#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnp s GLN 2 N 0.00 3.19 -0.19 -0.52 0.74 -1.26 -5.11 119.66 116.52 2nnp s GLN 2 Ca 0.00 -0.79 -0.00 0.00 0.05 0.00 0.00 55.36 54.61 2nnp s GLN 2 Cb 0.00 -2.45 0.01 0.00 1.10 0.00 0.00 33.01 31.67 2nnp s GLN 2 CO 0.00 0.20 -0.15 0.42 -0.55 0.00 0.00 175.29 175.21 2nnp s ILE 3 N 0.33 2.53 0.78 -2.34 1.01 -1.26 -5.11 121.20 117.13 2nnp s ILE 3 Ca -0.15 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 2nnp s ILE 3 Cb -0.17 -2.09 0.06 0.00 0.01 0.00 0.00 42.46 40.27 2nnp s ILE 3 CO 0.07 0.50 1.13 0.42 0.00 0.00 0.00 174.94 177.07 2nnp s THR 4 N 1.27 2.74 -0.18 2.92 -4.23 -1.26 -5.01 115.64 111.90 2nnp s THR 4 Ca 0.04 0.24 0.17 0.00 -1.18 0.00 0.00 61.69 60.95 2nnp s THR 4 Cb -0.14 -3.17 0.37 0.00 1.34 0.00 0.00 72.50 70.91 2nnp s THR 4 CO -0.08 -0.31 1.26 0.18 -0.54 0.00 0.00 174.62 175.12 2nnp n LEU 5 N -3.27 2.98 0.02 4.79 4.77 -1.26 -4.60 117.00 120.44 2nnp n LEU 5 Ca 0.07 -2.96 0.04 0.00 -0.03 0.00 0.00 56.01 53.13 2nnp n LEU 5 Cb 0.59 -0.45 0.43 0.00 -2.33 0.00 0.00 43.42 41.66 2nnp n LEU 5 CO 0.57 0.69 1.13 -0.50 -1.33 0.00 0.00 177.39 177.95 2nnp h TRP 6 N 0.82 0.48 -2.05 -1.77 4.06 -2.06 -3.43 115.95 111.99 2nnp h TRP 6 Ca 0.00 0.01 -0.60 0.00 2.06 0.00 0.00 58.89 60.36 2nnp h TRP 6 Cb 1.15 -0.16 -0.14 0.00 -1.00 0.00 0.00 29.16 29.01 2nnp h TRP 6 CO 0.21 0.32 -0.68 0.15 -3.56 0.00 0.00 178.44 174.89 2nnp s LYS 7 N -5.41 1.78 0.21 0.49 1.02 -1.26 -5.10 119.74 111.46 2nnp s LYS 7 Ca -0.08 -1.92 -0.32 0.00 0.02 0.00 0.00 55.97 53.67 2nnp s LYS 7 Cb 0.17 -1.61 -0.13 0.00 -0.52 0.00 0.00 37.83 35.74 2nnp s LYS 7 CO 0.73 0.12 1.51 0.54 -0.92 0.00 0.00 175.35 177.33 2nnp n ARG 8 N -0.76 2.16 -2.47 1.68 1.74 -1.26 -4.84 116.66 112.90 2nnp n ARG 8 Ca -0.05 0.77 -0.43 0.00 -0.77 0.00 0.00 57.85 57.37 2nnp n ARG 8 Cb 0.64 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 2nnp n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2nnp n PRO 9 N 2.73 3.16 -3.54 5.56 -0.04 -1.26 -4.94 135.00 136.66 2nnp n PRO 9 Ca 0.14 -3.20 -0.37 0.00 -0.04 0.00 0.00 63.50 60.02 2nnp n PRO 9 Cb 0.31 -3.45 -0.06 0.00 -0.04 0.00 0.00 33.50 30.25 2nnp n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2nnp s LEU 10 N 3.83 4.38 0.17 1.53 1.43 -1.26 -1.07 118.68 127.68 2nnp s LEU 10 Ca 0.53 0.76 0.02 0.00 -1.03 0.00 0.00 54.13 54.41 2nnp s LEU 10 Cb 0.05 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 2nnp s LEU 10 CO 0.05 0.24 -0.02 0.68 0.23 0.00 0.00 176.35 177.53 2nnp s VAL 11 N -0.45 0.79 0.09 -1.59 -7.23 0.20 -4.93 120.40 107.28 2nnp s VAL 11 Ca 0.21 -1.99 -0.28 0.00 -1.81 0.00 0.00 61.98 58.11 2nnp s VAL 11 Cb -0.15 -2.08 -0.06 0.00 0.56 0.00 0.00 36.38 34.66 2nnp s VAL 11 CO 0.09 -0.53 0.87 -0.89 -0.31 0.00 0.00 175.10 174.33 2nnp s THR 12 N -3.58 4.56 0.23 5.32 2.01 -1.26 -0.70 115.64 122.21 2nnp s THR 12 Ca 0.22 1.87 0.10 0.00 0.31 0.00 0.00 61.69 64.20 2nnp s THR 12 Cb 0.05 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 2nnp s THR 12 CO 0.03 0.36 -0.19 0.27 -0.69 0.00 0.00 174.62 174.40 2nnp s ILE 13 N -0.17 2.17 -0.13 1.82 -4.36 0.77 -1.16 121.20 120.15 2nnp s ILE 13 Ca 0.42 -2.21 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 2nnp s ILE 13 Cb -0.22 -2.13 0.02 0.00 1.25 0.00 0.00 42.46 41.38 2nnp s ILE 13 CO 0.27 -0.38 -0.17 -0.75 0.24 0.00 0.00 174.94 174.15 2nnp s LYS 14 N -3.26 2.50 -0.12 0.37 2.20 -0.04 -1.31 119.74 120.08 2nnp s LYS 14 Ca 0.24 -0.66 -0.08 0.00 -0.36 0.00 0.00 55.97 55.11 2nnp s LYS 14 Cb -0.05 -2.12 0.04 0.00 -1.51 0.00 0.00 37.83 34.19 2nnp s LYS 14 CO 0.11 -0.09 0.30 -1.50 -0.36 0.00 0.00 175.35 173.81 2nnp s ILE 15 N 1.05 -0.02 -1.76 5.43 2.07 -0.59 -1.01 121.20 126.37 2nnp s ILE 15 Ca -0.04 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 2nnp s ILE 15 Cb -0.15 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 42.00 2nnp s ILE 15 CO -0.04 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 2nnp n GLY 16 N 3.68 -0.02 2.25 1.50 0.00 -1.26 -1.16 105.19 110.18 2nnp n GLY 16 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2nnp n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnp n GLY 17 N -0.86 0.76 3.30 -0.02 0.00 -1.26 -5.04 105.19 102.06 2nnp n GLY 17 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 2nnp n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nnp s GLN 18 N -0.11 1.66 0.01 1.61 -0.21 -0.31 -5.13 119.66 117.19 2nnp s GLN 18 Ca 0.00 -1.00 -0.16 0.00 0.02 0.00 0.00 55.36 54.21 2nnp s GLN 18 Cb 0.00 -1.78 -0.06 0.00 1.00 0.00 0.00 33.01 32.18 2nnp s GLN 18 CO 0.00 0.46 0.46 -0.51 -2.12 0.00 0.00 175.29 173.58 2nnp s LEU 19 N -1.11 4.48 0.07 2.90 1.43 -1.26 -1.54 118.68 123.65 2nnp s LEU 19 Ca 0.10 1.04 -0.04 0.00 -1.03 0.00 0.00 54.13 54.20 2nnp s LEU 19 Cb -0.09 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 2nnp s LEU 19 CO 0.01 0.29 0.05 -0.54 0.23 0.00 0.00 176.35 176.39 2nnp s LYS 20 N -0.97 0.70 -0.07 1.70 1.02 -0.43 -4.99 119.74 116.71 2nnp s LYS 20 Ca 0.25 -1.14 -0.10 0.00 0.02 0.00 0.00 55.97 55.00 2nnp s LYS 20 Cb -0.17 0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 37.35 2nnp s LYS 20 CO 0.15 -0.17 0.24 -1.21 -0.92 0.00 0.00 175.35 173.44 2nnp s GLU 21 N -3.91 3.62 0.03 1.68 0.41 -1.26 -0.16 118.70 119.11 2nnp s GLU 21 Ca 0.07 0.07 -0.06 0.00 -0.41 0.00 0.00 54.97 54.63 2nnp s GLU 21 Cb 0.07 -3.19 -0.01 0.00 -1.78 0.00 0.00 34.13 29.22 2nnp s GLU 21 CO -0.10 0.74 0.12 0.00 -0.49 0.00 0.00 175.26 175.53 2nnp s ALA 22 N -1.07 -0.15 -0.22 5.21 0.00 0.12 -4.36 121.76 121.30 2nnp s ALA 22 Ca 0.19 -0.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.54 2nnp s ALA 22 Cb -0.14 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2nnp s ALA 22 CO 0.08 -0.31 0.41 -1.17 0.00 0.00 0.00 175.76 174.78 2nnp s LEU 23 N -1.99 4.13 -0.39 0.00 2.96 0.67 -0.63 118.68 123.43 2nnp s LEU 23 Ca -0.07 0.49 -0.29 0.00 -0.22 0.00 0.00 54.13 54.04 2nnp s LEU 23 Cb -0.02 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.16 2nnp s LEU 23 CO -0.03 -0.12 1.21 -0.76 -1.32 0.00 0.00 176.35 175.32 2nnp s LEU 24 N 1.54 3.75 -0.41 -0.68 1.43 -0.24 -0.59 118.68 123.50 2nnp s LEU 24 Ca 0.19 0.84 0.02 0.00 -1.03 0.00 0.00 54.13 54.15 2nnp s LEU 24 Cb -0.15 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.65 2nnp s LEU 24 CO 0.08 -1.15 0.18 -0.62 0.23 0.00 0.00 176.35 175.07 2nnp s ASP 25 N 2.59 4.09 0.53 2.29 -1.08 -0.20 -4.79 116.67 120.10 2nnp s ASP 25 Ca 0.51 -2.41 0.35 0.00 -0.52 0.00 0.00 52.55 50.48 2nnp s ASP 25 Cb -0.12 -1.24 1.65 0.00 -1.46 0.00 0.00 42.92 41.75 2nnp s ASP 25 CO 0.26 -0.31 2.05 0.71 0.52 0.00 0.00 175.17 178.40 