#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r5p s GLN 2 N 0.00 0.80 -0.23 0.54 0.74 -1.26 -5.12 119.66 115.13 2r5p s GLN 2 Ca 0.00 -0.00 -0.06 0.00 0.05 0.00 0.00 55.36 55.35 2r5p s GLN 2 Cb 0.00 -1.03 -0.02 0.00 1.10 0.00 0.00 33.01 33.06 2r5p s GLN 2 CO 0.00 -0.24 0.01 0.42 -0.55 0.00 0.00 175.29 174.93 2r5p s ILE 3 N 1.65 3.85 0.66 -2.34 1.01 -1.26 -5.10 121.20 119.67 2r5p s ILE 3 Ca 0.01 -0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 2r5p s ILE 3 Cb -0.13 -2.78 0.02 0.00 0.01 0.00 0.00 42.46 39.59 2r5p s ILE 3 CO -0.04 0.39 1.00 0.42 0.00 0.00 0.00 174.94 176.71 2r5p s THR 4 N 1.49 3.27 -0.18 2.92 -4.23 -1.26 -5.01 115.64 112.64 2r5p s THR 4 Ca 0.06 0.12 0.16 0.00 -1.18 0.00 0.00 61.69 60.84 2r5p s THR 4 Cb -0.15 -3.36 0.48 0.00 1.34 0.00 0.00 72.50 70.81 2r5p s THR 4 CO 0.00 -0.42 1.37 0.18 -0.54 0.00 0.00 174.62 175.22 2r5p n LEU 5 N -2.83 3.61 0.31 4.79 4.77 -1.26 -4.58 117.00 121.82 2r5p n LEU 5 Ca 0.06 -3.14 0.19 0.00 -0.03 0.00 0.00 56.01 53.09 2r5p n LEU 5 Cb 0.58 -0.54 0.98 0.00 -2.33 0.00 0.00 43.42 42.11 2r5p n LEU 5 CO 0.55 0.76 1.10 -0.50 -1.33 0.00 0.00 177.39 177.96 2r5p h TRP 6 N 1.34 0.00 -4.47 -1.77 4.06 -2.06 -3.43 115.95 109.63 2r5p h TRP 6 Ca 0.03 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.67 2r5p h TRP 6 Cb 1.39 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.40 2r5p h TRP 6 CO 0.47 0.02 -0.59 -1.59 -3.56 0.00 0.00 178.44 173.19 2r5p s LYS 7 N -4.06 1.36 0.20 0.49 -2.85 -1.26 -5.12 119.74 108.50 2r5p s LYS 7 Ca -0.03 -1.74 -0.32 0.00 -1.00 0.00 0.00 55.97 52.88 2r5p s LYS 7 Cb 0.12 0.17 -0.13 0.00 -2.06 0.00 0.00 37.83 35.94 2r5p s LYS 7 CO 0.48 -0.43 1.65 0.54 0.10 0.00 0.00 175.35 177.69 2r5p n ARG 8 N -0.39 2.53 -1.79 1.78 1.74 -1.26 -4.85 116.66 114.42 2r5p n ARG 8 Ca 0.03 0.91 -0.41 0.00 -0.77 0.00 0.00 57.85 57.61 2r5p n ARG 8 Cb 0.65 -2.72 -0.02 0.00 -1.02 0.00 0.00 32.46 29.35 2r5p n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2r5p n PRO 9 N 3.50 2.38 -3.49 5.56 -0.04 -1.26 -4.93 135.00 136.73 2r5p n PRO 9 Ca 0.15 -2.51 -0.38 0.00 -0.04 0.00 0.00 63.50 60.72 2r5p n PRO 9 Cb 0.33 -3.29 -0.06 0.00 -0.04 0.00 0.00 33.50 30.44 2r5p n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2r5p s LEU 10 N 3.53 4.44 0.11 1.53 1.43 -1.26 -1.66 118.68 126.80 2r5p s LEU 10 Ca 0.54 0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 54.56 2r5p s LEU 10 Cb 0.10 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 2r5p s LEU 10 CO 0.03 0.28 -0.00 0.68 0.23 0.00 0.00 176.35 177.57 2r5p s VAL 11 N -0.79 0.35 0.18 -1.59 -7.23 -0.17 -4.96 120.40 106.19 2r5p s VAL 11 Ca 0.23 -1.90 -0.20 0.00 -1.81 0.00 0.00 61.98 58.30 2r5p s VAL 11 Cb -0.16 -1.84 -0.08 0.00 0.56 0.00 0.00 36.38 34.86 2r5p s VAL 11 CO 0.12 -0.69 0.69 -0.44 -0.31 0.00 0.00 175.10 174.47 2r5p s SER 12 N -3.03 7.10 0.07 4.85 0.01 -1.26 -0.68 113.70 120.76 2r5p s SER 12 Ca 0.17 1.40 0.01 0.00 1.31 0.00 0.00 55.95 58.84 2r5p s SER 12 Cb 0.07 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2r5p s SER 12 CO -0.02 0.11 -0.06 0.27 0.41 0.00 0.00 173.24 173.95 2r5p s ILE 13 N -1.38 0.52 -0.17 1.44 -4.36 0.15 -4.00 121.20 113.40 2r5p s ILE 13 Ca 0.39 -1.71 0.01 0.00 -0.26 0.00 0.00 60.65 59.08 2r5p s ILE 13 Cb -0.18 -1.39 0.02 0.00 1.25 0.00 0.00 42.46 42.15 2r5p s ILE 13 CO 0.21 -0.81 -0.20 -0.75 0.24 0.00 0.00 174.94 173.64 2r5p s LYS 14 N -3.37 3.02 -0.08 0.37 2.20 -0.51 -0.38 119.74 121.00 2r5p s LYS 14 Ca 0.06 -0.82 -0.16 0.00 -0.36 0.00 0.00 55.97 54.68 2r5p s LYS 14 Cb 0.03 -2.56 0.04 0.00 -1.51 0.00 0.00 37.83 33.83 2r5p s LYS 14 CO -0.05 -0.15 0.39 0.54 -0.36 0.00 0.00 175.35 175.73 2r5p s VAL 15 N 1.15 0.02 -1.67 4.02 0.11 0.01 -1.41 120.40 122.63 2r5p s VAL 15 Ca 0.01 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 2r5p s VAL 15 Cb -0.14 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 2r5p s VAL 15 CO -0.09 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.18 2r5p n GLY 16 N 1.98 -0.43 2.47 6.54 0.00 -1.26 -0.40 105.19 114.09 2r5p n GLY 16 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 2r5p n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r5p n GLY 17 N -0.96 0.56 3.35 -0.02 0.00 -1.26 -4.91 105.19 101.95 2r5p n GLY 17 Ca -0.23 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 2r5p n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r5p s GLN 18 N -1.68 1.31 -0.20 1.61 -0.21 0.46 -5.12 119.66 115.84 2r5p s GLN 18 Ca 0.00 -1.27 -0.16 0.00 0.02 0.00 0.00 55.36 53.95 2r5p s GLN 18 Cb 0.00 -1.71 -0.04 0.00 1.00 0.00 0.00 33.01 32.26 2r5p s GLN 18 CO 0.00 0.40 0.41 0.42 -2.12 0.00 0.00 175.29 174.40 2r5p s ILE 19 N -1.09 5.19 0.21 1.08 -1.09 -1.26 -0.81 121.20 123.43 2r5p s ILE 19 Ca 0.11 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.26 2r5p s ILE 19 Cb -0.10 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 2r5p s ILE 19 CO 0.05 0.25 0.09 -0.54 -1.23 0.00 0.00 174.94 173.56 2r5p s LYS 20 N 1.31 1.25 -0.14 2.79 1.02 0.49 -4.96 119.74 121.51 2r5p s LYS 20 Ca 0.19 -1.66 -0.06 0.00 0.02 0.00 0.00 55.97 54.47 2r5p s LYS 20 Cb -0.15 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 2r5p s LYS 20 CO 0.08 -0.30 0.06 -2.00 -0.92 0.00 0.00 175.35 172.28 2r5p s GLU 21 N -4.06 3.61 0.07 1.68 2.12 -1.26 0.32 118.70 121.17 2r5p s GLU 21 Ca 0.35 -0.31 -0.00 0.00 0.36 0.00 0.00 54.97 55.36 2r5p s GLU 21 Cb 0.07 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 2r5p s GLU 21 CO 0.10 0.50 -0.04 0.00 -0.54 0.00 0.00 175.26 175.28 2r5p s ALA 22 N -0.26 0.66 -0.22 6.30 0.00 0.14 -4.36 121.76 124.02 2r5p s ALA 22 Ca 0.08 -1.26 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 2r5p s ALA 22 Cb -0.12 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 2r5p s ALA 22 CO 0.01 -0.33 0.13 -1.17 0.00 0.00 0.00 175.76 174.40 2r5p s LEU 23 N -2.96 3.98 -0.53 0.00 2.96 0.43 -1.00 118.68 121.55 2r5p s LEU 23 Ca 0.09 0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 53.79 2r5p s LEU 23 Cb 0.07 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.74 2r5p s LEU 23 CO -0.08 0.09 1.18 -0.76 -1.32 0.00 0.00 176.35 175.46 2r5p s LEU 24 N 0.91 3.53 -0.35 -0.68 1.43 -0.66 -0.14 118.68 122.72 2r5p s LEU 24 Ca 0.06 0.28 0.04 0.00 -1.03 0.00 0.00 54.13 53.48 2r5p s LEU 24 Cb -0.13 -3.34 0.10 0.00 0.03 0.00 0.00 46.19 42.85 2r5p s LEU 24 CO 0.03 -1.39 0.06 -0.62 0.23 0.00 0.00 176.35 174.66 2r5p s ASP 25 N 2.81 4.74 0.57 2.29 -1.08 -0.11 -4.82 116.67 121.08 2r5p s ASP 25 Ca 0.46 -2.21 0.36 0.00 -0.52 0.00 0.00 52.55 