#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1z s LYS 4 N 0.00 2.49 0.05 0.38 0.00 -1.26 -5.02 119.74 116.37 3i1z s LYS 4 Ca 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 55.97 55.21 3i1z s LYS 4 Cb 0.00 -2.48 -0.02 0.00 0.00 0.00 0.00 37.83 35.33 3i1z s LYS 4 CO 0.00 0.58 -0.09 0.14 0.00 0.00 0.00 175.35 175.98 3i1z s VAL 5 N -1.08 0.67 -0.33 1.79 -7.23 -1.26 -5.12 120.40 107.84 3i1z s VAL 5 Ca 0.19 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 3i1z s VAL 5 Cb -0.11 -0.71 0.14 0.00 0.56 0.00 0.00 36.38 36.26 3i1z s VAL 5 CO 0.10 -0.30 0.27 -0.13 -0.31 0.00 0.00 175.10 174.72 3i1z s ARG 6 N -1.51 0.47 0.10 4.82 0.52 -1.26 -5.14 118.95 116.96 3i1z s ARG 6 Ca -0.07 -0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 54.03 3i1z s ARG 6 Cb -0.09 -0.97 -0.06 0.00 0.52 0.00 0.00 34.95 34.35 3i1z s ARG 6 CO 0.01 -1.14 0.97 -1.21 0.02 0.00 0.00 175.30 173.95 3i1z s GLU 7 N 1.61 4.68 0.00 3.54 0.41 -1.26 -5.05 118.70 122.63 3i1z s GLU 7 Ca 0.14 1.46 0.00 0.00 -0.41 0.00 0.00 54.97 56.17 3i1z s GLU 7 Cb -0.18 -3.38 0.00 0.00 -1.78 0.00 0.00 34.13 28.79 3i1z s GLU 7 CO -0.14 0.18 0.00 0.09 -0.49 0.00 0.00 175.26 174.90 3i1z n ASN 8 N 2.90 0.00 0.03 -0.19 5.03 -1.26 -4.96 115.26 116.81 3i1z n ASN 8 Ca 0.03 0.00 -0.21 0.00 0.87 0.00 0.00 54.58 55.27 3i1z n ASN 8 Cb 0.49 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 39.11 3i1z n ASN 8 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 3i1z h GLU 9 N 0.00 0.30 -5.23 3.52 4.11 -2.08 -3.44 114.58 111.77 3i1z h GLU 9 Ca 0.00 -0.52 -0.65 0.00 0.07 0.00 0.00 59.36 58.26 3i1z h GLU 9 Cb 0.00 0.19 -0.16 0.00 0.50 0.00 0.00 28.75 29.28 3i1z h GLU 9 CO 0.00 1.22 0.41 -1.25 0.07 0.00 0.00 179.01 179.46 3i1z s PRO 10 N -2.57 3.10 0.00 1.06 0.05 -1.26 -4.93 135.00 130.44 3i1z s PRO 10 Ca -0.18 -0.96 0.00 0.00 0.05 0.00 0.00 61.00 59.91 3i1z s PRO 10 Cb 0.06 -4.23 0.00 0.00 0.05 0.00 0.00 34.50 30.38 3i1z s PRO 10 CO 0.81 -1.72 0.00 1.97 0.05 0.00 0.00 177.00 178.11 3i1z n PHE 11 N 7.28 0.00 0.00 0.56 1.16 -1.26 -5.02 117.46 120.18 3i1z n PHE 11 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.53 3i1z n PHE 11 Cb 0.45 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.32 3i1z n PHE 11 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 3i1z n ASP 12 N 1.66 0.00 -4.40 5.98 10.43 -1.26 -5.13 116.55 123.83 3i1z n ASP 12 Ca 0.00 0.00 -0.31 0.00 2.57 0.00 0.00 54.79 57.05 3i1z n ASP 12 Cb 0.00 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 42.82 3i1z n ASP 12 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3i1z s VAL 13 N 0.00 2.51 0.10 2.53 0.11 -1.26 -5.06 120.40 119.32 3i1z s VAL 13 Ca 0.00 -1.09 -0.29 0.00 -2.93 0.00 0.00 61.98 57.67 3i1z s VAL 13 Cb 0.00 -1.97 -0.12 0.00 -1.53 0.00 0.00 36.38 32.76 3i1z s VAL 13 CO 0.00 0.48 1.48 0.00 -3.33 0.00 0.00 175.10 173.73 3i1z h ALA 14 N 5.07 -0.87 -5.73 1.54 0.00 -2.04 -3.46 119.26 113.77 3i1z h ALA 14 Ca -0.46 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.05 3i1z h ALA 14 Cb 1.14 0.92 0.15 0.00 0.00 0.00 0.00 17.79 20.00 3i1z h ALA 14 CO 0.47 -1.02 -0.80 1.28 0.00 0.00 0.00 179.25 179.19 3i1z n LEU 15 N -5.04 -4.01 -3.26 0.00 4.77 -1.26 -4.94 117.00 103.26 3i1z n LEU 15 Ca -0.06 -0.68 -0.28 0.00 -0.03 0.00 0.00 56.01 54.96 3i1z n LEU 15 Cb 0.34 -3.03 -0.06 0.00 -2.33 0.00 0.00 43.42 38.34 3i1z n LEU 