2nnp h THR 26 N 5.82 0.00 -0.18 1.71 1.35 -1.93 -2.41 112.91 117.27 2nnp h THR 26 Ca -0.06 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2nnp h THR 26 Cb 0.96 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2nnp h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 2nnp n GLY 27 N -0.43 0.27 3.47 5.82 0.00 -1.26 -4.82 105.19 108.23 2nnp n GLY 27 Ca -0.01 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 2nnp n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnp s ALA 28 N -1.77 3.12 0.28 4.61 0.00 -0.91 -4.98 121.76 122.12 2nnp s ALA 28 Ca 0.31 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 2nnp s ALA 28 Cb 0.16 -1.88 0.41 0.00 0.00 0.00 0.00 23.12 21.81 2nnp s ALA 28 CO 0.24 -0.21 1.80 -0.44 0.00 0.00 0.00 175.76 177.16 2nnp h ASP 29 N 7.62 0.70 -2.03 0.00 3.32 -1.87 -0.56 116.42 123.60 2nnp h ASP 29 Ca -0.37 -0.15 -0.62 0.00 0.02 0.00 0.00 57.03 55.92 2nnp h ASP 29 Cb 1.18 -0.18 -0.14 0.00 0.22 0.00 0.00 39.33 40.41 2nnp h ASP 29 CO 0.61 0.75 -0.70 -1.81 -1.72 0.00 0.00 179.24 176.37 2nnp s ASP 30 N -6.65 3.71 -0.25 6.45 1.01 -1.26 -3.29 116.67 116.39 2nnp s ASP 30 Ca -0.09 -1.13 -0.10 0.00 0.71 0.00 0.00 52.55 51.94 2nnp s ASP 30 Cb 0.15 -0.34 -0.05 0.00 1.01 0.00 0.00 42.92 43.69 2nnp s ASP 30 CO 0.80 -0.12 0.15 -0.89 0.21 0.00 0.00 175.17 175.31 2nnp s THR 31 N -2.57 5.12 -0.17 -1.27 2.01 -1.26 -3.11 115.64 114.38 2nnp s THR 31 Ca 0.32 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.42 2nnp s THR 31 Cb -0.00 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 69.14 2nnp s THR 31 CO 0.16 0.32 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.62 2nnp s VAL 32 N 1.31 1.52 -0.06 3.82 1.01 -0.32 -0.91 120.40 126.76 2nnp s VAL 32 Ca 0.07 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2nnp s VAL 32 Cb -0.14 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2nnp s VAL 32 CO 0.06 0.27 -0.11 -0.63 0.00 0.00 0.00 175.10 174.69 2nnp s ILE 33 N 1.47 3.30 0.72 2.22 -1.09 0.76 -0.50 121.20 128.08 2nnp s ILE 33 Ca 0.01 -0.63 -0.16 0.00 -2.23 0.00 0.00 60.65 57.65 2nnp s ILE 33 Cb -0.15 -2.32 0.02 0.00 -1.58 0.00 0.00 42.46 38.43 2nnp s ILE 33 CO -0.09 0.59 1.10 -0.62 -1.23 0.00 0.00 174.94 174.68 2nnp n GLU 34 N 2.39 0.59 -1.63 2.79 1.02 -1.26 -1.64 120.64 122.91 2nnp n GLU 34 Ca -0.17 0.26 -0.56 0.00 -0.02 0.00 0.00 57.16 56.66 2nnp n GLU 34 Cb 0.52 -2.34 -0.07 0.00 -0.02 0.00 0.00 31.44 29.53 2nnp n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2nnp n GLU 35 N -2.16 0.87 -3.56 3.49 4.07 -0.99 -4.63 120.64 117.73 2nnp n GLU 35 Ca 0.14 0.32 -0.16 0.00 -0.06 0.00 0.00 57.16 57.40 2nnp n GLU 35 Cb 0.49 -1.94 -0.06 0.00 -0.06 0.00 0.00 31.44 29.88 2nnp n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nnp s MET 36 N 1.61 1.02 -1.36 5.31 0.23 -1.26 -5.02 119.30 119.82 2nnp s MET 36 Ca 0.92 -0.00 -0.10 0.00 -1.03 0.00 0.00 55.69 55.48 2nnp s MET 36 Cb -1.09 0.47 0.11 0.00 -1.53 0.00 0.00 34.83 32.79 2nnp s MET 36 CO 0.58 -0.34 2.15 0.43 -2.03 0.00 0.00 175.02 175.81 2nnp n SER 37 N 0.71 5.79 -4.76 -1.18 7.64 -1.26 -5.01 113.62 115.54 2nnp n SER 37 Ca -0.19 -3.01 -0.41 0.00 1.01 0.00 0.00 58.87 56.27 2nnp n SER 37 Cb 0.58 -1.50 -0.03 0.00 -1.01 0.00 0.00 64.21 62.25 2nnp n SER 37 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2nnp