#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1t s GLN 2 N 0.00 3.02 -0.21 -0.52 0.74 -1.26 -5.11 119.66 116.32 1k1t s GLN 2 Ca 0.00 -0.86 -0.01 0.00 0.05 0.00 0.00 55.36 54.54 1k1t s GLN 2 Cb 0.00 -2.34 0.01 0.00 1.10 0.00 0.00 33.01 31.78 1k1t s GLN 2 CO 0.00 0.10 -0.12 0.42 -0.55 0.00 0.00 175.29 175.13 1k1t s ILE 3 N 0.54 2.60 0.83 -2.34 1.01 -1.26 -5.12 121.20 117.46 1k1t s ILE 3 Ca -0.14 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 59.54 1k1t s ILE 3 Cb -0.17 -2.18 0.10 0.00 0.01 0.00 0.00 42.46 40.22 1k1t s ILE 3 CO 0.04 0.42 1.19 0.42 0.00 0.00 0.00 174.94 177.02 1k1t s THR 4 N 1.35 2.03 -0.11 2.92 -4.23 -1.26 -5.02 115.64 111.31 1k1t s THR 4 Ca 0.04 -0.03 0.16 0.00 -1.18 0.00 0.00 61.69 60.68 1k1t s THR 4 Cb -0.14 -2.99 0.25 0.00 1.34 0.00 0.00 72.50 70.95 1k1t s THR 4 CO -0.08 0.00 1.13 0.18 -0.54 0.00 0.00 174.62 175.31 1k1t n LEU 5 N -3.37 2.22 -0.07 4.79 4.77 -1.26 -4.61 117.00 119.46 1k1t n LEU 5 Ca 0.10 -2.90 0.06 0.00 -0.03 0.00 0.00 56.01 53.24 1k1t n LEU 5 Cb 0.61 -0.37 0.41 0.00 -2.33 0.00 0.00 43.42 41.74 1k1t n LEU 5 CO 0.54 0.67 1.19 -0.50 -1.33 0.00 0.00 177.39 177.96 1k1t h TRP 6 N 0.00 0.59 -2.84 -1.77 4.06 -2.06 -3.43 115.95 110.49 1k1t h TRP 6 Ca 0.00 0.01 -0.48 0.00 2.06 0.00 0.00 58.89 60.48 1k1t h TRP 6 Cb 0.97 -0.20 -0.14 0.00 -1.00 0.00 0.00 29.16 28.80 1k1t h TRP 6 CO 0.00 0.34 -0.59 -1.59 -3.56 0.00 0.00 178.44 173.04 1k1t s LYS 7 N -5.54 1.70 0.20 0.49 -2.85 -1.26 -5.11 119.74 107.37 1k1t s LYS 7 Ca -0.09 -1.96 -0.33 0.00 -1.00 0.00 0.00 55.97 52.60 1k1t s LYS 7 Cb 0.18 -0.78 -0.13 0.00 -2.06 0.00 0.00 37.83 35.04 1k1t s LYS 7 CO 0.75 -0.26 1.53 0.54 0.10 0.00 0.00 175.35 178.01 1k1t n ARG 8 N -0.72 2.18 -2.47 1.78 1.74 -1.26 -4.86 116.66 113.05 1k1t n ARG 8 Ca -0.03 0.78 -0.40 0.00 -0.77 0.00 0.00 57.85 57.44 1k1t n ARG 8 Cb 0.66 -2.52 -0.02 0.00 -1.02 0.00 0.00 32.46 29.57 1k1t n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1k1t s PRO 9 N 0.38 3.64 -0.05 5.56 0.04 -1.26 -4.95 135.00 138.36 1k1t s PRO 9 Ca 0.74 -1.70 -0.15 0.00 0.04 0.00 0.00 61.00 59.93 1k1t s PRO 9 Cb -0.65 -5.45 -0.05 0.00 0.04 0.00 0.00 34.50 28.39 1k1t s PRO 9 CO 0.42 -2.58 0.39 -0.51 0.04 0.00 0.00 177.00 174.75 1k1t s LEU 10 N 5.66 4.41 0.16 -3.56 1.43 -1.26 -1.37 118.68 124.16 1k1t s LEU 10 Ca 0.56 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 1k1t s LEU 10 Cb 0.02 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 1k1t s LEU 10 CO 0.06 0.25 0.01 0.68 0.23 0.00 0.00 176.35 177.58 1k1t s VAL 11 N -0.61 0.59 0.08 -1.59 -7.23 0.05 -4.92 120.40 106.77 1k1t s VAL 11 Ca 0.23 -1.97 -0.26 0.00 -1.81 0.00 0.00 61.98 58.17 