1.19 1.03 -0.23 2.72 -0.14 -1.01 -4.94 119.74 115.97 1sx4 s LYS 74 Ca 0.18 -1.10 -0.10 0.00 -1.36 0.00 0.00 55.97 53.59 1sx4 s LYS 74 Cb -0.13 -1.21 -0.05 0.00 -1.68 0.00 0.00 37.83 34.76 1sx4 s LYS 74 CO 0.07 0.28 0.15 0.45 -0.76 0.00 0.00 175.35 175.54 1sx4 s SER 75 N -1.85 6.05 0.28 2.83 0.15 -1.26 -1.52 113.70 118.37 1sx4 s SER 75 Ca 0.04 0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.83 1sx4 s SER 75 Cb -0.10 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1sx4 s SER 75 CO 0.04 0.08 0.19 -1.61 1.20 0.00 0.00 173.24 173.14 1sx4 s GLU 76 N 0.95 1.54 -0.13 5.44 0.41 -0.59 -5.04 118.70 121.28 1sx4 s GLU 76 Ca 0.07 -1.87 -0.01 0.00 -0.41 0.00 0.00 54.97 52.75 1sx4 s GLU 76 Cb -0.13 0.16 0.04 0.00 -1.78 0.00 0.00 34.13 32.42 1sx4 s GLU 76 CO 0.03 -0.50 -0.01 0.21 -0.49 0.00 0.00 175.26 174.50 1sx4 s LYS 77 N -3.79 0.91 -0.22 1.61 2.47 -1.26 -2.65 119.74 116.81 1sx4 s LYS 77 Ca 0.38 -0.20 0.02 0.00 -1.56 0.00 0.00 55.97 54.62 1sx4 s LYS 77 Cb 0.05 -1.54 0.04 0.00 -1.46 0.00 0.00 37.83 34.91 1sx4 s LYS 77 CO 0.19 -0.41 -0.14 0.42 0.16 0.00 0.00 175.35 175.58 1sx4 s ILE 78 N 1.84 1.98 -0.42 5.43 1.09 -1.11 -4.60 121.20 125.42 1sx4 s ILE 78 Ca 0.03 -1.22 0.00 0.00 -1.10 0.00 0.00 60.65 58.36 1sx4 s ILE 78 Cb -0.14 -1.97 0.00 0.00 -1.06 0.00 0.00 42.46 39.29 1sx4 s ILE 78 CO -0.07 0.22 0.00 0.47 -0.10 0.00 0.00 174.94 175.46 1sx4 n ASP 79 N 4.57 -5.77 -1.13 3.58 8.00 -1.26 -2.17 116.55 122.36 1sx4 n ASP 79 Ca -0.17 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1sx4 n ASP 79 Cb 0.46 -3.69 0.00 0.00 -0.02 0.00 0.00 41.12 37.87 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 -0.99 -1.74 -3.86 -2.24 2.85 -1.26 -5.13 115.26 102.89 1sx4 n ASN 80 Ca -0.04 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.31 1sx4 n ASN 80 Cb 0.52 -0.43 -0.14 0.00 1.24 0.00 0.00 39.78 40.97 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 -3.05 0.02 -0.65 1.20 8.01 -0.92 -5.12 118.70 118.18 1sx4 s GLU 81 Ca 0.00 0.03 -0.27 0.00 0.01 0.00 0.00 54.97 54.74 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 -0.01 1.41 -1.21 0.01 0.00 0.00 175.26 175.46 1sx4 s GLU 82 N 0.04 3.16 0.05 1.61 0.41 -1.26 -2.74 118.70 119.97 1sx4 s GLU 82 Ca -0.00 0.15 0.09 0.00 -0.41 0.00 0.00 54.97 54.79 1sx4 s GLU 82 Cb -0.01 -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 -0.24 0.14 -0.49 0.00 0.00 175.26 172.53 1sx4 s VAL 83 N 6.31 1.95 0.16 2.63 -7.23 -1.09 -4.20 120.40 118.93 1sx4 s VAL 83 Ca 0.46 -1.32 0.11 0.00 -1.81 0.00 0.00 61.98 59.42 1sx4 s VAL 83 Cb -0.10 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 1sx4 s VAL 83 CO 0.20 0.30 -0.23 -0.76 -0.31 0.00 0.00 175.10 174.29 1sx4 s LEU 84 N -1.23 2.48 -0.42 1.32 1.02 0.15 -1.54 118.68 120.46 1sx4 s LEU 84 Ca 0.10 -0.77 0.02 0.00 0.02 0.00 0.00 54.13 53.50 1sx4 s LEU 84 Cb -0.09 -1.28 0.13 0.00 0.02 0.00 0.00 46.19 44.97 1sx4 s LEU 84 CO 0.02 0.15 0.21 -0.63 0.02 0.00 0.00 176.35 176.12 1sx4 s ILE 85 N -1.41 1.50 0.40 -0.59 1.01 -0.57 -0.45 121.20 121.08 1sx4 s ILE 85 Ca 0.19 -2.46 