50.64 2r5p s ASP 25 Cb -0.07 -1.63 1.63 0.00 -1.46 0.00 0.00 42.92 41.39 2r5p s ASP 25 CO 0.28 -0.37 2.09 0.71 0.52 0.00 0.00 175.17 178.40 2r5p h THR 26 N 6.54 0.08 -0.01 1.71 1.35 -1.93 -2.14 112.91 118.51 2r5p h THR 26 Ca -0.04 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2r5p h THR 26 Cb 1.01 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2r5p h THR 26 CO 0.53 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 2r5p n GLY 27 N -0.32 -0.47 3.57 5.82 0.00 -1.26 -4.78 105.19 107.75 2r5p n GLY 27 Ca -0.01 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 2r5p n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r5p s ALA 28 N -2.00 3.38 0.14 4.61 0.00 -0.80 -4.98 121.76 122.11 2r5p s ALA 28 Ca 0.42 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 51.32 2r5p s ALA 28 Cb 0.21 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 2r5p s ALA 28 CO 0.35 -0.21 1.54 -0.44 0.00 0.00 0.00 175.76 177.00 2r5p h ASP 29 N 7.58 0.88 -0.68 0.00 3.32 -1.86 -0.17 116.42 125.48 2r5p h ASP 29 Ca -0.37 -0.38 -0.64 0.00 0.02 0.00 0.00 57.03 55.66 2r5p h ASP 29 Cb 1.17 -0.24 -0.11 0.00 0.22 0.00 0.00 39.33 40.37 2r5p h ASP 29 CO 0.63 1.06 -0.48 -1.81 -1.72 0.00 0.00 179.24 176.92 2r5p s ASP 30 N -6.52 4.23 -0.25 6.45 1.01 -1.26 -3.07 116.67 117.26 2r5p s ASP 30 Ca -0.12 -1.48 -0.06 0.00 0.71 0.00 0.00 52.55 51.60 2r5p s ASP 30 Cb 0.11 0.29 -0.01 0.00 1.01 0.00 0.00 42.92 44.32 2r5p s ASP 30 CO 0.84 -0.82 0.02 -0.89 0.21 0.00 0.00 175.17 174.53 2r5p s THR 31 N -2.81 3.78 -0.05 -1.27 2.01 -1.26 -2.90 115.64 113.14 2r5p s THR 31 Ca 0.18 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.75 2r5p s THR 31 Cb 0.02 -2.81 -0.00 0.00 0.01 0.00 0.00 72.50 69.72 2r5p s THR 31 CO 0.10 0.29 -0.18 0.54 -0.69 0.00 0.00 174.62 174.69 2r5p s VAL 32 N 1.52 1.51 0.11 3.82 0.11 -0.66 -0.48 120.40 126.33 2r5p s VAL 32 Ca 0.05 -0.76 0.08 0.00 -2.93 0.00 0.00 61.98 58.42 2r5p s VAL 32 Cb -0.15 -1.30 -0.04 0.00 -1.53 0.00 0.00 36.38 33.36 2r5p s VAL 32 CO 0.00 0.43 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.38 2r5p s ILE 33 N 0.03 1.67 1.03 7.04 1.01 0.12 -0.62 121.20 131.48 2r5p s ILE 33 Ca -0.04 -1.58 -0.13 0.00 0.00 0.00 0.00 60.65 58.90 2r5p s ILE 33 Cb -0.12 -1.56 0.15 0.00 0.01 0.00 0.00 42.46 40.94 2r5p s ILE 33 CO 0.03 -0.12 0.77 -0.62 0.00 0.00 0.00 174.94 174.99 2r5p n GLU 34 N 0.97 -1.13 -1.65 2.79 1.02 -1.26 -1.58 120.64 119.81 2r5p n GLU 34 Ca -0.19 -0.29 -0.59 0.00 -0.02 0.00 0.00 57.16 56.07 2r5p n GLU 34 Cb 0.54 -2.10 -0.08 0.00 -0.02 0.00 0.00 31.44 29.78 2r5p n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2r5p n GLU 35 N -3.53 0.57 -3.43 3.49 4.07 -1.25 -4.59 120.64 115.97 2r5p n GLU 35 Ca 0.07 0.21 -0.12 0.00 -0.06 0.00 0.00 57.16 57.25 2r5p n GLU 35 Cb 0.54 -1.79 -0.02 0.00 -0.06 0.00 0.00 31.44 30.11 2r5p n GLU 35 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 2r5p s ILE 36 N 1.89 0.00 -0.28 6.31 2.07 -1.26 -5.05 121.20 124.87 2r5p s ILE 36 Ca 0.95 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 60.01 2r5p s ILE 36 Cb -1.21 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 40.36 2r5p s ILE 36 CO 0.64 0.00 0.55 0.00 -1.91 0.00 0.00 174.94 174.22 2r5p s ALA 37 N -3.58 3.56 0.10 1.50 0.00 -1.26 -5.05 121.76 117.02 2r5p s ALA 37 Ca 0.00 -0.66 0.10 0.00 0.00 0.00 0.00 51.96 51.41 2r5p s ALA 37 Cb -0.01 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 2r5p s ALA 37 CO -0.12 -0.88 -0.26 -0.51 0.00 0.00 0.00 175.76 174.00 2r5p s LEU 38 N 2.40 2.33 0.55 0.00 1.43 -1.26 -4.72 118.68 119.41 2r5p s LEU 38 Ca 0.22 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.51 2r5p s LEU 38 Cb -0.15 -1.29 -0.07 0.00 0.03 0.00 0.00 46.19 44.71 2r5p s LEU 38 CO 0.10 0.21 1.00 -2.16 0.23 0.00 0.00 176.35 175.73 2r5p s PRO 39 N -1.78 3.83 0.17 1.29 0.04 -1.26 -4.96 135.00 132.32 2r5p s PRO 39 Ca 0.14 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2r5p s PRO 39 Cb -0.10 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2r5p s PRO 39 CO 0.05 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.12 2r5p n GLY 40 N -1.98 -2.85 3.91 0.56 0.00 -1.26 -4.92 105.19 98.66 2r5p n GLY 40 Ca 0.06 -1.84 -0.27 0.00 0.00 0.00 0.00 46.02 43.97 2r5p n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r5p s ARG 41 N -0.60 3.59 0.21 1.61 0.52 -1.26 -5.11 118.95 117.91 2r5p s ARG 41 Ca 0.00 -0.07 0.05 0.00 -0.52 0.00 0.00 55.73 55.19 2r5p s ARG 41 Cb 0.00 -2.64 -0.05 0.00 0.52 0.00 0.00 34.95 32.78 2r5p s ARG 41 CO 0.00 0.17 -0.06 1.67 0.02 0.00 0.00 175.30 177.10 2r5p s TRP 42 N -2.18 1.57 0.19 -0.53 1.48 -1.26 -4.59 118.94 113.63 2r5p s TRP 42 Ca 0.43 -0.79 0.11 0.00 -1.06 0.00 0.00 56.10 54.79 2r5p s TRP 42 Cb -0.10 -0.86 -0.04 0.00 -1.16 0.00 0.00 33.47 31.30 2r5p s TRP 42 CO 0.32 0.11 -0.22 0.15 -4.06 0.00 0.00 176.95 173.25 2r5p s LYS 43 N -3.78 1.46 0.53 3.25 1.02 -0.80 -4.89 119.74 116.53 2r5p s LYS 43 Ca 0.25 -1.51 -0.15 0.00 0.02 0.00 0.00 55.97 54.58 2r5p s LYS 43 Cb 0.04 -1.68 -0.07 0.00 -0.52 0.00 0.00 37.83 35.59 2r5p s LYS 43 CO 0.07 0.35 0.99 -1.25 -0.92 0.00 0.00 175.35 174.59 2r5p s PRO 44 N -2.77 3.87 -0.11 -1.68 0.04 -1.26 -0.21 135.00 132.87 2r5p s PRO 44 Ca 0.20 0.90 -0.28 0.00 0.04 0.00 0.00 61.00 61.86 2r5p s PRO 44 Cb -0.07 -2.13 0.07 0.00 0.04 0.00 0.00 34.50 32.41 2r5p s PRO 44 CO 0.09 -0.33 0.66 0.21 0.04 0.00 0.00 177.00 177.67 2r5p s LYS 45 N -4.31 0.95 -0.19 4.56 2.20 -0.87 -4.82 119.74 117.26 2r5p s LYS 45 Ca 0.58 0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 56.60 2r5p s LYS 45 Cb -0.10 0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 36.65 2r5p s LYS 45 CO 0.36 -0.25 -0.02 -1.64 -0.36 0.00 0.00 175.35 173.44 2r5p s MET 46 N -0.71 3.56 -0.05 4.03 -1.94 -1.26 -1.26 119.30 121.68 2r5p s MET 46 Ca -0.08 -0.55 0.06 0.00 -1.71 0.00 0.00 55.69 53.41 2r5p s MET 46 Cb -0.02 -3.00 -0.01 0.00 2.01 0.00 0.00 34.83 33.81 2r5p s MET 46 CO 0.07 0.03 -0.24 0.96 -0.01 0.00 0.00 175.02 175.83 2r5p s ILE 47 N 0.93 1.94 0.03 2.53 -4.36 -0.98 -4.97 121.20 116.32 2r5p s ILE 47 Ca 0.00 -1.01 0.09 0.00 -0.26 0.00 0.00 60.65 59.47 2r5p s ILE 47 Cb -0.14 -1.64 -0.03 0.00 1.25 0.00 0.00 42.46 41.90 2r5p s ILE 47 CO 0.01 0.54 -0.25 -0.83 0.24 0.00 0.00 174.94 174.65 2r5p s GLY 48 N -0.21 1.33 0.00 6.27 0.00 -1.26 -1.63 107.32 111.82 2r5p s GLY 48 Ca -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.50 2r5p s GLY 48 CO 0.03 -1.08 0.00 0.61 0.00 0.00 0.00 173.10 172.65 2r5p n GLY 49 N 1.90 5.05 3.76 0.20 0.00 -0.57 -4.98 105.19 