#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 -3.44 3.08 0.27 0.00 -1.26 -4.99 105.19 98.85 2i1t n GLY 2 Ca 0.00 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.63 2.52 0.03 1.61 2.02 -1.26 -5.06 118.70 117.93 2i1t s GLU 3 Ca -0.02 -2.57 -0.01 0.00 0.02 0.00 0.00 54.97 52.40 2i1t s GLU 3 Cb 0.00 -3.69 -0.02 0.00 0.10 0.00 0.00 34.13 30.52 2i1t s GLU 3 CO 0.28 -1.17 -0.02 0.00 0.02 0.00 0.00 175.26 174.37 2i1t n GLY 5 N 1.30 0.73 0.00 0.00 0.00 -1.12 -4.72 105.19 101.38 2i1t n GLY 5 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 4.40 0.09 -0.02 0.00 -1.26 -4.70 105.19 108.70 2i1t n GLY 6 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.37 2i1t n GLY 6 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2i1t n PHE 7 N 0.00 0.97 -3.03 1.61 3.01 -1.26 -4.67 117.46 114.09 2i1t n PHE 7 Ca 0.00 0.33 -0.17 0.00 1.01 0.00 0.00 57.45 58.63 2i1t n PHE 7 Cb 0.00 -1.12 -0.03 0.00 -0.01 0.00 0.00 39.48 38.32 2i1t n PHE 7 CO 0.00 0.00 0.00 1.87 1.01 0.00 0.00 176.76 179.64 2i1t n TRP 8 N -2.94 -1.94 -4.08 1.38 -0.00 -1.22 -4.01 117.44 104.63 2i1t n TRP 8 Ca -0.13 -2.61 -0.23 0.00 -0.00 0.00 0.00 57.50 54.54 2i1t n TRP 8 Cb 0.92 0.64 -0.04 0.00 -0.00 0.00 0.00 31.31 32.83 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 -0.03 3.19 -0.06 5.87 0.52 -0.96 -4.85 118.94 122.61 2i1t s TRP 9 Ca 0.33 -0.07 -0.19 0.00 0.02 0.00 0.00 56.10 56.19 2i1t s TRP 9 Cb 0.13 -1.46 -0.05 0.00 -1.15 0.00 0.00 33.47 30.94 2i1t s TRP 9 CO -0.16 0.51 0.52 0.15 0.02 0.00 0.00 176.95 177.99 2i1t s LYS 10 N -3.73 4.28 0.25 4.98 3.01 -1.26 0.13 119.74 127.40 2i1t s LYS 10 Ca 0.33 0.57 -0.12 0.00 -1.01 0.00 0.00 55.97 55.74 2i1t s LYS 10 Cb -0.08 -3.38 -0.01 0.00 -1.01 0.00 0.00 37.83 33.35 2i1t s LYS 10 CO 0.26 0.29 0.45 0.00 0.51 0.00 0.00 175.35 176.86 2i1t n GLY 12 N -0.38 0.73 2.03 0.00 0.00 -1.26 -3.77 105.19 102.53 2i1t n GLY 12 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 1.98 -1.61 1.61 0.00 -1.26 -3.39 116.66 113.99 2i1t n ARG 13 Ca 0.00 -1.85 0.00 0.00 -0.00 0.00 0.00 57.85 56.00 2i1t n ARG 13 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 32.46 30.70 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 0.30 0.85 0.19 5.14 0.00 -1.26 -4.95 105.19 105.46 2i1t n GLY 14 Ca 0.36 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.36 -6.67 1.61 3.64 -1.94 -3.43 116.57 109.41 2i1t h LYS 15 Ca 0.00 0.02 -0.52 0.00 -1.27 0.00 0.00 60.65 58.89 2i1t h LYS 15 Cb 0.74 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2i1t h LYS 15 CO 0.00 -0.02 0.51 -1.25 -2.27 0.00 0.00 179.45 176.42 2i1t s PRO 16 N -4.07 4.56 -0.45 1.90 0.04 -1.26 -4.96 135.00 130.76 2i1t s PRO 16 Ca -0.13 1.78 -0.28 0.00 0.04 0.00 0.00 61.00 62.41 2i1t s PRO 16 Cb 0.01 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 31.30 2i1t s PRO 16 CO 0.48 0.02 1.59 -1.25 0.04 0.00 0.00 177.00 177.89 2i1t s PRO 17 N -0.41 3.30 1.02 0.56 0.04 -1.26 -4.96 135.00 133.29 2i1t s PRO 17 Ca 0.50 0.93 -0.16 0.00 0.04 0.00 0.00 61.00 62.31 2i1t s PRO 17 Cb -0.31 -4.15 0.20 0.00 0.04 0.00 0.00 34.50 30.28 2i1t s PRO 17 CO 0.36 -1.91 1.19 0.00 0.04 0.00 0.00 177.00 176.68 2i1t n LYS 20 N -0.02 0.67 0.00 0.00 2.85 -1.26 -0.97 118.16 119.44 2i1t n LYS 20 Ca 0.04 0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.55 2i1t n LYS 20 Cb 0.52 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 2i1t n LYS 20 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2i1t