#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i1t n GLY 2 N 0.00 1.67 0.00 0.27 0.00 -1.26 -5.11 105.19 100.76 2i1t n GLY 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2i1t n GLY 2 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2i1t n GLU 3 N 0.00 2.11 -3.13 1.61 2.13 -1.26 -5.01 120.64 117.09 2i1t n GLU 3 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 2i1t n GLU 3 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 2i1t n GLU 3 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2i1t n GLY 5 N -0.94 0.96 0.00 0.00 0.00 -1.16 -4.68 105.19 99.37 2i1t n GLY 5 Ca 0.01 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2i1t n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i1t n GLY 6 N 5.00 5.48 0.10 -0.02 0.00 -1.26 -4.35 105.19 110.14 2i1t n GLY 6 Ca 0.00 -1.22 0.07 0.00 0.00 0.00 0.00 46.02 44.88 2i1t n GLY 6 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2i1t n PHE 7 N 0.00 0.94 -2.82 1.61 -1.74 -1.26 -4.66 117.46 109.53 2i1t n PHE 7 Ca 0.00 0.29 -0.11 0.00 -0.56 0.00 0.00 57.45 57.07 2i1t n PHE 7 Cb 0.00 -0.99 0.03 0.00 1.52 0.00 0.00 39.48 40.04 2i1t n PHE 7 CO 0.00 0.00 0.00 1.87 -0.56 0.00 0.00 176.76 178.07 2i1t n TRP 8 N -2.73 -2.82 -3.01 2.97 -0.00 -1.22 -4.06 117.44 106.57 2i1t n TRP 8 Ca -0.04 -2.08 -0.18 0.00 -0.00 0.00 0.00 57.50 55.20 2i1t n TRP 8 Cb 0.65 1.25 0.04 0.00 -0.00 0.00 0.00 31.31 33.25 2i1t n TRP 8 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 2i1t s TRP 9 N 0.35 2.09 0.03 5.87 0.52 -0.84 -4.83 118.94 122.13 2i1t s TRP 9 Ca 0.32 -0.55 -0.19 0.00 0.02 0.00 0.00 56.10 55.71 2i1t s TRP 9 Cb 0.22 -2.32 -0.06 0.00 -1.15 0.00 0.00 33.47 30.17 2i1t s TRP 9 CO -0.22 -0.82 0.54 0.15 0.02 0.00 0.00 176.95 176.62 2i1t s LYS 10 N -4.53 4.17 0.14 4.98 1.02 -1.26 0.64 119.74 124.90 2i1t s LYS 10 Ca 0.59 0.66 -0.12 0.00 0.02 0.00 0.00 55.97 57.11 2i1t s LYS 10 Cb -0.08 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 33.98 2i1t s LYS 10 CO 0.36 0.57 0.34 0.00 -0.92 0.00 0.00 175.35 175.71 2i1t n GLY 12 N -0.20 0.50 1.65 0.00 0.00 -1.26 -3.71 105.19 102.17 2i1t n GLY 12 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 2i1t n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2i1t n ARG 13 N 0.00 1.86 0.00 1.61 0.00 -1.26 -2.40 116.66 116.47 2i1t n ARG 13 Ca 0.00 -1.70 0.00 0.00 -0.00 0.00 0.00 57.85 56.15 2i1t n ARG 13 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 32.46 30.77 2i1t n ARG 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2i1t n GLY 14 N -0.35 1.75 0.22 5.14 0.00 -1.26 -4.95 105.19 105.73 2i1t n GLY 14 Ca 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 2i1t n GLY 14 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2i1t h LYS 15 N 0.00 -0.45 -6.52 1.61 1.63 -1.95 -3.44 116.57 107.45 2i1t h LYS 15 Ca 0.00 0.03 -0.53 0.00 -0.85 0.00 0.00 60.65 59.30 2i1t h LYS 15 Cb 0.00 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2i1t h LYS 15 CO 0.00 -0.22 0.49 -1.25 -3.45 0.00 0.00 179.45 175.02 2i1t s PRO 16 N -3.34 4.51 -0.61 1.90 0.04 -1.26 -4.78 135.00 131.46 2i1t s PRO 16 Ca -0.09 1.68 -0.27 0.00 0.04 0.00 0.00 61.00 62.36 2i1t s PRO 16 Cb 0.01 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 2i1t s PRO 16 CO 0.29 -0.10 1.73 -1.25 0.04 0.00 0.00 177.00 177.71 2i1t s PRO 17 N 0.59 2.81 0.83 0.56 0.04 -1.26 -4.95 135.00 133.61 2i1t s PRO 17 Ca 0.54 0.51 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 2i1t s PRO 17 Cb -0.28 -4.32 0.09 0.00 0.04 0.00 0.00 34.50 30.03 2i1t s PRO 17 CO 0.31 -2.53 1.10 0.00 0.04 0.00 0.00 177.00 175.91 2i1t n LYS 20 N -3.10 2.33 0.00 0.00 4.81 -1.26 -1.47 118.16 119.46 2i1t n LYS 20 Ca 0.12 