s LEU 38 N -0.06 4.49 0.69 -3.43 1.02 -1.26 -5.02 118.68 115.11 2nnp s LEU 38 Ca 0.47 2.44 -0.11 0.00 0.02 0.00 0.00 54.13 56.94 2nnp s LEU 38 Cb 0.13 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.71 2nnp s LEU 38 CO -0.04 -0.33 1.08 -2.16 0.02 0.00 0.00 176.35 174.92 2nnp s PRO 39 N -1.43 3.02 0.00 1.29 0.04 -1.26 -4.97 135.00 131.69 2nnp s PRO 39 Ca 0.47 0.54 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2nnp s PRO 39 Cb -0.35 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2nnp s PRO 39 CO 0.45 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.97 2nnp n GLY 40 N -2.92 0.70 3.83 0.56 0.00 -1.26 -4.99 105.19 101.10 2nnp n GLY 40 Ca 0.07 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 2nnp n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nnp s ARG 41 N -1.42 3.70 0.14 1.61 3.00 -1.26 -5.06 118.95 119.66 2nnp s ARG 41 Ca 0.00 1.02 -0.09 0.00 0.00 0.00 0.00 55.73 56.66 2nnp s ARG 41 Cb 0.00 -2.10 -0.01 0.00 0.00 0.00 0.00 34.95 32.85 2nnp s ARG 41 CO 0.00 -0.48 0.26 1.67 0.00 0.00 0.00 175.30 176.75 2nnp s TRP 42 N -2.61 0.32 -0.04 -0.53 1.48 -1.26 -4.60 118.94 111.70 2nnp s TRP 42 Ca 0.60 -0.70 0.05 0.00 -1.06 0.00 0.00 56.10 54.99 2nnp s TRP 42 Cb -0.12 -0.06 -0.01 0.00 -1.16 0.00 0.00 33.47 32.12 2nnp s TRP 42 CO 0.35 -0.67 -0.20 0.21 -4.06 0.00 0.00 176.95 172.58 2nnp s LYS 43 N -3.94 1.89 0.44 3.25 2.20 -0.42 -4.91 119.74 118.25 2nnp s LYS 43 Ca 0.14 -0.72 -0.24 0.00 -0.36 0.00 0.00 55.97 54.79 2nnp s LYS 43 Cb 0.04 -1.69 -0.08 0.00 -1.51 0.00 0.00 37.83 34.59 2nnp s LYS 43 CO -0.03 0.35 1.26 -2.14 -0.36 0.00 0.00 175.35 174.43 2nnp s PRO 44 N -0.21 3.79 0.07 4.03 0.02 -1.26 -0.71 135.00 140.72 2nnp s PRO 44 Ca 0.01 2.03 -0.08 0.00 0.02 0.00 0.00 61.00 62.98 2nnp s PRO 44 Cb -0.11 -2.57 -0.00 0.00 0.02 0.00 0.00 34.50 31.84 2nnp s PRO 44 CO 0.01 -0.60 0.17 0.21 -0.33 0.00 0.00 177.00 176.46 2nnp s LYS 45 N -2.47 0.76 -0.07 5.54 2.20 -0.72 -4.86 119.74 120.11 2nnp s LYS 45 Ca 0.61 -0.86 0.04 0.00 -0.36 0.00 0.00 55.97 55.41 2nnp s LYS 45 Cb -0.35 0.31 -0.00 0.00 -1.51 0.00 0.00 37.83 36.27 2nnp s LYS 45 CO 0.44 -0.23 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.35 2nnp s MET 46 N -3.36 2.48 0.09 4.03 -1.94 -1.26 -1.25 119.30 118.09 2nnp s MET 46 Ca 0.01 -0.77 0.07 0.00 -1.71 0.00 0.00 55.69 53.29 2nnp s MET 46 Cb 0.03 -1.99 -0.03 0.00 2.01 0.00 0.00 34.83 34.84 2nnp s MET 46 CO -0.08 0.23 -0.19 0.96 -0.01 0.00 0.00 175.02 175.93 2nnp s ILE 47 N 0.18 1.54 0.35 2.53 -4.36 -0.64 -4.96 121.20 115.84 2nnp s ILE 47 Ca -0.11 -1.48 0.06 0.00 -0.26 0.00 0.00 60.65 58.87 2nnp s ILE 47 Cb -0.15 -1.42 -0.07 0.00 1.25 0.00 0.00 42.46 42.07 2nnp s ILE 47 CO 0.05 -0.11 -0.01 -0.83 0.24 0.00 0.00 174.94 174.29 2nnp s GLY 48 N -1.86 2.19 0.00 6.27 0.00 -1.26 -0.63 107.32 112.02 2nnp s GLY 48 Ca 0.04 -2.12 0.00 0.00 0.00 0.00 0.00 44.72 42.64 2nnp s GLY 48 CO 0.04 -1.95 0.00 0.61 0.00 0.00 0.00 173.10 171.79 2nnp n GLY 49 N -0.78 1.34 0.35 0.20 0.00 -0.67 -4.99 105.19 100.64 2nnp n GLY 49 Ca -0.04 -0.26 0.18 0.00 0.00 0.00 0.00 46.02 45.89 2nnp n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2nnp h ILE 50 N 0.00 0.19 -0.00 -0.61 1.08 -2.03 -2.65 117.51 113.49 2nnp h ILE 50 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2nnp h ILE 50 Cb 0.00 