#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m s LYS 4 N 0.00 3.26 -0.02 0.38 0.00 -1.26 -4.93 119.74 117.18 3i1m s LYS 4 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 55.97 55.65 3i1m s LYS 4 Cb 0.00 -3.00 -0.00 0.00 0.00 0.00 0.00 37.83 34.82 3i1m s LYS 4 CO 0.00 0.69 -0.10 0.14 0.00 0.00 0.00 175.35 176.08 3i1m s VAL 5 N -1.17 0.81 -0.18 1.79 -7.23 -1.26 -5.12 120.40 108.04 3i1m s VAL 5 Ca 0.21 -0.41 -0.00 0.00 -1.81 0.00 0.00 61.98 59.97 3i1m s VAL 5 Cb -0.12 -0.69 0.05 0.00 0.56 0.00 0.00 36.38 36.17 3i1m s VAL 5 CO 0.12 0.24 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.97 3i1m s ARG 6 N -0.07 1.40 -0.09 4.82 0.52 -1.26 -5.13 118.95 119.14 3i1m s ARG 6 Ca 0.01 -0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 54.60 3i1m s ARG 6 Cb -0.06 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 3i1m s ARG 6 CO -0.00 -0.47 0.07 -1.21 0.02 0.00 0.00 175.30 173.71 3i1m s GLU 7 N 1.62 3.19 0.00 3.54 0.41 -1.26 -5.09 118.70 121.11 3i1m s GLU 7 Ca -0.00 -0.30 0.00 0.00 -0.41 0.00 0.00 54.97 54.26 3i1m s GLU 7 Cb -0.16 -2.97 0.00 0.00 -1.78 0.00 0.00 34.13 29.22 3i1m s GLU 7 CO -0.07 0.73 0.00 0.09 -0.49 0.00 0.00 175.26 175.51 3i1m n ASN 8 N 1.93 0.00 -0.09 -0.19 5.03 -1.26 -5.01 115.26 115.67 3i1m n ASN 8 Ca -0.18 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.12 3i1m n ASN 8 Cb 0.54 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.23 3i1m n ASN 8 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 3i1m h GLU 9 N 0.00 0.00 -5.46 3.52 4.11 -2.08 -3.47 114.58 111.20 3i1m h GLU 9 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.82 3i1m h GLU 9 Cb 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 3i1m h GLU 9 CO 0.00 0.57 -0.40 -1.25 0.07 0.00 0.00 179.01 177.99 3i1m s PRO 10 N -2.29 4.08 0.00 1.06 0.05 -1.26 -4.99 135.00 131.65 3i1m s PRO 10 Ca -0.22 -0.04 0.00 0.00 0.05 0.00 0.00 61.00 60.79 3i1m s PRO 10 Cb 0.04 -3.37 0.00 0.00 0.05 0.00 0.00 34.50 31.22 3i1m s PRO 10 CO 0.43 0.37 0.00 1.97 0.05 0.00 0.00 177.00 179.82 3i1m n PHE 11 N 3.20 0.00 0.00 0.56 1.16 -1.26 -5.07 117.46 116.05 3i1m n PHE 11 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.43 3i1m n PHE 11 Cb 0.52 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 3i1m n PHE 11 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 3i1m n ASP 12 N 3.00 0.00 -4.83 5.98 10.43 -1.26 -5.13 116.55 124.74 3i1m n ASP 12 Ca 0.00 0.00 -0.31 0.00 2.57 0.00 0.00 54.79 57.05 3i1m n ASP 12 Cb 0.00 0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.01 3i1m n ASP 12 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3i1m s VAL 13 N -0.03 3.85 -0.05 2.53 0.11 -1.26 -5.03 120.40 120.51 3i1m s VAL 13 Ca 0.00 0.60 -0.13 0.00 -2.93 0.00 0.00 61.98 59.52 3i1m s VAL 13 Cb 0.00 -3.40 -0.08 0.00 -1.53 0.00 0.00 36.38 31.37 3i1m s VAL 13 CO 0.00 -0.78 0.53 0.00 -3.33 0.00 0.00 175.10 171.52 3i1m h ALA 14 N -0.74 -0.36 0.00 1.54 0.00 -2.05 -3.47 119.26 114.17 3i1m h ALA 14 Ca -0.45 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3i1m h ALA 14 Cb 1.23 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3i1m h ALA 14 CO 0.59 -0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.77 3i1m n LEU 15 N -5.02 0.48 -3.94 0.00 4.32 -1.26 -4.90 117.00 106.69 3i1m n LEU 15 Ca -0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.51 3i1m n LEU 