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 2i1t n LYS 20 Cb 0.51 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.92 2i1t n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2i1t n GLY 21 N 3.71 2.49 3.86 3.14 0.00 -1.26 -5.06 105.19 112.06 2i1t n GLY 21 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2i1t n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i1t s TYR 22 N -2.53 3.64 0.11 1.61 2.02 -0.54 -3.69 117.35 117.97 2i1t s TYR 22 Ca 0.00 0.84 0.10 0.00 -0.37 0.00 0.00 57.07 57.64 2i1t s TYR 22 Cb 0.00 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 2i1t s TYR 22 CO 0.00 0.58 -0.26 0.00 -1.57 0.00 0.00 175.55 174.30 2i1t s ALA 23 N -1.26 2.31 0.47 3.71 0.00 0.11 -4.67 121.76 122.43 2i1t s ALA 23 Ca 0.28 -1.41 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 2i1t s ALA 23 Cb -0.15 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 2i1t s ALA 23 CO 0.15 0.52 0.75 0.00 0.00 0.00 0.00 175.76 177.19 2i1t s SER 25 N -4.13 3.26 0.22 0.00 0.01 0.11 -4.91 113.70 108.26 2i1t s SER 25 Ca 0.47 -1.13 -0.02 0.00 1.31 0.00 0.00 55.95 56.57 2i1t s SER 25 Cb -0.10 -0.32 0.21 0.00 0.21 0.00 0.00 66.02 66.01 2i1t s SER 25 CO 0.43 -0.42 1.60 0.50 0.41 0.00 0.00 173.24 175.76 2i1t h LYS 26 N 8.41 0.61 -0.67 12.44 1.63 -1.74 0.42 116.57 137.67 2i1t h LYS 26 Ca -0.19 -0.30 -0.03 0.00 -0.85 0.00 0.00 60.65 59.29 2i1t h LYS 26 Cb 1.04 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.64 2i1t h LYS 26 CO 0.41 0.89 0.31 1.15 -3.45 0.00 0.00 179.45 178.75 2i1t h THR 27 N 0.51 1.22 0.00 1.00 2.02 -1.94 -3.25 112.91 112.47 2i1t h THR 27 Ca 0.05 -0.65 -0.19 0.00 0.77 0.00 0.00 66.41 66.39 2i1t h THR 27 Cb 0.87 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 2i1t h THR 27 CO 0.08 0.27 -1.07 -0.50 0.37 0.00 0.00 175.52 174.67 2i1t h TRP 28 N 0.96 0.00 0.00 3.16 6.55 -1.93 -3.49 115.95 121.20 2i1t h TRP 28 Ca 0.23 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.07 2i1t h TRP 28 Cb 0.13 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.43 2i1t h TRP 28 CO 0.01 1.39 0.00 0.41 -1.05 0.00 0.00 178.44 179.20 2i1t n GLY 29 N 1.46 1.66 2.79 1.49 0.00 0.15 -5.10 105.19 107.65 2i1t n GLY 29 Ca -0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 2i1t n GLY 29 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2i1t n TRP 30 N -0.35 -1.40 -4.27 1.61 2.14 -1.11 -3.03 117.44 111.03 2i1t n TRP 30 Ca 0.00 -1.85 -0.25 0.00 2.07 0.00 0.00 57.50 57.47 2i1t n TRP 30 Cb 0.00 0.50 -0.17 0.00 -0.81 0.00 0.00 31.31 30.83 2i1t n TRP 30 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2i1t s ALA 32 N 1.09 0.16 0.25 0.00 0.00 0.15 -1.99 121.76 121.42 2i1t s ALA 32 Ca -0.07 -1.14 -0.31 0.00 0.00 0.00 0.00 51.96 50.44 2i1t s ALA 32 Cb -0.14 1.10 -0.13 0.00 0.00 0.00 0.00 23.12 23.95 2i1t s ALA 32 CO -0.01 -0.82 1.49 0.28 0.00 0.00 0.00 175.76 176.70 2i1t n VAL 33 N -0.44 0.87 0.06 0.00 0.31 -1.26 0.07 118.33 117.95 2i1t n VAL 33 Ca -0.01 -0.22 -0.03 0.00 -0.01 0.00 0.00 64.34 64.07 2i1t n VAL 33 Cb 0.62 -1.66 -0.02 0.00 -0.91 0.00 0.00 33.84 31.88 2i1t n VAL 33 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2i1t h GLU 34 N 4.61 -0.21 -6.55 5.55 4.22 -1.88 -3.44 114.58 116.88 2i1t h GLU 34 Ca -0.46 0.01 -0.67 0.00 0.08 0.00 0.00 59.36 58.33 2i1t h GLU 34 Cb 1.25 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 30.40 2i1t h GLU 34 CO 0.78 -0.14 -0.74 0.00 -2.18 0.00 0.00 179.01 176.74 2i1t s ALA 35 N -3.23 2.96 -2.00 2.92 0.00 -1.26 -5.09 121.76 116.07 2i1t s ALA 35 Ca -0.03 -1.25 0.20 0.00 0.00 0.00 0.00 51.96 50.88 2i1t s ALA 35 Cb 0.00 -0.90 1.18 0.00 0.00 0.00 0.00 23.12 23.41 2i1t s ALA 35 CO 0.10 0.64 1.57 -0.35 0.00 0.00 0.00 175.76 177.72