110.54 2r5p n GLY 49 Ca -0.17 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 2r5p n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r5p s ILE 50 N 0.55 2.93 0.00 -0.61 1.09 -1.26 -2.53 121.20 121.37 2r5p s ILE 50 Ca 0.00 0.87 0.00 0.00 -1.10 0.00 0.00 60.65 60.42 2r5p s ILE 50 Cb 0.00 -3.55 0.00 0.00 -1.06 0.00 0.00 42.46 37.85 2r5p s ILE 50 CO 0.00 0.18 0.00 0.61 -0.10 0.00 0.00 174.94 175.63 2r5p n GLY 51 N 1.41 1.06 0.00 6.18 0.00 -1.26 -4.93 105.19 107.64 2r5p n GLY 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2r5p n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r5p n GLY 52 N -2.00 -0.44 3.78 -0.02 0.00 -1.05 -5.06 105.19 100.40 2r5p n GLY 52 Ca 0.00 -2.17 -0.24 0.00 0.00 0.00 0.00 46.02 43.61 2r5p n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r5p s PHE 53 N 0.00 3.06 0.07 1.61 0.40 -1.26 -1.52 117.98 120.34 2r5p s PHE 53 Ca 0.00 -0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.28 2r5p s PHE 53 Cb 0.00 -1.42 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 2r5p s PHE 53 CO 0.00 0.53 -0.11 0.96 0.70 0.00 0.00 175.22 177.30 2r5p s ILE 54 N -1.96 0.89 -0.14 0.64 -4.36 -0.65 -4.98 121.20 110.64 2r5p s ILE 54 Ca 0.31 -1.34 -0.18 0.00 -0.26 0.00 0.00 60.65 59.18 2r5p s ILE 54 Cb -0.09 -1.02 -0.04 0.00 1.25 0.00 0.00 42.46 42.56 2r5p s ILE 54 CO 0.23 -0.38 0.48 -0.54 0.24 0.00 0.00 174.94 174.97 2r5p s LYS 55 N -2.02 4.29 0.22 0.37 1.02 -1.26 -2.32 119.74 120.04 2r5p s LYS 55 Ca -0.02 0.42 0.03 0.00 0.02 0.00 0.00 55.97 56.42 2r5p s LYS 55 Cb -0.08 -3.47 -0.05 0.00 -0.52 0.00 0.00 37.83 33.71 2r5p s LYS 55 CO 0.01 0.07 -0.00 0.14 -0.92 0.00 0.00 175.35 174.65 2r5p s VAL 56 N 0.91 0.98 -0.18 3.17 -7.23 -0.39 -4.55 120.40 113.11 2r5p s VAL 56 Ca 0.25 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.30 2r5p s VAL 56 Cb -0.15 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 2r5p s VAL 56 CO 0.10 -0.33 0.12 -0.13 -0.31 0.00 0.00 175.10 174.55 2r5p s ARG 57 N -3.87 4.01 -0.34 4.82 0.52 0.80 -2.05 118.95 122.83 2r5p s ARG 57 Ca 0.28 -0.22 -0.12 0.00 -0.52 0.00 0.00 55.73 55.16 2r5p s ARG 57 Cb 0.06 -3.34 -0.00 0.00 0.52 0.00 0.00 34.95 32.18 2r5p s ARG 57 CO 0.08 0.39 0.21 -1.14 0.02 0.00 0.00 175.30 174.87 2r5p s GLN 58 N 0.08 3.26 -0.07 3.54 0.74 0.70 -0.52 119.66 127.40 2r5p s GLN 58 Ca 0.09 -0.79 -0.01 0.00 0.05 0.00 0.00 55.36 54.70 2r5p s GLN 58 Cb -0.11 -3.73 -0.03 0.00 1.10 0.00 0.00 33.01 30.24 2r5p s GLN 58 CO -0.01 -0.51 0.01 0.71 -0.55 0.00 0.00 175.29 174.94 2r5p s TYR 59 N 1.65 3.17 0.27 1.67 1.51 -0.55 -1.91 117.35 123.17 2r5p s TYR 59 Ca 0.05 0.19 0.08 0.00 -1.01 0.00 0.00 57.07 56.38 2r5p s TYR 59 Cb -0.18 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 2r5p s TYR 59 CO 0.08 0.48 0.09 -0.51 -1.11 0.00 0.00 175.55 174.59 2r5p s ASP 60 N -1.07 4.92 -1.42 2.29 1.01 -1.26 -1.01 116.67 120.12 2r5p s ASP 60 Ca 0.15 -0.52 -0.05 0.00 0.71 0.00 0.00 52.55 52.84 2r5p s ASP 60 Cb -0.11 -1.02 0.03 0.00 1.01 0.00 0.00 42.92 42.83 2r5p s ASP 60 CO 0.05 -0.06 0.67 1.67 0.21 0.00 0.00 175.17 177.70 2r5p n GLN 61 N -1.04 -4.34 -3.41 8.23 7.27 -1.11 -4.90 117.38 118.08 2r5p n GLN 61 Ca -0.06 0.52 -0.38 0.00 0.07 0.00 0.00 57.00 57.15 2r5p n GLN 61 Cb 0.59 -5.02 -0.06 0.00 2.41 0.00 