n GLY 21 N 2.60 2.54 3.83 2.58 0.00 -1.26 -5.06 105.19 110.41 2i1t n GLY 21 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.48 3.55 0.12 1.61 2.02 -0.14 -3.90 117.35 118.13 2i1t s TYR 22 Ca 0.00 0.51 0.10 0.00 -0.37 0.00 0.00 57.07 57.31 2i1t s TYR 22 Cb 0.00 -2.05 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 2i1t s TYR 22 CO 0.00 0.58 -0.23 0.00 -1.57 0.00 0.00 175.55 174.33 2i1t s ALA 23 N -0.56 2.51 0.45 3.71 0.00 0.09 -4.63 121.76 123.33 2i1t s ALA 23 Ca 0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 51.96 50.65 2i1t s ALA 23 Cb -0.12 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 2i1t s ALA 23 CO 0.03 0.56 0.72 0.00 0.00 0.00 0.00 175.76 177.07 2i1t s SER 25 N -4.09 3.02 0.21 0.00 0.01 0.11 -4.80 113.70 108.16 2i1t s SER 25 Ca 0.45 -0.84 -0.03 0.00 1.31 0.00 0.00 55.95 56.84 2i1t s SER 25 Cb -0.10 -0.72 0.19 0.00 0.21 0.00 0.00 66.02 65.60 2i1t s SER 25 CO 0.42 -0.28 1.60 0.50 0.41 0.00 0.00 173.24 175.89 2i1t h LYS 26 N 8.18 0.67 -0.47 12.44 1.63 -1.85 0.76 116.57 137.93 2i1t h LYS 26 Ca -0.17 -0.31 -0.09 0.00 -0.85 0.00 0.00 60.65 59.22 2i1t h LYS 26 Cb 1.11 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.71 2i1t h LYS 26 CO 0.35 0.91 -0.08 1.15 -3.45 0.00 0.00 179.45 178.34 2i1t h THR 27 N 0.56 1.26 0.03 1.00 2.02 -1.94 -3.27 112.91 112.57 2i1t h THR 27 Ca 0.06 -1.15 -0.18 0.00 0.77 0.00 0.00 66.41 65.91 2i1t h THR 27 Cb 0.85 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 2i1t h THR 27 CO 0.07 0.40 -0.96 -0.50 0.37 0.00 0.00 175.52 174.90 2i1t h TRP 28 N 0.76 0.13 0.00 3.16 6.55 -1.93 -3.49 115.95 121.13 2i1t h TRP 28 Ca 0.13 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.88 2i1t h TRP 28 Cb 0.57 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.86 2i1t h TRP 28 CO 0.03 1.38 0.00 0.41 -1.05 0.00 0.00 178.44 179.21 2i1t n GLY 29 N 1.57 1.34 3.57 1.49 0.00 0.26 -5.07 105.19 108.35 2i1t n GLY 29 Ca -0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 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 0.89 -0.10 1.61 -2.14 -1.15 -2.06 118.94 113.98 2i1t s TRP 30 Ca 0.00 -1.22 0.03 0.00 2.66 0.00 0.00 56.10 57.58 2i1t s TRP 30 Cb 0.00 0.13 0.00 0.00 -3.10 0.00 0.00 33.47 30.51 2i1t s TRP 30 CO 0.00 -1.27 -0.22 0.00 -2.66 0.00 0.00 176.95 172.80 2i1t s ALA 32 N 0.49 0.67 -0.46 0.00 0.00 -0.50 -2.26 121.76 119.70 2i1t s ALA 32 Ca -0.16 -1.43 -0.28 0.00 0.00 0.00 0.00 51.96 50.09 2i1t s ALA 32 Cb -0.17 1.20 -0.01 0.00 0.00 0.00 0.00 23.12 24.14 2i1t s ALA 32 CO 0.06 -0.76 1.74 0.08 0.00 0.00 0.00 175.76 176.88 2i1t s VAL 33 N -3.52 3.52 -1.03 0.00 1.01 -1.26 -0.73 120.40 118.38 2i1t s VAL 33 Ca 0.31 0.46 -0.23 0.00 0.00 0.00 0.00 61.98 62.52 2i1t s VAL 33 Cb 0.01 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.55 2i1t s VAL 33 CO 0.17 -0.70 1.46 -1.61 0.00 0.00 0.00 175.10 174.41 2i1t s GLU 34 N 6.05 3.60 0.00 2.72 0.41 -1.25 -4.92 118.70 125.31 2i1t s GLU 34 Ca 0.71 -1.15 -0.19 0.00 -0.41 0.00 0.00 54.97 53.92 2i1t s GLU 34 Cb -0.17 -5.36 0.04 0.00 -1.78 0.00 0.00 34.13 26.86 2i1t s GLU 34 CO 0.28 -2.21 0.42 0.00 -0.49 0.00 0.00 175.26 173.27 2i1t s ALA 35 N 4.93 -1.06 -2.00 5.21 0.00 -1.26 -4.98 121.76 122.60 2i1t s ALA 35 Ca 0.46 0.50 0.20 0.00 0.00 0.00 0.00 51.96 53.12 2i1t s ALA 35 Cb 0.00 0.18 1.19 0.00 0.00 0.00 0.00 23.12 24.48 2i1t s ALA 35 CO -0.09 -0.36 1.57 -0.35 0.00 0.00 0.00 175.76 176.53