#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 1.70 2.88 0.44 0.00 -1.26 -5.05 105.19 103.89 2i1t n GLY 2 Ca 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 46.02 45.02 2i1t n GLY 2 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2i1t n GLU 3 N -0.54 -2.62 -4.09 1.61 1.02 -1.26 -5.01 120.64 109.75 2i1t n GLU 3 Ca 0.04 2.23 -0.07 0.00 -0.02 0.00 0.00 57.16 59.34 2i1t n GLU 3 Cb 0.82 -4.41 -0.10 0.00 -0.02 0.00 0.00 31.44 27.73 2i1t n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i1t n GLY 5 N 0.09 0.63 0.00 0.00 0.00 -1.08 -4.73 105.19 100.10 2i1t n GLY 5 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 4.16 0.12 -0.02 0.00 -1.26 -4.73 105.19 108.45 2i1t n GLY 6 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 2i1t n GLY 6 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2i1t h PHE 7 N 0.00 0.30 -2.39 1.61 3.04 -2.00 -3.43 116.94 114.08 2i1t h PHE 7 Ca 0.00 -0.22 -0.59 0.00 3.98 0.00 0.00 57.97 61.14 2i1t h PHE 7 Cb 0.00 -0.01 -0.39 0.00 2.56 0.00 0.00 35.95 38.11 2i1t h PHE 7 CO 0.00 1.46 -0.94 1.87 -2.02 0.00 0.00 178.31 178.67 2i1t n TRP 8 N -3.32 -0.28 -3.89 0.41 -0.00 -1.24 -3.87 117.44 105.24 2i1t n TRP 8 Ca -0.25 -3.47 -0.22 0.00 -0.00 0.00 0.00 57.50 53.56 2i1t n TRP 8 Cb 1.05 0.06 -0.05 0.00 -0.00 0.00 0.00 31.31 32.37 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 2.75 -0.03 5.87 0.52 -0.92 -4.89 118.94 121.89 2i1t s TRP 9 Ca 0.33 -0.42 -0.15 0.00 0.02 0.00 0.00 56.10 55.87 2i1t s TRP 9 Cb 0.05 -1.86 -0.05 0.00 -1.15 0.00 0.00 33.47 30.46 2i1t s TRP 9 CO -0.18 0.16 0.42 0.15 0.02 0.00 0.00 176.95 177.52 2i1t s LYS 10 N -3.96 4.02 0.20 4.98 1.02 -1.26 0.79 119.74 125.53 2i1t s LYS 10 Ca 0.42 0.41 -0.12 0.00 0.02 0.00 0.00 55.97 56.69 2i1t s LYS 10 Cb -0.03 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2i1t s LYS 10 CO 0.25 0.57 0.41 0.00 -0.92 0.00 0.00 175.35 175.65 2i1t n GLY 12 N -0.30 0.46 1.91 0.00 0.00 -1.26 -4.01 105.19 101.99 2i1t n GLY 12 Ca -0.06 0.00 -0.18 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 1.88 -0.83 1.61 0.00 -1.26 -2.90 116.66 115.16 2i1t n ARG 13 Ca 0.00 -1.77 0.00 0.00 -0.00 0.00 0.00 57.85 56.08 2i1t n ARG 13 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 30.76 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 0.08 1.11 0.06 5.14 0.00 -1.26 -4.93 105.19 105.39 2i1t n GLY 14 Ca 0.34 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -6.34 1.61 3.64 -1.94 -3.44 116.57 110.09 2i1t h LYS 15 Ca 0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 2i1t h LYS 15 Cb 0.35 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2i1t h LYS 15 CO 0.00 0.35 0.64 -1.25 -2.27 0.00 0.00 179.45 176.92 2i1t s PRO 16 N -1.79 4.39 -0.27 1.90 0.04 -1.26 -4.98 135.00 133.03 2i1t s PRO 16 Ca -0.07 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 2i1t s PRO 16 Cb -0.01 -3.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.01 2i1t s PRO 16 CO 0.24 -0.38 1.45 -1.25 0.04 0.00 0.00 177.00 177.10 2i1t s PRO 17 N 1.92 3.84 0.85 0.56 0.04 -1.26 -4.92 135.00 136.03 2i1t s PRO 17 Ca 0.55 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 2i1t s PRO 17 Cb -0.25 -3.96 0.19 0.00 0.04 0.00 0.00 34.50 30.53 2i1t s PRO 17 CO 0.23 -1.23 1.16 0.00 0.04 0.00 0.00 177.00 177.20 2i1t n LYS 20 N -3.03 2.15 0.00 0.00 5.02 -1.26 -0.65 118.16 120.40 2i1t n LYS 20 Ca 0.09 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 