0.00 30.24 28.16 2r5p n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2r5p s ILE 62 N -3.66 5.06 0.16 1.69 -1.09 0.63 -4.67 121.20 119.32 2r5p s ILE 62 Ca 0.21 0.91 -0.28 0.00 -2.23 0.00 0.00 60.65 59.26 2r5p s ILE 62 Cb -0.11 -3.77 -0.07 0.00 -1.58 0.00 0.00 42.46 36.93 2r5p s ILE 62 CO 0.85 0.48 0.86 -0.63 -1.23 0.00 0.00 174.94 175.27 2r5p s ILE 63 N -0.40 4.36 -0.11 2.92 1.01 -1.26 -1.19 121.20 126.52 2r5p s ILE 63 Ca 0.25 1.88 -0.07 0.00 0.00 0.00 0.00 60.65 62.71 2r5p s ILE 63 Cb -0.16 -4.23 0.04 0.00 0.01 0.00 0.00 42.46 38.12 2r5p s ILE 63 CO 0.13 0.45 0.27 -0.51 0.00 0.00 0.00 174.94 175.27 2r5p s ILE 64 N -0.77 -0.03 -0.20 2.92 2.07 0.82 -4.57 121.20 121.45 2r5p s ILE 64 Ca 0.40 0.10 -0.09 0.00 -1.41 0.00 0.00 60.65 59.65 2r5p s ILE 64 Cb -0.24 -0.40 -0.05 0.00 0.13 0.00 0.00 42.46 41.91 2r5p s ILE 64 CO 0.28 0.04 0.10 -1.61 -1.91 0.00 0.00 174.94 171.84 2r5p s GLU 65 N 0.98 4.08 -0.03 3.50 2.02 -0.50 -0.20 118.70 128.53 2r5p s GLU 65 Ca -0.07 -0.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.63 2r5p s GLU 65 Cb -0.08 -3.34 0.03 0.00 0.10 0.00 0.00 34.13 30.84 2r5p s GLU 65 CO -0.07 0.26 0.04 0.42 0.02 0.00 0.00 175.26 175.94 2r5p s ILE 66 N 0.43 -0.05 -1.42 -1.63 1.01 0.11 -1.42 121.20 118.23 2r5p s ILE 66 Ca 0.06 0.33 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 2r5p s ILE 66 Cb -0.12 -0.15 0.00 0.00 0.01 0.00 0.00 42.46 42.20 2r5p s ILE 66 CO -0.01 0.15 0.40 0.00 0.00 0.00 0.00 174.94 175.48 2r5p n GLY 68 N -2.01 0.70 3.34 0.00 0.00 -1.26 -5.00 105.19 100.96 2r5p n GLY 68 Ca -0.30 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 2r5p n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r5p s LYS 69 N -1.96 1.30 -0.11 1.61 1.02 0.67 -5.13 119.74 117.13 2r5p s LYS 69 Ca 0.00 -1.25 -0.05 0.00 0.02 0.00 0.00 55.97 54.68 2r5p s LYS 69 Cb 0.00 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.59 2r5p s LYS 69 CO 0.00 0.40 0.09 0.15 -0.92 0.00 0.00 175.35 175.07 2r5p s LYS 70 N -1.95 3.31 0.02 1.68 1.02 -1.26 0.08 119.74 122.64 2r5p s LYS 70 Ca 0.11 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 55.89 2r5p s LYS 70 Cb -0.10 -3.06 -0.02 0.00 -0.52 0.00 0.00 37.83 34.14 2r5p s LYS 70 CO 0.05 0.73 -0.09 0.00 -0.92 0.00 0.00 175.35 175.11 2r5p s ALA 71 N -0.90 0.76 -0.13 5.17 0.00 0.71 -4.95 121.76 122.43 2r5p s ALA 71 Ca 0.14 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 2r5p s ALA 71 Cb -0.12 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.93 2r5p s ALA 71 CO 0.03 0.12 -0.05 0.42 0.00 0.00 0.00 175.76 176.28 2r5p s ILE 72 N -0.74 0.94 0.00 0.00 1.01 -1.26 -0.12 121.20 121.03 2r5p s ILE 72 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2r5p s ILE 72 Cb -0.06 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.34 2r5p s ILE 72 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.79 2r5p n GLY 73 N 4.95 1.30 3.72 6.18 0.00 -0.33 -4.81 105.19 116.19 2r5p n GLY 73 Ca -0.11 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 2r5p n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r5p s THR 74 N -2.36 3.79 -0.06 2.61 2.01 -1.26 -0.27 115.64 120.10 2r5p s THR 74 Ca 0.00 1.34 0.02 0.00 0.31 0.00 0.00 61.69 63.36 2r5p s THR 74 Cb 0.00 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.67 