#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 2.33 -0.75 0.44 0.00 -1.26 -4.92 107.32 103.16 2i1t s GLY 2 Ca 0.00 0.89 -0.05 0.00 0.00 0.00 0.00 44.72 45.57 2i1t s GLY 2 CO 0.00 2.09 2.69 -1.84 0.00 0.00 0.00 173.10 176.05 2i1t n GLU 3 N 3.94 3.17 -4.26 2.90 0.28 -1.26 -4.91 120.64 120.50 2i1t n GLU 3 Ca 0.09 -2.65 -0.16 0.00 -0.16 0.00 0.00 57.16 54.28 2i1t n GLU 3 Cb 0.46 -2.32 -0.10 0.00 1.43 0.00 0.00 31.44 30.90 2i1t n GLU 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2i1t n GLY 5 N 0.10 0.46 0.00 0.00 0.00 -0.96 -4.74 105.19 100.05 2i1t n GLY 5 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 4.95 3.74 0.09 -0.02 0.00 -1.26 -4.75 105.19 107.94 2i1t n GLY 6 Ca 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 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 0.31 -2.16 1.61 3.57 -1.99 -3.41 116.94 114.87 2i1t h PHE 7 Ca 0.00 -0.23 -0.54 0.00 3.53 0.00 0.00 57.97 60.73 2i1t h PHE 7 Cb 0.00 -0.01 -0.36 0.00 2.79 0.00 0.00 35.95 38.37 2i1t h PHE 7 CO 0.00 1.19 -0.95 1.87 -2.23 0.00 0.00 178.31 178.19 2i1t n TRP 8 N -3.45 -1.15 -4.15 0.41 -0.00 -1.23 -3.88 117.44 103.99 2i1t n TRP 8 Ca -0.07 -3.15 -0.25 0.00 -0.00 0.00 0.00 57.50 54.03 2i1t n TRP 8 Cb 1.00 0.30 -0.06 0.00 -0.00 0.00 0.00 31.31 32.55 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 -0.04 2.99 -0.03 5.87 0.52 -0.94 -4.87 118.94 122.44 2i1t s TRP 9 Ca 0.33 -0.10 -0.20 0.00 0.02 0.00 0.00 56.10 56.16 2i1t s TRP 9 Cb 0.06 -1.41 -0.05 0.00 -1.15 0.00 0.00 33.47 30.91 2i1t s TRP 9 CO -0.18 0.53 0.56 0.15 0.02 0.00 0.00 176.95 178.04 2i1t s LYS 10 N -3.24 4.29 0.20 4.98 1.02 -1.26 0.13 119.74 125.87 2i1t s LYS 10 Ca 0.30 0.66 -0.12 0.00 0.02 0.00 0.00 55.97 56.83 2i1t s LYS 10 Cb -0.09 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 2i1t s LYS 10 CO 0.22 0.35 0.41 0.00 -0.92 0.00 0.00 175.35 175.40 2i1t n GLY 12 N -0.31 1.12 1.62 0.00 0.00 -1.26 -3.66 105.19 102.70 2i1t n GLY 12 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 1.80 0.00 1.61 3.00 -1.26 -3.37 116.66 118.44 2i1t n ARG 13 Ca 0.00 -1.62 0.00 0.00 -0.01 0.00 0.00 57.85 56.22 2i1t n ARG 13 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 32.46 30.80 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 -0.32 1.46 0.39 -0.13 0.00 -1.26 -4.90 105.19 100.44 2i1t n GLY 14 Ca 0.31 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.94 -6.45 1.61 6.56 -1.92 -3.42 116.57 112.00 2i1t h LYS 15 Ca 0.00 0.06 -0.54 0.00 -1.06 0.00 0.00 60.65 59.12 2i1t h LYS 15 Cb 0.00 0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 31.87 2i1t h LYS 15 CO 0.00 -0.63 0.57 -1.25 -2.06 0.00 0.00 179.45 176.08 2i1t s PRO 16 N -4.84 4.43 -0.24 3.15 0.04 -1.26 -4.97 135.00 131.31 2i1t s PRO 16 Ca -0.14 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 2i1t s PRO 16 Cb 0.01 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 2i1t s PRO 16 CO 0.43 -0.27 1.52 -1.25 0.04 0.00 0.00 177.00 177.47 2i1t s PRO 17 N 1.24 3.83 0.80 0.56 0.04 -1.26 -4.93 135.00 135.29 2i1t s PRO 17 Ca 0.58 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 2i1t s PRO 17 Cb -0.28 -3.99 0.10 0.00 0.04 0.00 0.00 34.50 30.37 2i1t s PRO 17 CO 0.28 -1.25 1.15 0.00 0.04 0.00 0.00 177.00 177.22 2i1t n LYS 20 N -1.32 1.45 0.00 0.00 2.85 -1.26 -1.24 118.16 118.65 2i1t n LYS 20 Ca 0.12 0.52 0.00 0.00 -1.05 0.00 0.00 58.31 57.90 2i1t n LYS 20 Cb 0.48 -2.10 0.00 0.00 -0.65 