2i1t n LYS 20 Cb 0.53 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 2i1t n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i1t n GLY 21 N 4.16 2.64 3.78 0.72 0.00 -1.26 -5.06 105.19 110.17 2i1t n GLY 21 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.58 3.69 0.09 1.61 1.51 0.18 -3.39 117.35 118.48 2i1t s TYR 22 Ca 0.00 1.16 0.09 0.00 -1.01 0.00 0.00 57.07 57.31 2i1t s TYR 22 Cb 0.00 -2.55 -0.03 0.00 -0.11 0.00 0.00 41.96 39.27 2i1t s TYR 22 CO 0.00 0.41 -0.23 0.00 -1.11 0.00 0.00 175.55 174.62 2i1t s ALA 23 N -0.38 1.99 0.44 3.71 0.00 -0.12 -4.56 121.76 122.84 2i1t s ALA 23 Ca 0.29 -1.27 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 2i1t s ALA 23 Cb -0.18 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2i1t s ALA 23 CO 0.16 0.43 0.72 0.00 0.00 0.00 0.00 175.76 177.08 2i1t s SER 25 N -4.00 2.20 0.14 0.00 0.01 0.12 -4.81 113.70 107.36 2i1t s SER 25 Ca 0.46 -0.47 -0.11 0.00 1.31 0.00 0.00 55.95 57.13 2i1t s SER 25 Cb -0.10 -0.38 -0.06 0.00 0.21 0.00 0.00 66.02 65.69 2i1t s SER 25 CO 0.42 -0.29 1.43 0.50 0.41 0.00 0.00 173.24 175.71 2i1t h LYS 26 N 8.35 0.89 -0.80 12.44 3.64 -1.81 0.58 116.57 139.86 2i1t h LYS 26 Ca -0.16 -0.53 -0.03 0.00 -1.27 0.00 0.00 60.65 58.67 2i1t h LYS 26 Cb 1.13 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 2i1t h LYS 26 CO 0.28 1.17 0.40 1.15 -2.27 0.00 0.00 179.45 180.18 2i1t h THR 27 N 0.69 1.24 0.19 1.00 2.02 -1.95 -3.00 112.91 113.11 2i1t h THR 27 Ca 0.03 -0.67 -0.30 0.00 0.77 0.00 0.00 66.41 66.24 2i1t h THR 27 Cb 1.10 0.20 0.02 0.00 -1.74 0.00 0.00 68.15 67.74 2i1t h THR 27 CO 0.11 0.29 -1.39 -0.50 0.37 0.00 0.00 175.52 174.40 2i1t h TRP 28 N 1.13 0.75 0.00 3.16 6.55 -1.94 -3.48 115.95 122.12 2i1t h TRP 28 Ca 0.28 -0.55 0.00 0.00 0.95 0.00 0.00 58.89 59.57 2i1t h TRP 28 Cb 0.09 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.36 2i1t h TRP 28 CO 0.01 1.54 0.00 0.41 -1.05 0.00 0.00 178.44 179.35 2i1t n GLY 29 N 1.75 0.99 3.57 1.49 0.00 0.20 -5.07 105.19 108.11 2i1t n GLY 29 Ca -0.19 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.03 -1.73 -4.54 1.61 2.14 -1.05 -3.14 117.44 108.72 2i1t n TRP 30 Ca 0.00 -2.29 -0.27 0.00 2.07 0.00 0.00 57.50 57.01 2i1t n TRP 30 Cb 0.00 0.67 -0.17 0.00 -0.81 0.00 0.00 31.31 31.00 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 0.86 0.52 0.50 0.00 0.00 -0.42 -2.18 121.76 121.04 2i1t s ALA 32 Ca -0.10 -1.35 -0.23 0.00 0.00 0.00 0.00 51.96 50.28 2i1t s ALA 32 Cb -0.15 1.16 -0.06 0.00 0.00 0.00 0.00 23.12 24.07 2i1t s ALA 32 CO 0.01 -0.78 1.37 0.08 0.00 0.00 0.00 175.76 176.44 2i1t s VAL 33 N -3.50 2.15 -1.06 0.00 1.01 -1.26 -0.94 120.40 116.80 2i1t s VAL 33 Ca 0.29 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.37 2i1t s VAL 33 Cb 0.01 -3.06 0.31 0.00 0.00 0.00 0.00 36.38 33.63 2i1t s VAL 33 CO 0.16 0.01 1.73 -0.62 0.00 0.00 0.00 175.10 176.37 2i1t n GLU 34 N -0.68 5.09 -3.53 2.72 -0.58 -1.22 -4.80 120.64 117.64 2i1t n GLU 34 Ca 0.08 -4.59 -0.41 0.00 -0.42 0.00 0.00 57.16 51.82 2i1t n GLU 34 Cb 0.44 -2.49 -0.11 0.00 -0.57 0.00 0.00 31.44 28.71 2i1t n GLU 34 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i1t s ALA 35 N -3.69 3.44 -2.00 0.62 0.00 -1.26 -5.09 121.76 113.78 2i1t s ALA 35 Ca 0.37 -1.52 0.19 0.00 0.00 0.00 0.00 51.96 50.99 2i1t s ALA 35 Cb 0.14 -2.69 1.10 0.00 0.00 0.00 0.00 23.12 21.68 2i1t s ALA 35 CO -0.05 -1.16 1.50 -0.35 0.00 0.00 0.00 175.76 175.71