2r5p s THR 74 CO 0.00 0.14 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.28 2r5p s VAL 75 N 0.75 0.99 -0.06 3.82 1.01 -0.18 -4.57 120.40 122.16 2r5p s VAL 75 Ca 0.58 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 2r5p s VAL 75 Cb -0.31 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2r5p s VAL 75 CO 0.31 0.33 0.16 -0.76 0.00 0.00 0.00 175.10 175.14 2r5p s LEU 76 N 0.82 4.35 -0.06 3.92 1.43 0.37 -1.48 118.68 128.03 2r5p s LEU 76 Ca -0.12 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 2r5p s LEU 76 Cb -0.15 -2.36 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 2r5p s LEU 76 CO 0.02 0.33 -0.20 -0.69 0.23 0.00 0.00 176.35 176.04 2r5p s VAL 77 N -1.19 1.70 -1.30 -1.59 1.01 0.32 0.14 120.40 119.49 2r5p s VAL 77 Ca 0.22 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2r5p s VAL 77 Cb -0.12 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.79 2r5p s VAL 77 CO 0.12 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2r5p n GLY 78 N 3.27 -1.36 2.83 4.51 0.00 -0.61 -0.14 105.19 113.69 2r5p n GLY 78 Ca -0.19 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 2r5p n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2r5p n PRO 79 N -0.07 2.37 -3.66 1.61 -0.04 -1.26 -3.82 135.00 130.13 2r5p n PRO 79 Ca 0.00 -2.24 -0.37 0.00 -0.04 0.00 0.00 63.50 60.85 2r5p n PRO 79 Cb 0.00 -3.08 -0.07 0.00 -0.04 0.00 0.00 33.50 30.31 2r5p n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2r5p s THR 80 N 3.80 5.32 0.37 0.52 -1.32 -1.26 -4.99 115.64 118.08 2r5p s THR 80 Ca 0.52 0.46 0.13 0.00 -1.21 0.00 0.00 61.69 61.59 2r5p s THR 80 Cb 0.14 -3.56 0.35 0.00 -1.51 0.00 0.00 72.50 67.92 2r5p s THR 80 CO -0.01 0.51 1.82 -0.65 -2.21 0.00 0.00 174.62 174.07 2r5p h PRO 81 N 5.73 0.55 -4.01 7.08 0.11 -1.98 -3.43 132.00 136.04 2r5p h PRO 81 Ca -0.48 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 2r5p h PRO 81 Cb 1.19 -0.12 -0.17 0.00 0.11 0.00 0.00 31.00 32.01 2r5p h PRO 81 CO 0.67 0.37 -0.62 0.14 -0.21 0.00 0.00 178.00 178.35 2r5p s VAL 82 N -5.62 0.16 0.11 3.15 -7.23 -1.26 -5.10 120.40 104.61 2r5p s VAL 82 Ca -0.10 -1.33 -0.30 0.00 -1.81 0.00 0.00 61.98 58.44 2r5p s VAL 82 Cb 0.24 -1.00 -0.07 0.00 0.56 0.00 0.00 36.38 36.11 2r5p s VAL 82 CO 0.79 -0.73 1.23 0.20 -0.31 0.00 0.00 175.10 176.28 2r5p s ASN 83 N -2.30 7.04 -0.13 4.85 0.01 -1.26 -4.82 114.94 118.33 2r5p s ASN 83 Ca -0.03 2.14 0.02 0.00 -0.71 0.00 0.00 52.86 54.28 2r5p s ASN 83 Cb 0.00 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.09 2r5p s ASN 83 CO -0.06 -0.46 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.26 2r5p s ILE 84 N 0.68 1.73 -0.42 0.60 1.01 0.21 -0.43 121.20 124.58 2r5p s ILE 84 Ca 0.58 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 60.28 2r5p s ILE 84 Cb -0.32 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.60 2r5p s ILE 84 CO 0.32 0.49 0.49 -0.63 0.00 0.00 0.00 174.94 175.60 2r5p s ILE 85 N 1.06 5.02 0.68 2.92 -1.09 0.80 -1.65 121.20 128.95 2r5p s ILE 85 Ca -0.03 -0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.23 2r5p s ILE 85 Cb -0.14 -4.06 0.13 0.00 -1.58 0.00 0.00 42.46 36.80 2r5p s ILE 85 CO -0.04 -0.44 0.94 0.61 -1.23 0.00 0.00 174.94 174.78 2r5p n GLY 86 N 5.06 0.92 0.37 6.18 0.00 -1.14 -0.93 105.19 115.65 2r5p n GLY 86 Ca -0.06 -2.07 0.15 0.00 0.00 0.00 0.00 46.02 44.05 2r5p n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2r5p h ARG 87 N 0.00 0.31 -0.35 1.61 3.08 -1.05 -0.07 114.38 117.91 2r5p h ARG 87 Ca -0.31 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 59.75 2r5p h ARG 87 Cb 1.20 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 2r5p h ARG 87 CO 0.35 0.21 0.24 -2.95 -1.07 0.00 0.00 179.97 176.75 2r5p h ASN 88 N 0.32 0.30 0.12 7.04 -1.07 -1.81 -0.73 115.58 119.75 2r5p h ASN 88 Ca 0.32 -0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.32 2r5p h ASN 88 Cb 0.80 -0.07 -0.04 0.00 -2.07 0.00 0.00 38.32 36.94 2r5p h ASN 88 CO -0.08 0.20 -2.14 0.23 0.07 0.00 0.00 177.43 175.71 2r5p n MET 89 N -4.49 0.71 -0.25 4.14 2.81 -0.49 -4.07 117.12 115.49 2r5p n MET 89 Ca 0.03 0.21 0.03 0.00 -1.81 0.00 0.00 57.70 56.17 2r5p n MET 89 Cb 0.17 -1.65 0.27 0.00 -0.71 0.00 0.00 33.22 31.30 2r5p n MET 89 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2r5p h LEU 90 N 0.04 0.84 -0.71 4.03 3.38 -0.79 -1.44 115.31 120.66 2r5p h LEU 90 Ca -0.46 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 2r5p h LEU 90 Cb 2.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 2r5p h LEU 90 CO 0.03 0.57 -0.03 0.71 0.09 0.00 0.00 178.44 179.80 2r5p h THR 91 N 0.97 1.26 -0.16 0.22 1.35 -1.32 -1.82 112.91 113.41 2r5p h THR 91 Ca 0.33 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2r5p h THR 91 Cb 0.09 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 2r5p h THR 91 CO -0.10 0.41 0.11 1.56 -0.25 0.00 0.00 175.52 177.24 2r5p h GLN 92 N 0.87 0.22 -0.00 4.72 4.20 -1.42 0.11 115.11 123.80 2r5p h GLN 92 Ca 0.15 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2r5p h GLN 92 Cb 0.56 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2r5p h GLN 92 CO 0.03 0.15 -0.01 1.28 -0.67 0.00 0.00 178.83 179.60 2r5p n LEU 93 N -4.51 0.08 -0.91 1.46 4.77 -0.84 -4.89 117.00 112.15 2r5p n LEU 93 Ca -0.01 0.16 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 2r5p n LEU 93 Cb 0.08 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2r5p n LEU 93 CO 0.35 0.01 -0.10 0.61 -1.33 0.00 0.00 177.39 176.93 2r5p n GLY 94 N 1.20 0.12 3.75 -0.72 0.00 0.37 -5.00 105.19 104.90 2r5p n GLY 94 Ca 0.17 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 2r5p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r5p s THR 96 N -0.84 0.17 -0.05 0.00 -4.23 -1.26 -4.72 115.64 104.70 2r5p s THR 96 Ca 0.44 -1.39 -0.13 0.00 -1.18 0.00 0.00 61.69 59.43 2r5p s THR 96 Cb -0.27 -1.12 -0.05 0.00 1.34 0.00 0.00 72.50 72.40 2r5p s THR 96 CO 0.33 -0.77 0.33 -0.76 -0.54 0.00 0.00 174.62 173.21 2r5p s LEU 97 N -2.45 4.42 -0.03 4.79 1.43 -1.26 -5.09 118.68 120.49 2r5p s LEU 97 Ca -0.00 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 53.89 2r5p s LEU 97 Cb 0.02 -2.43 0.01 0.00 0.03 0.00 0.00 46.19 43.82 2r5p s LEU 97 CO -0.07 0.32 -0.06 0.20 0.23 0.00 0.00 176.35 176.97 2r5p s ASN 98 N -0.86 0.91 0.00 2.29 0.01 -1.26 -5.30 114.94 110.73 2r5p s ASN 98 Ca 0.21 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 2r5p s ASN 98 Cb -0.15 -0.31 0.00 0.00 0.41 0.00 0.00 41.25 41.20 2r5p s ASN 98 CO 0.10 0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.92