0.07 0.00 0.00 0.00 0.00 60.65 58.45 1sx4 s ILE 85 Cb -0.09 -2.06 -0.06 0.00 0.01 0.00 0.00 42.46 40.26 1sx4 s ILE 85 CO 0.09 -0.84 0.09 0.00 0.00 0.00 0.00 174.94 174.28 1sx4 s MET 86 N 0.50 2.10 0.43 2.79 0.23 -1.00 -2.42 119.30 121.93 1sx4 s MET 86 Ca 0.16 -1.93 -0.06 0.00 -1.03 0.00 0.00 55.69 52.83 1sx4 s MET 86 Cb -0.23 -1.84 -0.05 0.00 -1.53 0.00 0.00 34.83 31.18 1sx4 s MET 86 CO -0.03 -0.05 0.74 -1.54 -2.03 0.00 0.00 175.02 172.11 1sx4 s SER 87 N -3.80 6.35 0.59 -1.18 1.04 -1.26 0.14 113.70 115.58 1sx4 s SER 87 Ca 0.38 0.93 0.29 0.00 0.48 0.00 0.00 55.95 58.03 1sx4 s SER 87 Cb 0.06 -2.24 1.47 0.00 0.10 0.00 0.00 66.02 65.40 1sx4 s SER 87 CO 0.20 -0.48 1.89 -0.08 0.98 0.00 0.00 173.24 175.76 1sx4 h GLU 88 N 0.68 0.00 -0.30 4.02 4.81 -1.82 0.29 114.58 122.25 1sx4 h GLU 88 Ca -0.47 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.85 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 0.63 0.00 0.38 0.77 -0.73 0.00 0.00 179.01 180.05 1sx4 h SER 89 N 0.00 0.00 0.11 1.04 0.02 -1.93 -1.28 113.55 111.51 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 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1sx4 h SER 89 CO -0.00 0.00 -1.57 0.47 -1.14 0.00 0.00 176.83 174.59 1sx4 n ASP 90 N -3.61 0.38 -4.73 3.07 8.00 0.10 -4.89 116.55 114.87 1sx4 n ASP 90 Ca 0.05 -0.26 -0.41 0.00 0.71 0.00 0.00 54.79 54.87 1sx4 n ASP 90 Cb 0.52 1.51 -0.04 0.00 -0.02 0.00 0.00 41.12 43.09 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 -3.34 4.68 -0.17 0.53 1.01 -0.48 -0.48 121.20 122.94 1sx4 s ILE 91 Ca -0.02 1.96 0.03 0.00 0.00 0.00 0.00 60.65 62.62 1sx4 s ILE 91 Cb 0.14 -4.27 -0.13 0.00 0.01 0.00 0.00 42.46 38.22 1sx4 s ILE 91 CO 0.88 0.28 -0.12 0.18 0.00 0.00 0.00 174.94 176.16 1sx4 n LEU 92 N 3.17 2.43 -3.87 2.97 4.77 -0.51 -4.93 117.00 121.02 1sx4 n LEU 92 Ca 0.02 -0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 55.84 1sx4 n LEU 92 Cb 0.50 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1sx4 n LEU 92 CO 0.50 0.71 0.44 0.00 -1.33 0.00 0.00 177.39 177.72 1sx4 s ALA 93 N -2.35 -0.83 -0.11 -1.18 0.00 -1.09 -5.03 121.76 111.17 1sx4 s ALA 93 Ca -0.20 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1sx4 s ALA 93 Cb 0.06 0.83 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1sx4 s ALA 93 CO 0.43 -0.99 -0.14 0.42 0.00 0.00 0.00 175.76 175.49 1sx4 s ILE 94 N -3.32 1.39 -0.24 0.00 1.01 -1.26 -2.64 121.20 116.15 1sx4 s ILE 94 Ca 0.15 -0.57 -0.29 0.00 0.00 0.00 0.00 60.65 59.94 1sx4 s ILE 94 Cb -0.05 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.14 1sx4 s ILE 94 CO 0.10 0.42 1.05 -0.69 0.00 0.00 0.00 174.94 175.82 1sx4 s VAL 95 N 1.07 4.65 0.00 2.92 1.01 -0.54 -4.98 120.40 124.54 1sx4 s VAL 95 Ca -0.05 1.99 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1sx4 s VAL 95 Cb -0.15 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1sx4 s VAL 95 CO -0.02 -0.21 0.00 -0.62 0.00 0.00 0.00 175.10 174.24 1sx4 n GLU 96 N 6.39 2.89 -0.17 2.72 1.02 -1.26 -4.46 120.64 127.77 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