1k1t s VAL 11 Cb -0.16 -2.09 -0.06 0.00 0.56 0.00 0.00 36.38 34.64 1k1t s VAL 11 CO 0.11 -0.49 0.81 -0.89 -0.31 0.00 0.00 175.10 174.33 1k1t s THR 12 N -3.71 4.63 0.21 5.32 2.01 -1.26 -0.54 115.64 122.30 1k1t s THR 12 Ca 0.23 1.74 0.10 0.00 0.31 0.00 0.00 61.69 64.07 1k1t s THR 12 Cb 0.06 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1k1t s THR 12 CO 0.03 0.38 -0.18 0.27 -0.69 0.00 0.00 174.62 174.42 1k1t s ILE 13 N -0.20 2.04 -0.13 1.82 -4.36 0.81 -0.85 121.20 120.33 1k1t s ILE 13 Ca 0.40 -2.16 0.02 0.00 -0.26 0.00 0.00 60.65 58.65 1k1t s ILE 13 Cb -0.21 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.45 1k1t s ILE 13 CO 0.25 -0.40 -0.17 -0.75 0.24 0.00 0.00 174.94 174.11 1k1t s LYS 14 N -3.23 2.53 -0.15 0.37 2.20 -0.11 -1.00 119.74 120.34 1k1t s LYS 14 Ca 0.22 -0.67 -0.12 0.00 -0.36 0.00 0.00 55.97 55.04 1k1t s LYS 14 Cb -0.04 -2.14 0.04 0.00 -1.51 0.00 0.00 37.83 34.17 1k1t s LYS 14 CO 0.09 -0.10 0.39 -1.50 -0.36 0.00 0.00 175.35 173.87 1k1t s ILE 15 N 1.07 -0.01 -1.89 5.43 2.07 -0.45 -1.43 121.20 125.98 1k1t s ILE 15 Ca -0.03 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 1k1t s ILE 15 Cb -0.14 -0.55 0.00 0.00 0.13 0.00 0.00 42.46 41.90 1k1t s ILE 15 CO -0.05 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 1k1t n GLY 16 N 3.20 0.50 2.18 1.50 0.00 -1.26 -0.89 105.19 110.42 1k1t n GLY 16 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 1k1t n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1t n GLY 17 N -0.74 0.50 3.29 -0.02 0.00 -1.26 -5.04 105.19 101.91 1k1t n GLY 17 Ca -0.22 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 1k1t n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k1t s GLN 18 N -1.04 1.48 -0.02 1.61 -0.21 -0.06 -5.13 119.66 116.28 1k1t s GLN 18 Ca 0.00 -1.03 -0.17 0.00 0.02 0.00 0.00 55.36 54.18 1k1t s GLN 18 Cb 0.00 -1.64 -0.05 0.00 1.00 0.00 0.00 33.01 32.31 1k1t s GLN 18 CO 0.00 0.42 0.46 -0.51 -2.12 0.00 0.00 175.29 173.54 1k1t s LEU 19 N -1.31 4.42 0.11 2.90 1.43 -1.26 -1.34 118.68 123.63 1k1t s LEU 19 Ca 0.09 0.98 -0.02 0.00 -1.03 0.00 0.00 54.13 54.15 1k1t s LEU 19 Cb -0.09 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1k1t s LEU 19 CO 0.02 0.21 0.05 -0.54 0.23 0.00 0.00 176.35 176.32 1k1t s LYS 20 N -0.52 0.86 -0.12 1.70 1.02 -0.17 -4.98 119.74 117.52 1k1t s LYS 20 Ca 0.26 -1.36 -0.08 0.00 0.02 0.00 0.00 55.97 54.81 1k1t s LYS 20 Cb -0.17 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.34 1k1t s LYS 20 CO 0.14 -0.23 0.16 -1.21 -0.92 0.00 0.00 175.35 173.29 1k1t s GLU 21 N -4.01 3.59 0.03 1.68 0.41 -1.26 -0.14 118.70 119.01 1k1t s GLU 21 Ca 0.19 -0.09 -0.03 0.00 -0.41 0.00 