15 Cb 0.18 -1.24 -0.00 0.00 -1.62 0.00 0.00 43.42 40.74 3i1m n LEU 15 CO 0.14 -0.41 2.50 -1.14 -1.22 0.00 0.00 177.39 177.27 3i1m n ARG 16 N -1.36 2.90 0.00 3.23 0.63 -1.26 -4.59 116.66 116.21 3i1m n ARG 16 Ca 0.00 -2.75 0.05 0.00 -0.92 0.00 0.00 57.85 54.23 3i1m n ARG 16 Cb 0.17 -3.34 0.28 0.00 0.45 0.00 0.00 32.46 30.02 3i1m n ARG 16 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i1m n ARG 17 N 6.69 0.95 -0.07 -0.14 1.74 -1.26 -3.65 116.66 120.93 3i1m n ARG 17 Ca 0.51 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.54 3i1m n ARG 17 Cb 0.41 -1.15 0.16 0.00 -1.02 0.00 0.00 32.46 30.85 3i1m n ARG 17 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3i1m h PHE 18 N 0.00 0.77 0.00 -1.55 -0.00 -1.97 -2.07 116.94 112.12 3i1m h PHE 18 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 57.97 57.83 3i1m h PHE 18 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 35.95 35.75 3i1m h PHE 18 CO 0.00 0.79 -0.01 1.63 -0.00 0.00 0.00 178.31 180.72 3i1m n LYS 19 N -4.17 0.12 -0.03 1.11 4.76 -1.24 -1.77 118.16 116.94 3i1m n LYS 19 Ca 0.01 0.09 0.12 0.00 -2.87 0.00 0.00 58.31 55.66 3i1m n LYS 19 Cb 0.36 -1.63 0.54 0.00 -1.84 0.00 0.00 35.03 32.45 3i1m n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i1m n ARG 20 N -1.83 1.45 -0.01 1.97 5.12 -0.79 -3.89 116.66 118.68 3i1m n ARG 20 Ca 0.06 -0.66 0.06 0.00 -1.93 0.00 0.00 57.85 55.38 3i1m n ARG 20 Cb 0.38 -1.41 -0.11 0.00 -1.16 0.00 0.00 32.46 30.16 3i1m n ARG 20 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3i1m n SER 21 N -0.15 1.61 0.00 0.55 2.88 -0.73 -5.01 113.62 112.77 3i1m n SER 21 Ca 0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 3i1m n SER 21 Cb 0.25 1.60 0.00 0.00 -0.75 0.00 0.00 64.21 65.30 3i1m n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1m n GLU 23 N -0.63 2.98 0.00 0.00 1.02 -1.26 -3.88 120.64 118.87 3i1m n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i1m n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i1m n GLU 23 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3i1m n LYS 24 N 0.00 0.00 -0.47 3.49 4.81 -1.26 -0.93 118.16 123.81 3i1m n LYS 24 Ca 0.00 0.00 0.40 0.00 -0.87 0.00 0.00 58.31 57.84 3i1m n LYS 24 Cb 0.00 0.00 0.67 0.00 0.02 0.00 0.00 35.03 35.72 3i1m n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1m n ALA 25 N 4.09 1.35 -0.45 3.14 0.00 -1.26 0.66 120.51 128.03 3i1m n ALA 25 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 53.44 54.30 3i1m n ALA 25 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3i1m n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1m n GLY 26 N -1.51 -2.65 0.09 0.00 0.00 -0.10 -1.27 105.19 99.74 3i1m n GLY 26 Ca 0.40 0.54 -0.06 0.00 0.00 0.00 0.00 46.02 46.90 3i1m n GLY 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1m n VAL 27 N -1.66 1.23 0.20 1.61 0.31 -0.48 -4.19 118.33 115.35 3i1m n VAL 27 Ca 0.00 -0.79 0.04 0.00 -0.01 0.00 0.00 64.34 63.59 3i1m n VAL 27 Cb 0.00 -0.53 0.41 0.00 -0.91 0.00 0.00 33.84 32.81 3i1m n VAL 27 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i1m h LEU 28 N 0.00 0.00 -0.19 7.52 3.38 0.23 0.28 115.31 126.53 3i1m h LEU 28 Ca -0.40 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 3i1m h LEU 28 Cb 1.