#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i1t s GLY 2 N 0.00 3.00 0.60 6.12 0.00 -1.26 -4.99 107.32 110.79 2i1t s GLY 2 Ca 0.00 1.26 -0.16 0.00 0.00 0.00 0.00 44.72 45.82 2i1t s GLY 2 CO 0.00 1.91 1.08 -0.54 0.00 0.00 0.00 173.10 175.55 2i1t s GLU 3 N -1.79 3.21 0.07 2.90 8.01 -1.26 -5.06 118.70 124.79 2i1t s GLU 3 Ca 0.49 1.33 0.03 0.00 0.01 0.00 0.00 54.97 56.83 2i1t s GLU 3 Cb -0.40 -2.01 -0.03 0.00 -4.31 0.00 0.00 34.13 27.38 2i1t s GLU 3 CO 0.53 -0.91 -0.09 0.00 0.01 0.00 0.00 175.26 174.80 2i1t n GLY 5 N 0.92 0.63 0.00 0.00 0.00 -1.06 -4.73 105.19 100.95 2i1t n GLY 5 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 4.87 0.13 -0.02 0.00 -1.26 -4.77 105.19 109.13 2i1t n GLY 6 Ca 0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 2i1t n GLY 6 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2i1t n PHE 7 N 0.00 1.16 -3.18 1.61 7.35 -1.26 -4.68 117.46 118.46 2i1t n PHE 7 Ca 0.00 0.28 -0.23 0.00 -0.76 0.00 0.00 57.45 56.73 2i1t n PHE 7 Cb 0.00 -1.16 -0.07 0.00 0.35 0.00 0.00 39.48 38.60 2i1t n PHE 7 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 2i1t n TRP 8 N -3.38 -0.52 -3.14 -5.13 7.02 -1.23 -3.84 117.44 107.22 2i1t n TRP 8 Ca -0.29 -3.47 -0.20 0.00 -1.02 0.00 0.00 57.50 52.51 2i1t n TRP 8 Cb 1.05 -0.24 0.01 0.00 -2.42 0.00 0.00 31.31 29.70 2i1t n TRP 8 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2i1t s TRP 9 N -1.05 3.08 -0.05 -5.99 0.52 -0.93 -4.82 118.94 109.70 2i1t s TRP 9 Ca 0.35 -0.06 -0.17 0.00 0.02 0.00 0.00 56.10 56.23 2i1t s TRP 9 Cb 0.17 -2.25 -0.05 0.00 -1.15 0.00 0.00 33.47 30.19 2i1t s TRP 9 CO -0.12 -0.29 0.46 0.15 0.02 0.00 0.00 176.95 177.17 2i1t s LYS 10 N -4.40 4.18 0.10 4.98 1.02 -1.26 0.10 119.74 124.45 2i1t s LYS 10 Ca 0.49 0.46 -0.14 0.00 0.02 0.00 0.00 55.97 56.81 2i1t s LYS 10 Cb -0.10 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 2i1t s LYS 10 CO 0.35 0.41 0.32 0.00 -0.92 0.00 0.00 175.35 175.50 2i1t n GLY 12 N -0.03 0.97 1.64 0.00 0.00 -1.26 -3.66 105.19 102.85 2i1t n GLY 12 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2i1t n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i1t n ARG 13 N 0.00 1.73 0.00 1.61 3.00 -1.26 -2.80 116.66 118.93 2i1t n ARG 13 Ca 0.00 -1.61 0.00 0.00 -0.01 0.00 0.00 57.85 56.23 2i1t n ARG 13 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 30.82 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 1.13 0.16 -0.13 0.00 -1.26 -4.93 105.19 99.81 2i1t n GLY 14 Ca 0.31 0.00 -0.08 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 -0.28 -6.64 1.61 3.11 -1.93 -3.44 116.57 109.00 2i1t h LYS 15 Ca 0.00 0.02 -0.52 0.00 -2.81 0.00 0.00 60.65 57.34 2i1t h LYS 15 Cb 0.00 0.06 0.01 0.00 -1.00 0.00 0.00 32.23 31.30 2i1t h LYS 15 CO 0.00 -0.00 0.51 -1.25 -2.81 0.00 0.00 179.45 175.90 2i1t s PRO 16 N -2.99 4.55 -0.49 1.90 0.04 -1.26 -4.96 135.00 131.79 2i1t s PRO 16 Ca -0.09 1.77 -0.28 0.00 0.04 0.00 0.00 61.00 62.44 2i1t s PRO 16 Cb 0.00 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 2i1t s PRO 16 CO 0.31 -0.01 1.65 -1.25 0.04 0.00 0.00 177.00 177.74 2i1t s PRO 17 N -0.19 3.16 1.06 0.56 0.04 -1.26 -4.96 135.00 133.41 2i1t s PRO 17 Ca 0.51 0.85 -0.17 0.00 0.04 0.00 0.00 61.00 62.24 2i1t s PRO 17 Cb -0.30 -4.21 0.23 0.00 0.04 0.00 0.00 34.50 30.26 2i1t s PRO 17 CO 0.35 -2.08 1.20 0.00 0.04 0.00 0.00 177.00 176.50 2i1t n LYS 20 N -2.78 2.31 0.00 0.00 4.81 -1.26 -1.00 118.16 120.24 2i1t n LYS 20 Ca 0.06 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 2i1t n LYS 20 Cb 0.55 