0.00 54.97 54.63 1k1t s GLU 21 Cb 0.07 -3.23 -0.02 0.00 -1.78 0.00 0.00 34.13 29.18 1k1t s GLU 21 CO -0.02 0.70 0.04 0.00 -0.49 0.00 0.00 175.26 175.50 1k1t s ALA 22 N -0.82 0.01 -0.19 5.21 0.00 0.30 -4.55 121.76 121.72 1k1t s ALA 22 Ca 0.15 -0.55 -0.18 0.00 0.00 0.00 0.00 51.96 51.37 1k1t s ALA 22 Cb -0.12 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1k1t s ALA 22 CO 0.04 -0.24 0.51 -1.17 0.00 0.00 0.00 175.76 174.90 1k1t s LEU 23 N -1.83 4.16 -0.41 0.00 2.96 -0.08 -0.77 118.68 122.71 1k1t s LEU 23 Ca -0.10 0.69 -0.29 0.00 -0.22 0.00 0.00 54.13 54.22 1k1t s LEU 23 Cb -0.05 -2.71 0.02 0.00 0.50 0.00 0.00 46.19 43.96 1k1t s LEU 23 CO -0.03 -0.16 1.20 -0.76 -1.32 0.00 0.00 176.35 175.28 1k1t s LEU 24 N 1.52 3.73 -0.39 -0.68 1.43 -0.47 -0.43 118.68 123.38 1k1t s LEU 24 Ca 0.24 0.77 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 1k1t s LEU 24 Cb -0.15 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.63 1k1t s LEU 24 CO 0.10 -1.18 0.13 -0.62 0.23 0.00 0.00 176.35 175.01 1k1t s ASP 25 N 2.60 4.44 0.37 2.29 -1.08 -0.40 -4.78 116.67 120.11 1k1t s ASP 25 Ca 0.51 -2.35 0.28 0.00 -0.52 0.00 0.00 52.55 50.47 1k1t s ASP 25 Cb -0.11 -1.47 1.19 0.00 -1.46 0.00 0.00 42.92 41.08 1k1t s ASP 25 CO 0.27 -0.34 1.82 0.71 0.52 0.00 0.00 175.17 178.16 1k1t h THR 26 N 6.18 0.00 -0.37 1.71 1.35 -1.94 -1.75 112.91 118.09 1k1t h THR 26 Ca -0.06 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1k1t h THR 26 Cb 0.98 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1k1t h THR 26 CO 0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1k1t n GLY 27 N -0.17 1.12 3.38 5.82 0.00 -1.26 -4.82 105.19 109.27 1k1t n GLY 27 Ca 0.01 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1k1t n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1t s ALA 28 N -1.57 2.84 0.26 4.61 0.00 -0.66 -4.99 121.76 122.25 1k1t s ALA 28 Ca 0.27 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 51.25 1k1t s ALA 28 Cb 0.15 -1.59 0.34 0.00 0.00 0.00 0.00 23.12 22.02 1k1t s ALA 28 CO 0.16 -0.13 1.63 -0.44 0.00 0.00 0.00 175.76 176.98 1k1t h ASP 29 N 7.47 0.31 -1.83 0.00 3.32 -1.87 0.98 116.42 124.80 1k1t h ASP 29 Ca -0.35 -0.15 -0.62 0.00 0.02 0.00 0.00 57.03 55.92 1k1t h ASP 29 Cb 1.18 -0.09 -0.13 0.00 0.22 0.00 0.00 39.33 40.51 1k1t h ASP 29 CO 0.60 0.75 -0.64 -1.81 -1.72 0.00 0.00 179.24 176.42 1k1t s ASP 30 N -6.88 3.82 -0.21 6.45 1.01 -1.26 -2.59 116.67 117.01 1k1t s ASP 30 Ca -0.05 -1.25 -0.08 0.00 0.71 0.00 0.00 52.55 51.88 1k1t s ASP 30 Cb 0.13 -0.38 -0.04 0.00 1.01 0.00 0.00 42.92 43.64 1k1t s ASP 30 CO 0.79 -0.30 0.08 -0.89 0.21 0.00 0.00 175.17 175.06 1k1t s THR 31 N -2.64 4.70 -0.10 -1.27 2.01 -1.26 -2.86 115.64 114.22 1k1t s THR 31 Ca 0.34 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.29 1k1t s THR 31 Cb 0.05 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.42 1k1t s THR 31 CO 0.17 0.40 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.69 1k1t s VAL 32 N 0.89 1.28 -0.06 3.82 1.01 -0.47 -0.89 120.40 125.99 1k1t s VAL 32 Ca 0.04 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1k1t s VAL 32 Cb -0.14 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1k1t s VAL 32 CO 0.03 0.40 -0.17 -0.63 0.00 0.00 0.00 175.10 174.72 1k1t s ILE 33 N 1.19 2.78 0.42 2.22 -1.09 0.45 -0.30 121.20 126.86 1k1t s ILE 33 Ca -0.04 -0.82 -0.25 0.00 -2.23 0.00 0.00 60.65 57.32 1k1t s ILE 33 Cb -0.14 -2.07 -0.10 0.00 -1.58 0.00 0.00 42.46 38.56 1k1t s ILE 33 CO -0.03 0.58 1.11 -1.84 -1.23 0.00 0.00 174.94 173.52 1k1t n GLU 34 N 2.59 1.55 -1.23 2.79 0.28 -1.26 -1.78 120.64 123.58 1k1t n GLU 34 Ca -0.17 0.55 -0.48 0.00 -0.16 0.00 0.00 57.16 56.90 1k1t n GLU 34 Cb 0.52 -2.16 -0.07 0.00 1.43 0.00 0.00 31.44 31.16 1k1t n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1k1t n GLU 35 N 0.10 0.00 -3.66 3.44 4.07 -0.66 -4.65 120.64 119.28 1k1t n GLU 35 Ca 0.08 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.06 1k1t n GLU 35 Cb 0.39 -1.07 -0.06 0.00 -0.06 0.00 0.00 31.44 30.65 1k1t n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1k1t s MET 36 N 2.19 0.95 -1.30 5.31 0.23 -1.26 -4.99 119.30 120.42 1k1t s MET 36 Ca 0.75 -0.44 -0.09 0.00 -1.03 0.00 0.00 55.69 54.89 1k1t s MET 36 Cb -1.07 0.42 0.15 0.00 -1.53 0.00 0.00 34.83 32.81 1k1t s MET 36 CO 0.58 -0.34 2.02 0.43 -2.03 0.00 0.00 175.02 175.68 1k1t n SER 37 N 0.35 5.76 -4.76 -1.18 7.64 -1.26 -4.98 113.62 115.18 1k1t n SER 37 Ca -0.18 -3.10 -0.40 0.00 1.01 0.00 0.00 58.87 56.20 1k1t n SER 37 Cb 0.61 -1.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.31 1k1t n SER 37 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1k1t s LEU 38 N -0.51 4.51 0.67 -3.43 2.96 -1.26 -5.02 118.68 116.60 1k1t s LEU 38 Ca 0.43 2.39 -0.11 0.00 -0.22 0.00 0.00 54.13 56.63 1k1t s LEU 38 Cb 0.12 -3.64 -0.00 0.00 0.50 0.00 0.00 46.19 43.17 1k1t s LEU 38 CO -0.02 -0.26 1.05 -2.16 -1.32 0.00 0.00 176.35 173.65 1k1t s PRO 39 N -1.56 3.06 0.10 0.98 0.04 -1.26 -4.99 135.00 131.37 1k1t s PRO 39 Ca 0.46 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1k1t s PRO 39 Cb -0.34 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1k1t s PRO 39 CO 0.44 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1k1t n GLY 40 N -2.89 -3.14 3.82 0.56 0.00 -1.26 -4.98 105.19 97.31 1k1t n GLY 40 Ca 0.06 