15 CO 0.09 0.36 0.15 -1.14 -1.33 0.00 0.00 177.39 175.52 3i1z n ARG 16 N -4.06 2.89 0.00 3.23 0.63 -1.26 -4.80 116.66 113.30 3i1z n ARG 16 Ca -0.26 -4.75 0.00 0.00 -0.92 0.00 0.00 57.85 51.92 3i1z n ARG 16 Cb 0.66 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.31 3i1z n ARG 16 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i1z n ARG 17 N 0.44 0.59 0.17 -0.14 1.74 -1.26 -3.19 116.66 115.01 3i1z n ARG 17 Ca 0.31 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.42 3i1z n ARG 17 Cb 0.40 -1.05 0.24 0.00 -1.02 0.00 0.00 32.46 31.03 3i1z n ARG 17 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3i1z h PHE 18 N 0.06 0.00 0.00 -1.55 -0.00 -2.00 -2.99 116.94 110.46 3i1z h PHE 18 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.97 57.75 3i1z h PHE 18 Cb 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 35.96 3i1z h PHE 18 CO 0.00 0.45 -1.37 0.87 -0.00 0.00 0.00 178.31 178.27 3i1z h LYS 19 N 0.00 0.00 -0.94 1.11 1.79 -1.95 -3.14 116.57 113.44 3i1z h LYS 19 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3i1z h LYS 19 Cb 1.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 3i1z h LYS 19 CO 0.06 0.52 0.00 0.54 -1.08 0.00 0.00 179.45 179.49 3i1z n ARG 20 N -3.07 0.63 0.00 3.15 5.12 -1.13 -3.04 116.66 118.32 3i1z n ARG 20 Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 3i1z n ARG 20 Cb 0.93 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.97 3i1z n ARG 20 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3i1z n SER 21 N 0.39 2.24 0.00 0.55 2.88 -1.19 -5.07 113.62 113.44 3i1z n SER 21 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i1z n SER 21 Cb 0.23 0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 3i1z n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1z n GLU 23 N -1.13 2.72 0.00 0.00 1.02 -1.26 -4.09 120.64 117.90 3i1z n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i1z n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i1z n GLU 23 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3i1z n LYS 24 N 0.00 0.00 0.00 3.49 4.81 -1.26 -2.47 118.16 122.73 3i1z n LYS 24 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i1z n LYS 24 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3i1z n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1z n ALA 25 N 10.00 1.88 -0.07 3.14 0.00 -1.26 -1.43 120.51 132.77 3i1z n ALA 25 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3i1z n ALA 25 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 3i1z n ALA 25 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i1z h GLY 26 N 2.62 0.00 0.00 0.00 0.00 -1.63 -3.33 103.07 100.73 3i1z h GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i1z h GLY 26 CO 0.00 0.00 -0.81 -0.62 0.00 0.00 0.00 176.54 175.11 3i1z n VAL 27 N -4.60 0.00 0.03 4.60 0.31 -1.13 -4.49 118.33 113.05 3i1z n VAL 27 Ca -0.13 -0.26 -0.20 0.00 -0.01 0.00 0.00 64.34 63.74 3i1z n VAL 27 Cb 0.44 0.72 -0.14 0.00 -0.91 0.00 0.00 33.84 33.95 3i1z n VAL 27 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i1z h LEU 28 N 0.00 0.45 0.00 7.52 3.38 -1.48 -2.79 115.31 122.38 3i1z h LEU 28 Ca 0.00 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.14 3i1z h LEU 28 Cb 0.29 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3i1z h LEU 28 CO 0.00 1.72 0.00 0.00 0.09 0.00 0.00 178.44 180.25 3i1z n ALA 29 N -2.88 2.39 -0.08 1.53 