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.94 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 3.93 3.03 3.86 3.14 0.00 -1.26 -5.06 105.19 112.83 2i1t n GLY 21 Ca 0.19 0.00 -0.36 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 -2.85 3.65 -0.01 1.61 1.51 -0.17 -3.03 117.35 118.07 2i1t s TYR 22 Ca 0.00 0.84 0.06 0.00 -1.01 0.00 0.00 57.07 56.96 2i1t s TYR 22 Cb 0.00 -2.18 -0.02 0.00 -0.11 0.00 0.00 41.96 39.65 2i1t s TYR 22 CO 0.00 0.60 -0.20 0.00 -1.11 0.00 0.00 175.55 174.84 2i1t s ALA 23 N -1.22 1.66 0.43 3.71 0.00 0.76 -4.68 121.76 122.41 2i1t s ALA 23 Ca 0.27 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 2i1t s ALA 23 Cb -0.15 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2i1t s ALA 23 CO 0.15 0.40 0.71 0.00 0.00 0.00 0.00 175.76 177.01 2i1t s SER 25 N -4.01 1.01 0.13 0.00 0.01 0.80 -4.82 113.70 106.81 2i1t s SER 25 Ca 0.45 0.00 -0.03 0.00 1.31 0.00 0.00 55.95 57.68 2i1t s SER 25 Cb -0.10 -0.24 -0.11 0.00 0.21 0.00 0.00 66.02 65.78 2i1t s SER 25 CO 0.41 -0.19 1.29 0.07 0.41 0.00 0.00 173.24 175.23 2i1t h LYS 26 N 8.02 0.35 -0.33 12.44 2.10 -1.79 0.25 116.57 137.61 2i1t h LYS 26 Ca -0.24 -0.41 -0.16 0.00 -2.00 0.00 0.00 60.65 57.84 2i1t h LYS 26 Cb 1.12 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 2i1t h LYS 26 CO 0.29 1.10 -0.42 1.15 -2.00 0.00 0.00 179.45 179.57 2i1t h THR 27 N 0.18 1.28 0.24 0.07 2.02 -1.95 -3.21 112.91 111.54 2i1t h THR 27 Ca -0.08 -1.60 -0.31 0.00 0.77 0.00 0.00 66.41 65.19 2i1t h THR 27 Cb 1.63 1.47 0.04 0.00 -1.74 0.00 0.00 68.15 69.55 2i1t h THR 27 CO 0.17 0.52 -1.36 -0.50 0.37 0.00 0.00 175.52 174.72 2i1t h TRP 28 N 0.67 0.91 0.00 3.16 6.55 -1.96 -3.48 115.95 121.80 2i1t h TRP 28 Ca 0.05 -0.67 0.00 0.00 0.95 0.00 0.00 58.89 59.22 2i1t h TRP 28 Cb 0.99 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 29.26 2i1t h TRP 28 CO 0.06 1.52 0.00 0.41 -1.05 0.00 0.00 178.44 179.38 2i1t n GLY 29 N 1.71 0.84 3.57 1.49 0.00 0.87 -5.06 105.19 108.61 2i1t n GLY 29 Ca -0.16 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 2i1t n GLY 29 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2i1t s TRP 30 N -2.00 0.80 -0.08 1.61 -2.14 -1.10 -2.47 118.94 113.56 2i1t s TRP 30 Ca 0.00 -1.14 0.02 0.00 2.66 0.00 0.00 56.10 57.64 2i1t s TRP 30 Cb 0.00 0.14 0.01 0.00 -3.10 0.00 0.00 33.47 30.53 2i1t s TRP 30 CO 0.00 -1.22 -0.14 0.00 -2.66 0.00 0.00 176.95 172.93 2i1t s ALA 32 N 0.77 0.22 0.34 0.00 0.00 -0.45 -2.19 121.76 120.46 2i1t s ALA 32 Ca -0.12 -1.17 -0.29 0.00 0.00 0.00 0.00 51.96 50.38 2i1t s ALA 32 Cb -0.16 1.12 -0.11 0.00 0.00 0.00 0.00 23.12 23.97 2i1t s ALA 32 CO 0.02 -0.81 1.48 0.28 0.00 0.00 0.00 175.76 176.74 2i1t n VAL 33 N -0.43 1.71 -2.20 0.00 0.31 -1.26 -0.17 118.33 116.29 2i1t n VAL 33 Ca -0.01 -0.43 -0.43 0.00 -0.01 0.00 0.00 64.34 63.47 2i1t n VAL 33 Cb 0.62 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 2i1t n VAL 33 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2i1t n GLU 34 N 0.96 3.24 0.09 5.55 -0.58 -1.17 -4.74 120.64 124.00 2i1t n GLU 34 Ca 0.04 -3.17 -0.12 0.00 -0.42 0.00 0.00 57.16 53.49 2i1t n GLU 34 Cb 0.38 -3.15 -0.08 0.00 -0.57 0.00 0.00 31.44 28.02 2i1t n GLU 34 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i1t h ALA 35 N 6.23 -0.29 0.00 0.62 0.00 -1.91 -3.51 119.26 120.40 2i1t h ALA 35 Ca 0.46 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2i1t h ALA 35 Cb 0.69 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2i1t h ALA 35 CO 1.66 -0.40 0.00 -0.35 0.00 0.00 0.00 179.25 180.16