0.77 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 2nnp h ILE 50 CO 0.00 0.00 -0.25 0.61 -0.69 0.00 0.00 178.15 177.82 2nnp n GLY 51 N -1.29 0.48 0.00 5.37 0.00 -1.26 -5.09 105.19 103.40 2nnp n GLY 51 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2nnp n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnp n GLY 52 N 1.12 0.69 3.47 -0.02 0.00 -1.00 -5.14 105.19 104.31 2nnp n GLY 52 Ca 0.01 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 2nnp n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nnp s PHE 53 N -3.50 2.38 0.13 1.61 0.40 -1.26 -1.68 117.98 116.07 2nnp s PHE 53 Ca 0.00 -0.32 0.07 0.00 -0.60 0.00 0.00 56.93 56.08 2nnp s PHE 53 Cb 0.00 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 2nnp s PHE 53 CO 0.00 0.54 -0.16 0.96 0.70 0.00 0.00 175.22 177.27 2nnp s ILE 54 N -1.85 1.48 -0.03 0.64 -4.36 0.19 -4.97 121.20 112.30 2nnp s ILE 54 Ca 0.24 -1.75 -0.21 0.00 -0.26 0.00 0.00 60.65 58.66 2nnp s ILE 54 Cb -0.08 -1.61 -0.05 0.00 1.25 0.00 0.00 42.46 41.98 2nnp s ILE 54 CO 0.12 -0.37 0.62 -0.54 0.24 0.00 0.00 174.94 175.01 2nnp s LYS 55 N -2.64 4.36 0.14 0.37 1.02 -1.26 -1.62 119.74 120.11 2nnp s LYS 55 Ca 0.10 0.75 0.01 0.00 0.02 0.00 0.00 55.97 56.86 2nnp s LYS 55 Cb -0.05 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2nnp s LYS 55 CO 0.04 0.27 -0.00 0.14 -0.92 0.00 0.00 175.35 174.87 2nnp s VAL 56 N 0.14 0.56 -0.23 3.17 -7.23 -0.38 -4.46 120.40 111.96 2nnp s VAL 56 Ca 0.32 -1.95 -0.09 0.00 -1.81 0.00 0.00 61.98 58.46 2nnp s VAL 56 Cb -0.18 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 2nnp s VAL 56 CO 0.17 -0.58 0.11 -0.13 -0.31 0.00 0.00 175.10 174.36 2nnp s ARG 57 N -3.92 3.90 -0.32 4.82 0.52 -0.05 -1.76 118.95 122.14 2nnp s ARG 57 Ca 0.21 -0.36 -0.18 0.00 -0.52 0.00 0.00 55.73 54.88 2nnp s ARG 57 Cb 0.06 -3.40 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 2nnp s ARG 57 CO 0.01 0.01 0.49 -1.14 0.02 0.00 0.00 175.30 174.69 2nnp s GLN 58 N 1.15 3.77 -0.17 3.54 0.74 0.11 -0.63 119.66 128.17 2nnp s GLN 58 Ca 0.06 -0.03 -0.03 0.00 0.05 0.00 0.00 55.36 55.40 2nnp s GLN 58 Cb -0.14 -3.75 -0.02 0.00 1.10 0.00 0.00 33.01 30.19 2nnp s GLN 58 CO 0.04 -0.53 -0.05 0.71 -0.55 0.00 0.00 175.29 174.92 2nnp s TYR 59 N 2.32 2.98 0.27 1.67 1.51 -0.25 -1.31 117.35 124.55 2nnp s TYR 59 Ca 0.19 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 2nnp s TYR 59 Cb -0.16 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 2nnp s TYR 59 CO 0.12 -0.17 0.46 -0.51 -1.11 0.00 0.00 175.55 174.34 2nnp s ASP 60 N 0.63 6.35 -1.40 2.29 -0.00 -1.26 -0.97 116.67 122.31 2nnp s ASP 60 Ca -0.03 0.40 -0.06 0.00 -0.00 0.00 0.00 52.55 52.86 2nnp s ASP 60 Cb -0.15 -2.01 0.04 0.00 -0.00 0.00 0.00 42.92 40.80 2nnp s ASP 60 CO 0.02 -0.15 0.87 0.00 -0.00 0.00 0.00 175.17 175.91 2nnp n GLN 61 N -1.21 -5.53 -3.35 8.23 1.13 -1.12 -4.91 117.38 110.62 2nnp n GLN 61 Ca -0.05 0.64 -0.38 0.00 -1.94 0.00 0.00 57.00 55.27 2nnp n GLN 61 Cb 0.55 -5.40 -0.06 0.00 0.11 0.00 0.00 30.24 25.44 2nnp n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2nnp s ILE 62 N -3.48 5.16 0.09 5.09 -1.09 0.14 -4.76 121.20 122.36 2nnp s ILE 62 Ca 0.32 0.92 -0.25 0.00 -2.23 0.00 0.00 60.65 59.41 2nnp s ILE 62 Cb -0.16 -3.80 -0.06 0.00 -1.58 0.00 0.00 42.46 36.86 2nnp s ILE 62 CO 0.81 0.37 0.77 -0.63 -1.23 0.00 0.00 174.94 175.03 2nnp s ILE 63 N 0.35 4.61 -0.05 2.92 1.01 -1.26 -1.43 121.20 127.34 2nnp s ILE 63 Ca 0.25 1.66 -0.03 0.00 0.00 0.00 0.00 60.65 62.54 2nnp s ILE 63 Cb -0.15 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.22 2nnp s ILE 63 CO 0.11 0.42 0.12 -0.63 0.00 0.00 0.00 174.94 174.95 2nnp s ILE 64 N -0.41 -0.04 -0.18 2.92 1.01 -0.46 -4.40 121.20 119.64 2nnp s ILE 64 Ca 0.38 0.14 -0.09 0.00 0.00 0.00 0.00 60.65 61.08 2nnp s ILE 64 Cb -0.21 -0.20 -0.05 0.00 0.01 0.00 0.00 42.46 42.01 2nnp s ILE 64 CO 0.24 0.06 0.12 -0.70 0.00 0.00 0.00 174.94 174.66 2nnp s GLU 65 N 0.89 4.03 -0.26 2.79 2.12 -0.18 -0.46 118.70 127.63 2nnp s GLU 65 Ca -0.07 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.05 2nnp s GLU 65 Cb -0.09 -3.34 0.06 0.00 0.26 0.00 0.00 34.13 31.02 2nnp s GLU 65 CO -0.04 0.37 -0.06 0.42 -0.54 0.00 0.00 175.26 175.40 2nnp s ILE 66 N 0.15 1.81 -1.54 -3.70 1.01 0.10 -0.86 121.20 118.18 2nnp s ILE 66 Ca 0.08 -1.48 -0.11 0.00 0.00 0.00 0.00 60.65 59.14 2nnp s ILE 66 Cb -0.11 -2.05 0.08 0.00 0.01 0.00 0.00 42.46 40.39 2nnp s ILE 66 CO -0.01 -0.13 0.78 0.00 0.00 0.00 0.00 174.94 175.58 2nnp n ALA 67 N 4.55 -1.50 -0.43 9.38 0.00 -0.31 -0.82 120.51 131.38 2nnp n ALA 67 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2nnp n ALA 67 Cb 0.43 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.57 2nnp n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nnp n GLY 68 N -1.64 1.49 3.54 0.00 0.00 -1.26 -5.03 105.19 102.29 2nnp n GLY 68 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2nnp n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nnp s HIS 69 N -3.20 3.11 0.30 1.61 4.02 -0.00 -5.09 115.29 116.04 2nnp s HIS 69 Ca 0.00 -0.19 -0.25 0.00 1.02 0.00 0.00 55.06 55.64 2nnp s HIS 69 Cb 0.00 -2.04 -0.10 0.00 -1.02 0.00 0.00 32.58 29.42 2nnp s HIS 69 CO 0.00 -0.02 0.90 0.15 1.02 0.00 0.00 174.74 176.79 2nnp s LYS 70 N 0.55 4.53 0.13 1.40 1.02 -1.26 0.02 119.74 126.13 2nnp s LYS 70 Ca 0.00 1.25 -0.09 0.00 0.02 0.00 0.00 55.97 57.15 2nnp s LYS 70 Cb -0.14 -2.82 -0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2nnp s LYS 70 CO 0.02 0.31 0.25 0.00 -0.92 0.00 0.00 175.35 175.00 2nnp s ALA 71 N -1.59 -0.13 -0.13 5.17 0.00 0.39 -4.77 121.76 120.70 2nnp s ALA 71 Ca 0.49 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.65 2nnp s ALA 71 Cb -0.18 0.69 0.05 0.00 0.00 0.00 0.00 23.12 23.68 2nnp s ALA 71 CO 0.23 -0.59 0.30 -1.50 0.00 0.00 0.00 175.76 174.20 2nnp s ILE 72 N -3.92 -0.14 -0.48 0.00 2.07 -1.26 -1.35 121.20 116.12 2nnp s ILE 72 Ca 0.11 0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 2nnp s ILE 72 Cb 0.04 -0.46 0.00 0.00 0.13 0.00 0.00 42.46 42.17 2nnp s ILE 72 CO -0.05 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 2nnp n GLY 73 N 4.51 -0.60 3.71 1.50 0.00 -0.51 -4.87 105.19 108.93 2nnp n GLY 73 Ca -0.20 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 2nnp n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nnp s THR 74 N -3.00 4.81 -0.05 2.61 2.01 -1.26 -0.68 115.64 120.08 2nnp s THR 74 Ca 0.00 2.02 0.04 0.00 0.31 0.00 0.00 61.69 64.06 2nnp s THR 74 Cb 0.00 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.21 2nnp s THR 74 CO 0.00 0.20 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.28 2nnp s VAL 75 N 0.80 