0.00 0.00 35.03 32.76 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 2.25 2.88 3.89 2.58 0.00 -1.26 -5.05 105.19 110.49 2i1t n GLY 21 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.82 3.47 0.05 1.61 2.02 -0.37 -2.87 117.35 118.43 2i1t s TYR 22 Ca 0.00 0.76 0.02 0.00 -0.37 0.00 0.00 57.07 57.48 2i1t s TYR 22 Cb 0.00 -2.20 -0.03 0.00 -0.40 0.00 0.00 41.96 39.34 2i1t s TYR 22 CO 0.00 0.12 -0.07 0.00 -1.57 0.00 0.00 175.55 174.03 2i1t s ALA 23 N -2.12 0.60 0.49 3.71 0.00 0.51 -4.78 121.76 120.17 2i1t s ALA 23 Ca 0.46 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 2i1t s ALA 23 Cb -0.11 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 2i1t s ALA 23 CO 0.29 -0.07 0.75 0.00 0.00 0.00 0.00 175.76 176.74 2i1t s SER 25 N -4.19 3.96 0.42 0.00 0.01 0.11 -4.87 113.70 109.13 2i1t s SER 25 Ca 0.49 -1.57 0.08 0.00 1.31 0.00 0.00 55.95 56.26 2i1t s SER 25 Cb -0.10 -0.88 0.89 0.00 0.21 0.00 0.00 66.02 66.14 2i1t s SER 25 CO 0.42 -0.40 2.06 0.07 0.41 0.00 0.00 173.24 175.79 2i1t h LYS 26 N 8.08 0.47 -0.34 12.44 2.10 -1.84 0.69 116.57 138.16 2i1t h LYS 26 Ca -0.14 -0.03 -0.17 0.00 -2.00 0.00 0.00 60.65 58.31 2i1t h LYS 26 Cb 1.02 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2i1t h LYS 26 CO 0.46 0.33 -0.47 1.15 -2.00 0.00 0.00 179.45 178.92 2i1t h THR 27 N 0.48 1.27 0.00 0.07 2.02 -1.94 -3.33 112.91 111.48 2i1t h THR 27 Ca 0.13 -1.64 -0.05 0.00 0.77 0.00 0.00 66.41 65.62 2i1t h THR 27 Cb -0.02 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2i1t h THR 27 CO -0.02 0.54 -0.29 -0.50 0.37 0.00 0.00 175.52 175.62 2i1t h TRP 28 N 0.72 0.00 0.00 3.16 6.55 -1.82 -3.49 115.95 121.07 2i1t h TRP 28 Ca 0.04 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.88 2i1t h TRP 28 Cb 1.07 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.37 2i1t h TRP 28 CO 0.07 0.87 0.00 0.41 -1.05 0.00 0.00 178.44 178.74 2i1t n GLY 29 N 1.60 1.67 0.21 1.49 0.00 0.23 -5.07 105.19 105.33 2i1t n GLY 29 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.56 -0.62 -4.30 1.61 2.14 -1.21 -2.56 117.44 111.94 2i1t n TRP 30 Ca 0.00 -0.14 -0.21 0.00 2.07 0.00 0.00 57.50 59.22 2i1t n TRP 30 Cb 0.00 0.04 -0.16 0.00 -0.81 0.00 0.00 31.31 30.38 2i1t n TRP 30 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2i1t n ALA 32 N 3.84 -0.27 -2.20 0.00 0.00 -0.74 -2.21 120.51 118.93 2i1t n ALA 32 Ca -0.24 -0.99 -0.32 0.00 0.00 0.00 0.00 53.44 51.89 2i1t n ALA 32 Cb 0.52 0.79 -0.04 0.00 0.00 0.00 0.00 19.45 20.72 2i1t n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2i1t s VAL 33 N -2.65 3.57 -0.13 0.00 1.01 -1.26 -0.36 120.40 120.58 2i1t s VAL 33 Ca 0.17 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 61.90 2i1t s VAL 33 Cb -0.01 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.92 2i1t s VAL 33 CO 0.12 -1.24 0.02 -0.62 0.00 0.00 0.00 175.10 173.39 2i1t n GLU 34 N 8.93 1.82 -2.89 2.72 1.02 -1.25 -4.89 120.64 126.10 2i1t n GLU 34 Ca 0.34 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.19 2i1t n GLU 34 Cb 0.49 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.56 2i1t n GLU 34 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i1t s ALA 35 N -2.30 3.38 -2.00 0.62 0.00 -1.14 -4.96 121.76 115.37 2i1t s ALA 35 Ca -0.08 -0.27 0.18 0.00 0.00 0.00 0.00 51.96 51.79 2i1t s ALA 35 Cb 0.04 -2.65 1.05 0.00 0.00 0.00 0.00 23.12 21.56 2i1t s ALA 35 CO 0.49 -0.01 1.45 -0.35 0.00 0.00 0.00 175.76 177.34