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.73 3i1m h LEU 28 CO 0.04 0.33 -0.13 0.00 0.09 0.00 0.00 178.44 178.77 3i1m h ALA 29 N 1.67 0.93 0.08 1.53 0.00 -1.31 -3.36 119.26 118.79 3i1m h ALA 29 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i1m h ALA 29 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3i1m h ALA 29 CO 0.04 0.16 -0.04 1.49 0.00 0.00 0.00 179.25 180.90 3i1m h GLU 30 N 0.00 -0.10 -4.29 0.00 4.81 -1.09 -3.38 114.58 110.53 3i1m h GLU 30 Ca -0.00 0.01 -0.76 0.00 -0.13 0.00 0.00 59.36 58.48 3i1m h GLU 30 Cb 1.03 0.02 -0.20 0.00 0.63 0.00 0.00 28.75 30.24 3i1m h GLU 30 CO 0.02 0.43 1.24 0.28 -0.73 0.00 0.00 179.01 180.24 3i1m n VAL 31 N -4.86 4.38 -2.03 0.32 0.31 -0.82 -4.43 118.33 111.20 3i1m n VAL 31 Ca -0.08 -4.87 -0.03 0.00 -0.01 0.00 0.00 64.34 59.35 3i1m n VAL 31 Cb 0.29 -2.46 -0.03 0.00 -0.91 0.00 0.00 33.84 30.73 3i1m n VAL 31 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i1m n ARG 32 N 4.65 0.00 0.00 5.55 0.63 -1.26 -4.98 116.66 121.25 3i1m n ARG 32 Ca 0.34 -0.58 0.00 0.00 -0.92 0.00 0.00 57.85 56.69 3i1m n ARG 32 Cb 0.41 0.17 0.00 0.00 0.45 0.00 0.00 32.46 33.49 3i1m n ARG 32 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3i1m n ARG 33 N 0.03 0.00 -1.40 -0.14 0.63 -1.26 -5.14 116.66 109.37 3i1m n ARG 33 Ca -0.11 0.00 -0.50 0.00 -0.92 0.00 0.00 57.85 56.32 3i1m n ARG 33 Cb 0.63 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.50 3i1m n ARG 33 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i1m n ARG 34 N 0.00 0.00 -0.42 -0.14 1.74 -1.26 -4.69 116.66 111.88 3i1m n ARG 34 Ca 0.00 0.00 0.33 0.00 -0.77 0.00 0.00 57.85 57.41 3i1m n ARG 34 Cb 0.00 -1.09 0.51 0.00 -1.02 0.00 0.00 32.46 30.86 3i1m n ARG 34 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i1m n GLU 35 N 1.09 -0.01 0.00 5.56 -0.58 -1.26 -4.77 120.64 120.68 3i1m n GLU 35 Ca 0.18 0.74 0.00 0.00 -0.42 0.00 0.00 57.16 57.66 3i1m n GLU 35 Cb 0.21 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 3i1m n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3i1m n PHE 36 N -3.45 0.00 0.00 -0.32 3.72 -1.26 -4.92 117.46 111.22 3i1m n PHE 36 Ca 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 3i1m n PHE 36 Cb 1.24 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.78 3i1m n PHE 36 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3i1m n TYR 37 N 0.00 0.00 -1.22 1.38 9.36 -1.26 -3.29 117.16 122.13 3i1m n TYR 37 Ca 0.00 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.93 3i1m n TYR 37 Cb 0.00 0.00 0.11 0.00 -0.63 0.00 0.00 39.34 38.82 3i1m n TYR 37 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 3i1m n GLU 38 N 0.00 2.45 -0.12 2.98 4.07 -1.26 -4.14 120.64 124.62 3i1m n GLU 38 Ca 0.00 -3.03 -0.25 0.00 -0.06 0.00 0.00 57.16 53.83 3i1m n GLU 38 Cb 0.00 -2.19 -0.11 0.00 -0.06 0.00 0.00 31.44 29.08 3i1m n GLU 38 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3i1m n LYS 39 N -0.90 0.58 0.12 5.31 3.00 -1.21 -4.24 118.16 120.83 3i1m n LYS 39 Ca 0.59 0.44 0.19 0.00 -0.00 0.00 0.00 58.31 59.53 3i1m n LYS 39 Cb 1.02 -1.65 0.77 0.00 0.00 0.00 0.00 35.03 35.17 3i1m n LYS 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 3i1m h PRO 40 N -0.95 0.00 -0.21 1.64 0.13 -1.88 1.33 132.00 132.05 3i1m h PRO 40 Ca -0.49 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.70 3i1m h PRO 40 Cb 1.