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 1k1t n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k1t s ARG 41 N -0.69 3.11 0.25 1.61 0.52 -1.26 -5.06 118.95 117.43 1k1t s ARG 41 Ca 0.00 0.99 -0.14 0.00 -0.52 0.00 0.00 55.73 56.06 1k1t s ARG 41 Cb 0.00 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.46 1k1t s ARG 41 CO 0.00 -0.96 0.53 1.67 0.02 0.00 0.00 175.30 176.55 1k1t s TRP 42 N -2.92 0.25 -0.06 -0.53 1.48 -1.26 -4.69 118.94 111.21 1k1t s TRP 42 Ca 0.59 -0.63 0.03 0.00 -1.06 0.00 0.00 56.10 55.03 1k1t s TRP 42 Cb -0.14 0.29 0.01 0.00 -1.16 0.00 0.00 33.47 32.47 1k1t s TRP 42 CO 0.50 -1.04 -0.16 0.21 -4.06 0.00 0.00 176.95 172.41 1k1t s LYS 43 N -4.00 1.93 0.09 3.25 2.20 -0.45 -4.90 119.74 117.86 1k1t s LYS 43 Ca 0.20 -0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 54.96 1k1t s LYS 43 Cb -0.02 -1.58 -0.06 0.00 -1.51 0.00 0.00 37.83 34.66 1k1t s LYS 43 CO 0.08 0.12 1.19 -1.25 -0.36 0.00 0.00 175.35 175.14 1k1t s PRO 44 N 0.41 4.45 0.26 4.03 0.04 -1.26 -0.42 135.00 142.51 1k1t s PRO 44 Ca -0.12 1.79 0.03 0.00 0.04 0.00 0.00 61.00 62.74 1k1t s PRO 44 Cb -0.15 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1k1t s PRO 44 CO 0.04 -0.21 0.19 0.96 0.04 0.00 0.00 177.00 178.03 1k1t s ILE 45 N 0.78 0.00 0.01 0.56 -4.36 -0.55 -4.92 121.20 112.71 1k1t s ILE 45 Ca 0.57 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 59.02 1k1t s ILE 45 Cb -0.30 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 40.88 1k1t s ILE 45 CO 0.31 0.00 -0.18 -0.04 0.24 0.00 0.00 174.94 175.26 1k1t s MET 46 N -3.85 2.19 0.09 0.37 -1.94 -1.26 -1.45 119.30 113.45 1k1t s MET 46 Ca 0.40 -0.90 0.03 0.00 -1.71 0.00 0.00 55.69 53.51 1k1t s MET 46 Cb 0.05 -2.21 -0.04 0.00 2.01 0.00 0.00 34.83 34.64 1k1t s MET 46 CO 0.19 0.57 -0.09 0.96 -0.01 0.00 0.00 175.02 176.63 1k1t s ILE 47 N -0.82 0.83 0.18 2.53 -4.36 -0.67 -4.97 121.20 113.92 1k1t s ILE 47 Ca 0.13 -1.61 0.03 0.00 -0.26 0.00 0.00 60.65 58.93 1k1t s ILE 47 Cb -0.10 -1.31 -0.05 0.00 1.25 0.00 0.00 42.46 42.25 1k1t s ILE 47 CO 0.03 -0.60 -0.02 -0.83 0.24 0.00 0.00 174.94 173.77 1k1t s GLY 48 N -2.44 1.29 0.04 6.27 0.00 -1.26 -0.63 107.32 110.60 1k1t s GLY 48 Ca 0.04 -1.62 0.01 0.00 0.00 0.00 0.00 44.72 43.15 1k1t s GLY 48 CO -0.01 -1.58 0.04 0.61 0.00 0.00 0.00 173.10 172.17 1k1t n GLY 49 N -0.28 3.71 0.62 0.20 0.00 0.17 -4.96 105.19 104.64 1k1t n GLY 49 Ca -0.07 -1.64 0.46 0.00 0.00 0.00 0.00 46.02 44.77 1k1t n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k1t h ILE 50 N 1.14 0.13 0.00 -0.61 2.04 -2.03 0.28 117.51 118.46 1k1t h ILE 50 Ca -0.03 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1k1t h ILE 50 Cb 