0.00 -1.25 -3.00 120.51 117.22 3i1z n ALA 29 Ca -0.27 -0.08 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 3i1z n ALA 29 Cb 1.06 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.23 3i1z n ALA 29 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1z n GLU 30 N -0.74 0.41 -3.39 0.00 2.13 -1.24 -4.81 120.64 113.00 3i1z n GLU 30 Ca 0.09 0.09 -0.44 0.00 0.66 0.00 0.00 57.16 57.56 3i1z n GLU 30 Cb 0.04 -1.32 -0.02 0.00 0.27 0.00 0.00 31.44 30.41 3i1z n GLU 30 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i1z s VAL 31 N -2.32 5.54 0.00 6.31 1.01 -1.05 -4.52 120.40 125.37 3i1z s VAL 31 Ca -0.22 -3.06 0.00 0.00 0.00 0.00 0.00 61.98 58.70 3i1z s VAL 31 Cb 0.06 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 32.05 3i1z s VAL 31 CO 0.37 -1.09 0.49 -1.14 0.00 0.00 0.00 175.10 173.73 3i1z n ARG 32 N 3.22 0.00 0.00 2.72 0.63 -1.26 -4.87 116.66 117.10 3i1z n ARG 32 Ca 0.19 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 3i1z n ARG 32 Cb 0.42 -0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 3i1z n ARG 32 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3i1z n ARG 33 N 0.00 0.00 -0.84 -0.14 0.63 -1.26 -5.17 116.66 109.88 3i1z n ARG 33 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 3i1z n ARG 33 Cb 0.50 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.44 3i1z n ARG 33 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i1z n ARG 34 N 0.00 0.00 -2.73 -0.14 1.74 -1.26 -4.82 116.66 109.44 3i1z n ARG 34 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 3i1z n ARG 34 Cb 0.00 -0.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 3i1z n ARG 34 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i1z n GLU 35 N 1.83 3.30 0.00 5.56 -0.58 -1.26 -4.93 120.64 124.56 3i1z n GLU 35 Ca 0.00 -3.57 0.00 0.00 -0.42 0.00 0.00 57.16 53.17 3i1z n GLU 35 Cb 0.43 -3.22 0.00 0.00 -0.57 0.00 0.00 31.44 28.08 3i1z n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3i1z n PHE 36 N 6.64 0.00 0.00 -0.32 3.72 -1.26 -4.74 117.46 121.50 3i1z n PHE 36 Ca 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.82 3i1z n PHE 36 Cb 0.43 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 3i1z n PHE 36 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3i1z n TYR 37 N -0.98 0.00 -0.70 1.38 4.02 -1.26 -2.76 117.16 116.85 3i1z n TYR 37 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.70 3i1z n TYR 37 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.43 3i1z n TYR 37 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3i1z n GLU 38 N 0.00 1.96 -0.06 -0.72 4.07 -1.26 -4.16 120.64 120.46 3i1z n GLU 38 Ca 0.00 -2.16 -0.04 0.00 -0.06 0.00 0.00 57.16 54.90 3i1z n GLU 38 Cb 0.00 -1.85 -0.03 0.00 -0.06 0.00 0.00 31.44 29.50 3i1z n GLU 38 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 3i1z h LYS 39 N 0.97 0.00 0.00 5.31 1.63 -1.88 -3.36 116.57 119.24 3i1z h LYS 39 Ca 0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.24 3i1z h LYS 39 Cb 1.93 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.56 3i1z h LYS 39 CO 0.87 0.20 0.38 -1.00 -3.45 0.00 0.00 179.45 176.45 3i1z h PRO 40 N -1.00 0.00 0.00 1.90 0.13 -1.86 0.82 132.00 131.98 3i1z h PRO 40 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3i1z h PRO 40 Cb 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.44 3i1z h PRO 40 CO -0.01 