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.57 3i1m h PRO 40 CO -0.28 0.00 0.41 1.79 -0.23 0.00 0.00 178.00 179.69 3i1m h THR 41 N 0.00 0.19 0.00 1.56 1.35 -1.80 0.73 112.91 114.94 3i1m h THR 41 Ca 0.16 0.00 -0.41 0.00 -0.55 0.00 0.00 66.41 65.60 3i1m h THR 41 Cb 0.80 0.64 -0.06 0.00 -1.73 0.00 0.00 68.15 67.80 3i1m h THR 41 CO -0.00 0.00 -2.37 0.35 -0.25 0.00 0.00 175.52 173.25 3i1m n THR 42 N -3.30 1.40 0.12 6.82 -2.24 0.43 -4.21 114.28 113.31 3i1m n THR 42 Ca 0.03 -0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 61.39 3i1m n THR 42 Cb 0.52 -1.86 -0.05 0.00 -2.10 0.00 0.00 70.33 66.85 3i1m n THR 42 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3i1m h GLU 43 N -0.91 -0.43 0.00 -0.78 5.08 -0.21 -0.75 114.58 116.58 3i1m h GLU 43 Ca -0.63 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 3i1m h GLU 43 Cb 1.54 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.89 3i1m h GLU 43 CO -0.38 -0.29 0.00 0.54 -1.00 0.00 0.00 179.01 177.88 3i1m n ARG 44 N -3.76 0.32 -0.01 2.33 3.00 0.25 -1.70 116.66 117.09 3i1m n ARG 44 Ca -0.05 0.09 -0.08 0.00 -0.01 0.00 0.00 57.85 57.79 3i1m n ARG 44 Cb 0.21 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.10 3i1m n ARG 44 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 3i1m h LYS 45 N 0.00 -0.10 0.00 5.56 1.63 -0.94 -3.31 116.57 119.41 3i1m h LYS 45 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3i1m h LYS 45 Cb 0.16 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 3i1m h LYS 45 CO 0.00 0.34 0.00 -2.13 -3.45 0.00 0.00 179.45 174.21 3i1m n ARG 46 N -4.80 0.08 0.00 1.90 0.63 -0.35 -3.10 116.66 111.02 3i1m n ARG 46 Ca -0.06 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 3i1m n ARG 46 Cb 0.24 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.52 3i1m n ARG 46 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1m n ALA 47 N -1.61 1.89 0.00 5.13 0.00 -0.69 -1.88 120.51 123.35 3i1m n ALA 47 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i1m n ALA 47 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3i1m n ALA 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1m n LYS 48 N 0.35 0.00 0.15 0.00 3.00 -1.18 -4.46 118.16 116.02 3i1m n LYS 48 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.36 3i1m n LYS 48 Cb 0.17 -0.41 0.48 0.00 0.00 0.00 0.00 35.03 35.27 3i1m n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1m h ALA 49 N 0.00 1.70 -0.05 3.14 0.00 -1.63 0.59 119.26 123.01 3i1m h ALA 49 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i1m h ALA 49 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i1m h ALA 49 CO 0.00 0.23 0.00 0.43 0.00 0.00 0.00 179.25 179.91 3i1m n SER 50 N -4.39 1.30 -2.62 0.00 7.64 -0.79 -4.01 113.62 110.76 3i1m n SER 50 Ca -0.01 -1.49 -0.28 0.00 1.01 0.00 0.00 58.87 58.10 3i1m n SER 50 Cb 0.18 -0.03 -0.00 0.00 -1.01 0.00 0.00 64.21 63.35 3i1m n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1m n ALA 51 N 0.03 5.13 -1.68 -0.43 0.00 0.21 -4.91 120.51 118.87 3i1m n ALA 51 Ca 0.19 -4.39 0.00 0.00 0.00 0.00 0.00 53.44 49.24 3i1m n ALA 51 Cb 0.31 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3i1m n ALA 51 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3i1m n VAL 52 N -0.44 0.00 0.18 0.00 3.14 -1.13 -4.85 118.33 115.23 3i1m n VAL 52 Ca 0.39 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.79 3i1m n VAL 52 Cb 0.57 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.37 3i1m n VAL 52 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66