0.16 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1k1t h ILE 50 CO 0.05 0.00 -0.97 0.61 0.00 0.00 0.00 178.15 177.84 1k1t n GLY 51 N -1.81 -1.32 0.00 5.37 0.00 -1.26 -5.09 105.19 101.09 1k1t n GLY 51 Ca 0.38 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1k1t n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1t n GLY 52 N 1.30 0.37 3.49 -0.02 0.00 0.97 -5.12 105.19 106.18 1k1t n GLY 52 Ca 0.01 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 1k1t n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k1t s PHE 53 N -2.56 2.46 0.16 1.61 0.40 -1.26 0.42 117.98 119.21 1k1t s PHE 53 Ca 0.00 -0.29 0.06 0.00 -0.60 0.00 0.00 56.93 56.10 1k1t s PHE 53 Cb 0.00 -1.21 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 1k1t s PHE 53 CO 0.00 0.50 -0.12 0.96 0.70 0.00 0.00 175.22 177.26 1k1t s ILE 54 N -1.67 1.37 -0.10 0.64 -4.36 0.20 -4.96 121.20 112.32 1k1t s ILE 54 Ca 0.23 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.41 1k1t s ILE 54 Cb -0.08 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.78 1k1t s ILE 54 CO 0.12 -0.61 0.56 -0.54 0.24 0.00 0.00 174.94 174.71 1k1t s LYS 55 N -3.41 4.37 0.15 0.37 1.02 -1.26 -1.66 119.74 119.32 1k1t s LYS 55 Ca 0.16 0.61 0.02 0.00 0.02 0.00 0.00 55.97 56.78 1k1t s LYS 55 Cb -0.01 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1k1t s LYS 55 CO 0.03 0.13 -0.02 0.14 -0.92 0.00 0.00 175.35 174.71 1k1t s VAL 56 N 0.67 0.70 -0.25 3.17 -7.23 -0.53 -4.41 120.40 112.52 1k1t s VAL 56 Ca 0.30 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.39 1k1t s VAL 56 Cb -0.16 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 1k1t s VAL 56 CO 0.13 -0.60 0.21 -0.13 -0.31 0.00 0.00 175.10 174.40 1k1t s ARG 57 N -3.89 4.05 -0.26 4.82 0.52 0.23 -1.49 118.95 122.94 1k1t s ARG 57 Ca 0.20 -0.21 -0.18 0.00 -0.52 0.00 0.00 55.73 55.02 1k1t s ARG 57 Cb 0.06 -3.58 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 1k1t s ARG 57 CO 0.01 -0.03 0.52 -1.14 0.02 0.00 0.00 175.30 174.68 1k1t s GLN 58 N 1.33 4.08 -0.14 3.54 0.74 0.44 -0.79 119.66 128.86 1k1t s GLN 58 Ca 0.09 0.33 -0.01 0.00 0.05 0.00 0.00 55.36 55.82 1k1t s GLN 58 Cb -0.14 -3.64 -0.02 0.00 1.10 0.00 0.00 33.01 30.30 1k1t s GLN 58 CO 0.07 -0.33 -0.10 0.71 -0.55 0.00 0.00 175.29 175.08 1k1t s TYR 59 N 2.25 2.87 0.16 1.67 1.51 0.02 -1.33 117.35 124.50 1k1t s TYR 59 Ca 0.21 -0.54 -0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1k1t s TYR 59 Cb -0.16 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 1k1t s TYR 59 CO 0.09 -0.15 0.34 -0.51 -1.11 0.00 0.00 175.55 174.20 1k1t s ASP 60 N 0.34 6.38 -1.37 2.29 -0.00 -1.26 -0.91 116.67 122.14 1k1t s ASP 60 