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.01 3i1z n THR 41 N -2.70 1.24 -0.01 1.56 -2.24 -1.26 -0.91 114.28 109.96 3i1z n THR 41 Ca -0.02 0.54 -0.00 0.00 -2.27 0.00 0.00 64.05 62.30 3i1z n THR 41 Cb 0.42 -1.50 -0.02 0.00 -2.10 0.00 0.00 70.33 67.13 3i1z n THR 41 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i1z n THR 42 N -2.00 0.11 0.00 4.28 -2.24 0.28 -4.52 114.28 110.19 3i1z n THR 42 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3i1z n THR 42 Cb 0.08 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 3i1z n THR 42 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i1z n GLU 43 N -1.89 0.00 0.00 -0.78 1.02 -0.88 -3.14 120.64 114.97 3i1z n GLU 43 Ca -0.03 0.08 0.01 0.00 -0.02 0.00 0.00 57.16 57.20 3i1z n GLU 43 Cb 0.37 -0.56 0.03 0.00 -0.02 0.00 0.00 31.44 31.27 3i1z n GLU 43 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i1z n ARG 44 N -0.80 0.16 -0.09 3.49 3.00 -0.09 -1.34 116.66 121.00 3i1z n ARG 44 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.71 3i1z n ARG 44 Cb 0.00 -1.11 -0.06 0.00 0.00 0.00 0.00 32.46 31.29 3i1z n ARG 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3i1z n LYS 45 N -0.61 0.51 0.00 5.56 3.00 -0.98 -4.16 118.16 121.48 3i1z n LYS 45 Ca 0.01 0.54 0.11 0.00 -0.00 0.00 0.00 58.31 58.96 3i1z n LYS 45 Cb 0.00 -1.71 0.57 0.00 0.00 0.00 0.00 35.03 33.90 3i1z n LYS 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3i1z n ARG 46 N -4.52 0.39 0.00 1.64 0.63 -0.55 -2.55 116.66 111.69 3i1z n ARG 46 Ca -0.20 0.07 0.12 0.00 -0.92 0.00 0.00 57.85 56.92 3i1z n ARG 46 Cb 0.47 -1.50 0.66 0.00 0.45 0.00 0.00 32.46 32.54 3i1z n ARG 46 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1z n ALA 47 N -1.23 2.30 -0.01 5.13 0.00 -0.45 -1.20 120.51 125.06 3i1z n ALA 47 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i1z n ALA 47 Cb 0.16 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 3i1z n ALA 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1z n LYS 48 N -1.23 2.04 -0.09 0.00 3.00 -1.06 -3.96 118.16 116.87 3i1z n LYS 48 Ca 0.13 -0.01 0.02 0.00 -0.00 0.00 0.00 58.31 58.46 3i1z n LYS 48 Cb 0.18 -1.05 0.34 0.00 0.00 0.00 0.00 35.03 34.50 3i1z n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1z h ALA 49 N 0.14 1.59 0.03 3.14 0.00 -1.40 -2.35 119.26 120.41 3i1z h ALA 49 Ca -0.03 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 3i1z h ALA 49 Cb 0.66 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3i1z h ALA 49 CO 0.00 0.38 -1.38 0.77 0.00 0.00 0.00 179.25 179.02 3i1z h SER 50 N 0.76 0.08 -0.87 0.00 0.02 -1.39 -3.38 113.55 108.76 3i1z h SER 50 Ca 0.20 -0.12 -0.74 0.00 -0.84 0.00 0.00 61.79 60.30 3i1z h SER 50 Cb -0.08 -0.03 -0.11 0.00 0.14 0.00 0.00 62.40 62.33 3i1z h SER 50 CO -0.04 1.10 2.47 0.00 -1.14 0.00 0.00 176.83 179.22 3i1z n ALA 51 N -2.49 5.60 -1.01 3.77 0.00 -0.88 -4.48 120.51 121.02 3i1z n ALA 51 Ca -0.10 -4.14 0.00 0.00 0.00 0.00 0.00 53.44 49.21 3i1z n ALA 51 Cb 1.00 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 17.29 3i1z n ALA 51 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3i1z n VAL 52 N 3.79 0.00 -0.49 0.00 3.14 -1.24 -4.81 118.33 118.73 3i1z n VAL 52 Ca 0.46 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.84 3i1z n VAL 52 Cb 0.36 -0.05 0.00 0.00 -1.06 0.00 0.00 33.84 33.09 3i1z n VAL 52 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66