#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 0.80 3.48 0.27 0.00 -1.26 -5.03 105.19 103.46 2i1t n GLY 2 Ca 0.00 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 2i1t n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i1t s GLU 3 N -1.83 3.24 0.05 1.61 2.02 -1.26 -4.98 118.70 117.54 2i1t s GLU 3 Ca 0.00 -0.85 -0.01 0.00 0.02 0.00 0.00 54.97 54.12 2i1t s GLU 3 Cb 0.00 -4.41 -0.04 0.00 0.10 0.00 0.00 34.13 29.78 2i1t s GLU 3 CO 0.00 -1.92 -0.02 0.00 0.02 0.00 0.00 175.26 173.34 2i1t n GLY 5 N 0.27 0.54 0.00 0.00 0.00 -0.73 -4.75 105.19 100.52 2i1t n GLY 5 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 4.28 0.13 -0.02 0.00 -1.26 -4.71 105.19 108.61 2i1t n GLY 6 Ca 0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 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 0.68 -2.24 1.61 3.57 -1.99 -3.42 116.94 115.15 2i1t h PHE 7 Ca 0.00 -0.50 -0.58 0.00 3.53 0.00 0.00 57.97 60.42 2i1t h PHE 7 Cb 0.00 -0.03 -0.39 0.00 2.79 0.00 0.00 35.95 38.32 2i1t h PHE 7 CO 0.00 1.46 -0.98 1.87 -2.23 0.00 0.00 178.31 178.43 2i1t n TRP 8 N -3.93 -0.03 -3.22 0.41 -0.00 -1.25 -3.86 117.44 105.57 2i1t n TRP 8 Ca -0.17 -3.56 -0.20 0.00 -0.00 0.00 0.00 57.50 53.57 2i1t n TRP 8 Cb 0.94 -0.13 0.02 0.00 -0.00 0.00 0.00 31.31 32.14 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 -0.79 2.17 0.05 5.87 0.52 -0.93 -4.87 118.94 120.95 2i1t s TRP 9 Ca 0.34 -0.58 -0.19 0.00 0.02 0.00 0.00 56.10 55.69 2i1t s TRP 9 Cb 0.10 -2.23 -0.06 0.00 -1.15 0.00 0.00 33.47 30.13 2i1t s TRP 9 CO -0.14 -0.62 0.54 0.15 0.02 0.00 0.00 176.95 176.89 2i1t s LYS 10 N -4.41 4.17 0.12 4.98 1.02 -1.26 0.27 119.74 124.62 2i1t s LYS 10 Ca 0.54 0.67 -0.13 0.00 0.02 0.00 0.00 55.97 57.06 2i1t s LYS 10 Cb -0.06 -3.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.01 2i1t s LYS 10 CO 0.33 0.61 0.33 0.00 -0.92 0.00 0.00 175.35 175.69 2i1t n GLY 12 N -0.18 1.02 1.61 0.00 0.00 -1.26 -3.41 105.19 102.97 2i1t n GLY 12 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 1.77 0.00 1.61 5.12 -1.26 -1.74 116.66 122.16 2i1t n ARG 13 Ca 0.00 -1.59 0.00 0.00 -1.93 0.00 0.00 57.85 54.33 2i1t n ARG 13 Cb 0.00 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 29.66 2i1t n ARG 13 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i1t n GLY 14 N -0.31 1.53 0.13 -0.13 0.00 -1.26 -4.97 105.19 100.18 2i1t n GLY 14 Ca 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 2i1t n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i1t h LYS 15 N 0.00 -0.22 -6.43 1.61 6.56 -1.95 -3.44 116.57 112.71 2i1t h LYS 15 Ca 0.00 0.01 -0.54 0.00 -1.06 0.00 0.00 60.65 59.07 2i1t h LYS 15 Cb 0.00 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.70 2i1t h LYS 15 CO 0.00 -0.14 0.58 -1.25 -2.06 0.00 0.00 179.45 176.58 2i1t s PRO 16 N -2.28 4.42 -0.32 3.15 0.04 -1.26 -4.96 135.00 133.80 2i1t s PRO 16 Ca -0.03 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 2i1t s PRO 16 Cb 0.00 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 2i1t s PRO 16 CO 0.10 -0.29 1.63 -1.25 0.04 0.00 0.00 177.00 177.23 2i1t s PRO 17 N 1.38 3.56 0.58 0.56 0.04 -1.26 -4.94 135.00 134.91 2i1t s PRO 17 Ca 0.57 1.37 -0.08 0.00 0.04 0.00 0.00 61.00 62.90 2i1t s PRO 17 Cb -0.27 -4.