1.33 -0.18 3.82 1.01 -0.14 -4.48 120.40 122.55 2nnp s VAL 75 Ca 0.50 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 2nnp s VAL 75 Cb -0.21 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2nnp s VAL 75 CO 0.28 0.39 0.04 -0.76 0.00 0.00 0.00 175.10 175.05 2nnp s LEU 76 N 0.20 3.67 -0.14 3.92 1.43 -0.09 -1.09 118.68 126.58 2nnp s LEU 76 Ca -0.07 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2nnp s LEU 76 Cb -0.12 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 2nnp s LEU 76 CO 0.03 0.15 -0.11 -0.69 0.23 0.00 0.00 176.35 175.96 2nnp s VAL 77 N 0.50 3.19 -0.03 -1.59 1.01 0.19 -0.17 120.40 123.50 2nnp s VAL 77 Ca 0.02 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 2nnp s VAL 77 Cb -0.13 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.93 2nnp s VAL 77 CO 0.01 0.51 0.48 0.61 0.00 0.00 0.00 175.10 176.71 2nnp n GLY 78 N 3.66 0.32 3.57 4.51 0.00 -0.65 -0.87 105.19 115.72 2nnp n GLY 78 Ca -0.18 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 2nnp n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nnp s PRO 79 N -2.00 3.98 0.07 1.61 0.04 -1.26 -2.35 135.00 135.09 2nnp s PRO 79 Ca 0.11 -2.01 0.04 0.00 0.04 0.00 0.00 61.00 59.18 2nnp s PRO 79 Cb -0.00 -5.50 -0.04 0.00 0.04 0.00 0.00 34.50 29.00 2nnp s PRO 79 CO -0.01 -2.22 -0.01 -0.08 0.04 0.00 0.00 177.00 174.71 2nnp s THR 80 N 4.06 3.96 -0.93 1.26 -1.32 -1.26 -5.01 115.64 116.40 2nnp s THR 80 Ca 0.53 -0.93 0.28 0.00 -1.21 0.00 0.00 61.69 60.36 2nnp s THR 80 Cb 0.03 -2.85 0.23 0.00 -1.51 0.00 0.00 72.50 68.40 2nnp s THR 80 CO 0.07 0.18 1.85 -0.81 -2.21 0.00 0.00 174.62 173.70 2nnp n PRO 81 N 0.80 0.06 -3.85 7.08 -0.04 -1.26 -4.61 135.00 133.19 2nnp n PRO 81 Ca -0.12 0.05 -0.12 0.00 -0.04 0.00 0.00 63.50 63.27 2nnp n PRO 81 Cb 0.52 -1.57 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 2nnp n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nnp s VAL 82 N -3.03 -0.00 0.00 0.52 1.01 -1.26 -5.08 120.40 112.56 2nnp s VAL 82 Ca 0.13 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 2nnp s VAL 82 Cb 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.42 2nnp s VAL 82 CO 0.56 0.01 1.20 0.20 0.00 0.00 0.00 175.10 177.07 2nnp s ASN 83 N 0.10 7.07 -0.21 3.32 0.01 -1.26 -4.67 114.94 119.31 2nnp s ASN 83 Ca -0.01 1.92 -0.02 0.00 -0.71 0.00 0.00 52.86 54.05 2nnp s ASN 83 Cb -0.01 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.09 2nnp s ASN 83 CO -0.00 -0.52 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.27 2nnp s VAL 84 N 1.63 2.79 -0.44 1.60 1.01 0.34 -0.23 120.40 127.09 2nnp s VAL 84 Ca 0.57 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 2nnp s VAL 84 Cb -0.27 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 33.88 2nnp s VAL 84 CO 0.26 0.44 0.60 -0.63 0.00 0.00 0.00 175.10 175.77 2nnp s ILE 85 N 1.38 4.88 0.29 2.22 -1.09 0.25 -1.17 121.20 127.96 2nnp s ILE 85 Ca 0.05 -0.06 0.03 0.00 -2.23 0.00 0.00 60.65 58.43 2nnp s ILE 85 Cb -0.14 -4.19 0.05 0.00 -1.58 0.00 0.00 42.46 36.60 2nnp s ILE 85 CO -0.07 -0.59 0.40 0.61 -1.23 0.00 0.00 174.94 174.05 2nnp n GLY 86 N 5.07 1.47 0.23 6.18 0.00 -1.18 -1.03 105.19 115.93 2nnp n GLY 86 Ca -0.03 -2.10 0.08 0.00 0.00 0.00 0.00 46.02 43.96 2nnp n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2nnp h ARG 87 N 0.00 0.00 -0.32 1.61 3.08 -1.17 -1.09 114.38 116.49 2nnp h ARG 87 Ca -0.13 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.98 2nnp h ARG 87 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2nnp h ARG 87 CO 0.17 0.19 0.22 -2.95 -1.07 0.00 0.00 179.97 176.53 2nnp h ASN 88 N 0.00 0.14 0.00 7.04 -1.07 -1.81 -2.01 115.58 117.86 2nnp h ASN 88 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.03 2nnp h ASN 88 Cb 0.38 -0.03 -0.06 0.00 -2.07 0.00 0.00 38.32 36.53 2nnp h ASN 88 CO 0.02 0.09 -2.27 0.18 0.07 0.00 0.00 177.43 175.53 2nnp n LEU 89 N -4.47 0.00 -0.15 6.14 4.77 -0.80 -4.39 117.00 118.10 2nnp n LEU 89 Ca 0.04 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.03 2nnp n LEU 89 Cb 0.28 0.46 0.29 0.00 -2.33 0.00 0.00 43.42 42.12 2nnp n LEU 89 CO 0.35 0.46 1.19 -0.07 -1.33 0.00 0.00 177.39 177.99 2nnp h LEU 90 N 0.00 0.75 -1.32 2.23 3.38 -1.05 -0.94 115.31 118.36 2nnp h LEU 90 Ca -0.50 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 2nnp h LEU 90 Cb 2.14 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.69 2nnp h LEU 90 CO 0.03 0.56 -0.02 0.71 0.09 0.00 0.00 178.44 179.82 2nnp h THR 91 N 0.88 1.18 0.00 0.22 1.35 -1.58 -2.03 112.91 112.92 2nnp h THR 91 Ca 0.23 -0.72 -0.03 0.00 -0.55 0.00 0.00 66.41 65.34 2nnp h THR 91 Cb -0.06 0.99 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 2nnp h THR 91 CO -0.05 0.24 -0.14 1.56 -0.25 0.00 0.00 175.52 176.88 2nnp h GLN 92 N 0.42 0.00 -0.52 4.72 4.20 -1.38 -2.33 115.11 120.22 2nnp h GLN 92 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2nnp h GLN 92 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2nnp h GLN 92 CO 0.01 0.14 0.00 0.44 -0.67 0.00 0.00 178.83 178.75 2nnp n ILE 93 N -3.31 0.68 -2.56 2.54 -5.35 -1.02 -4.95 119.36 105.39 2nnp n ILE 93 Ca 0.00 -0.83 -0.09 0.00 -0.27 0.00 0.00 62.75 61.56 2nnp n ILE 93 Cb 0.38 0.78 0.01 0.00 -1.74 0.00 0.00 39.64 39.07 2nnp n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nnp n GLY 94 N 1.57 0.18 3.77 3.28 0.00 -0.88 -5.00 105.19 108.11 2nnp n GLY 94 Ca 0.21 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2nnp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnp s ALA 95 N -2.79 3.38 0.12 4.61 0.00 -0.79 -5.05 121.76 121.24 2nnp s ALA 95 Ca 0.12 0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.59 2nnp s ALA 95 Cb -0.05 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2nnp s ALA 95 CO 0.15 0.25 -0.10 0.95 0.00 0.00 0.00 175.76 177.02 2nnp s THR 96 N -1.22 1.04 -0.17 0.00 -4.23 -1.26 -4.77 115.64 105.03 2nnp s THR 96 Ca 0.39 -1.88 -0.11 0.00 -1.18 0.00 0.00 61.69 58.91 2nnp s THR 96 Cb -0.23 -1.65 -0.05 0.00 1.34 0.00 0.00 72.50 71.91 2nnp s THR 96 CO 0.28 -0.68 0.20 -0.76 -0.54 0.00 0.00 174.62 173.12 2nnp s LEU 97 N -2.87 4.25 -0.04 4.79 1.43 -1.26 -5.09 118.68 119.89 2nnp s LEU 97 Ca 0.12 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 2nnp s LEU 97 Cb 0.01 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 44.02 2nnp s LEU 97 CO -0.00 0.18 -0.12 0.20 0.23 0.00 0.00 176.35 176.84 2nnp s ASN 98 N 0.18 1.61 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.59 2nnp s ASN 98 Ca 0.13 -0.26 0.00 0.00 -1.57 0.00 0.00 52.86 51.16 2nnp s ASN 98 Cb -0.12 -0.56 0.00 0.00 -0.02 0.00 0.00 41.25 40.55 2nnp s ASN 98 CO 0.01 0.07 0.00 2.22 -2.57 0.00 0.00 177.10 176.83