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.15 2i1t s PRO 17 CO 0.27 -1.59 0.93 0.00 0.04 0.00 0.00 177.00 176.66 2i1t n LYS 20 N -1.81 2.20 0.00 0.00 4.81 -1.26 -1.27 118.16 120.83 2i1t n LYS 20 Ca 0.15 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 2i1t n LYS 20 Cb 0.49 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.91 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 4.12 1.86 3.92 3.14 0.00 -1.26 -5.08 105.19 111.88 2i1t n GLY 21 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.99 3.51 0.03 1.61 2.02 -0.40 -3.95 117.35 118.18 2i1t s TYR 22 Ca 0.00 0.66 0.04 0.00 -0.37 0.00 0.00 57.07 57.40 2i1t s TYR 22 Cb 0.00 -2.23 -0.02 0.00 -0.40 0.00 0.00 41.96 39.31 2i1t s TYR 22 CO 0.00 -0.22 -0.11 0.00 -1.57 0.00 0.00 175.55 173.65 2i1t s ALA 23 N -2.65 0.92 0.49 3.71 0.00 0.19 -4.84 121.76 119.57 2i1t s ALA 23 Ca 0.46 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 2i1t s ALA 23 Cb -0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 2i1t s ALA 23 CO 0.42 0.16 0.76 0.00 0.00 0.00 0.00 175.76 177.10 2i1t s SER 25 N -4.19 3.30 0.44 0.00 0.01 0.33 -4.93 113.70 108.66 2i1t s SER 25 Ca 0.49 -1.81 0.11 0.00 1.31 0.00 0.00 55.95 56.04 2i1t s SER 25 Cb -0.10 -0.44 0.96 0.00 0.21 0.00 0.00 66.02 66.65 2i1t s SER 25 CO 0.42 -0.37 2.04 0.07 0.41 0.00 0.00 173.24 175.81 2i1t h LYS 26 N 7.63 0.26 -0.21 12.44 2.10 -1.60 0.65 116.57 137.84 2i1t h LYS 26 Ca -0.06 -0.03 -0.19 0.00 -2.00 0.00 0.00 60.65 58.37 2i1t h LYS 26 Cb 0.99 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 2i1t h LYS 26 CO 0.36 0.25 -0.63 1.15 -2.00 0.00 0.00 179.45 178.58 2i1t h THR 27 N 0.26 1.30 0.04 0.07 2.02 -1.94 -3.32 112.91 111.33 2i1t h THR 27 Ca 0.06 -1.86 -0.12 0.00 0.77 0.00 0.00 66.41 65.27 2i1t h THR 27 Cb 0.12 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2i1t h THR 27 CO -0.00 0.59 -0.61 -0.50 0.37 0.00 0.00 175.52 175.37 2i1t h TRP 28 N 0.54 0.15 0.00 3.16 6.55 -1.82 -3.49 115.95 121.05 2i1t h TRP 28 Ca -0.01 -0.11 0.00 0.00 0.95 0.00 0.00 58.89 59.72 2i1t h TRP 28 Cb 1.23 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.52 2i1t h TRP 28 CO 0.07 1.24 0.00 0.41 -1.05 0.00 0.00 178.44 179.10 2i1t n GLY 29 N 1.60 1.48 3.57 1.49 0.00 0.22 -5.09 105.19 108.46 2i1t n GLY 29 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 0.84 -0.07 1.61 -2.14 -1.19 -2.63 118.94 113.37 2i1t s TRP 30 Ca 0.00 -1.18 0.03 0.00 2.66 0.00 0.00 56.10 57.61 2i1t s TRP 30 Cb 0.00 0.14 0.01 0.00 -3.10 0.00 0.00 33.47 30.52 2i1t s TRP 30 CO 0.00 -1.25 -0.14 0.00 -2.66 0.00 0.00 176.95 172.90 2i1t s ALA 32 N 0.58 0.62 0.05 0.00 0.00 -0.34 -2.19 121.76 120.47 2i1t s ALA 32 Ca -0.14 -1.46 -0.31 0.00 0.00 0.00 0.00 51.96 50.06 2i1t s ALA 32 Cb -0.16 1.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.98 2i1t s ALA 32 CO 0.04 -0.82 1.34 0.08 0.00 0.00 0.00 175.76 176.40 2i1t s VAL 33 N -2.78 3.69 -0.46 0.00 1.01 -1.26 0.52 120.40 121.13 2i1t s VAL 33 Ca 0.29 1.16 0.23 0.00 0.00 0.00 0.00 61.98 63.65 2i1t s VAL 33 Cb -0.01 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.65 2i1t s VAL 33 CO 0.20 0.05 1.20 1.05 0.00 0.00 0.00 175.10 177.60 2i1t h GLU 34 N 7.27 0.00 -5.42 2.72 -0.00 -1.88 -3.46 114.58 113.81 2i1t h GLU 34 Ca -0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 58.92 2i1t h GLU 34 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 2i1t h GLU 34 CO 0.87 0.00 -0.67 0.00 -0.00 0.00 0.00 179.01 179.21 2i1t n ALA 35 N -1.99 -2.99 1.10 1.06 0.00 -1.26 -5.10 120.51 111.34 2i1t n ALA 35 Ca 0.02 0.96 0.09 0.00 0.00 0.00 0.00 53.44 54.51 2i1t n ALA 35 Cb 0.49 -3.14 0.52 0.00 0.00 0.00 0.00 19.45 17.32 2i1t n ALA 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15