Ca -0.09 0.34 -0.05 0.00 -0.00 0.00 0.00 52.55 52.75 1k1t s ASP 60 Cb -0.15 -1.98 0.03 0.00 -0.00 0.00 0.00 42.92 40.81 1k1t s ASP 60 CO 0.05 0.02 0.89 0.00 -0.00 0.00 0.00 175.17 176.13 1k1t n GLN 61 N -0.43 -5.73 -3.13 8.23 1.13 -1.09 -4.91 117.38 111.45 1k1t n GLN 61 Ca -0.05 0.67 -0.39 0.00 -1.94 0.00 0.00 57.00 55.29 1k1t n GLN 61 Cb 0.53 -5.45 -0.05 0.00 0.11 0.00 0.00 30.24 25.38 1k1t n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1k1t s ILE 62 N -3.47 4.99 0.06 5.09 -1.09 0.14 -4.72 121.20 122.20 1k1t s ILE 62 Ca 0.28 1.32 -0.30 0.00 -2.23 0.00 0.00 60.65 59.72 1k1t s ILE 62 Cb -0.13 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 1k1t s ILE 62 CO 0.80 0.33 1.13 -0.63 -1.23 0.00 0.00 174.94 175.34 1k1t s ILE 63 N 0.36 4.21 -0.18 2.92 1.01 -1.26 -1.52 121.20 126.74 1k1t s ILE 63 Ca 0.34 1.62 -0.10 0.00 0.00 0.00 0.00 60.65 62.51 1k1t s ILE 63 Cb -0.18 -4.04 0.06 0.00 0.01 0.00 0.00 42.46 38.32 1k1t s ILE 63 CO 0.17 0.15 0.44 -0.51 0.00 0.00 0.00 174.94 175.19 1k1t s ILE 64 N 0.88 -0.02 -0.19 2.92 2.07 -0.42 -4.41 121.20 122.03 1k1t s ILE 64 Ca 0.56 0.08 -0.09 0.00 -1.41 0.00 0.00 60.65 59.79 1k1t s ILE 64 Cb -0.27 -0.65 -0.05 0.00 0.13 0.00 0.00 42.46 41.62 1k1t s ILE 64 CO 0.30 0.03 0.11 -0.70 -1.91 0.00 0.00 174.94 172.77 1k1t s GLU 65 N 1.39 4.11 -0.24 3.50 2.12 -0.52 -0.98 118.70 128.08 1k1t s GLU 65 Ca -0.09 -0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.01 1k1t s GLU 65 Cb -0.08 -3.36 0.05 0.00 0.26 0.00 0.00 34.13 31.00 1k1t s GLU 65 CO -0.13 0.31 -0.13 0.42 -0.54 0.00 0.00 175.26 175.19 1k1t s ILE 66 N 0.31 2.09 -1.64 -3.70 1.01 0.51 -0.94 121.20 118.84 1k1t s ILE 66 Ca 0.07 -1.43 -0.17 0.00 0.00 0.00 0.00 60.65 59.12 1k1t s ILE 66 Cb -0.11 -2.13 0.13 0.00 0.01 0.00 0.00 42.46 40.36 1k1t s ILE 66 CO -0.01 0.11 0.87 0.00 0.00 0.00 0.00 174.94 175.91 1k1t n ALA 67 N 4.50 -1.26 -0.37 9.38 0.00 -0.03 -0.63 120.51 132.09 1k1t n ALA 67 Ca -0.16 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1k1t n ALA 67 Cb 0.44 -3.90 0.00 0.00 0.00 0.00 0.00 19.45 15.99 1k1t n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k1t n GLY 68 N -1.51 1.09 3.50 0.00 0.00 -1.26 -5.02 105.19 101.98 1k1t n GLY 68 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1k1t n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k1t s HIS 69 N -2.94 3.13 0.37 1.61 4.02 0.19 -5.08 115.29 116.59 1k1t s HIS 69 Ca 0.00 -0.26 -0.26 0.00 1.02 0.00 0.00 55.06 55.57 1k1t s HIS 69 Cb 0.00 -2.25 -0.09 0.00 -1.02 0.00 0.00 32.58 29.22 1k1t s HIS 69 CO 0.00 -0.26 1.08 0.15 1.02 0.00 0.00 174.74 176.73 1k1t s LYS 70 N 1.51 4.26 0.12 1.40 1.02 -1.26 -0.36 119.74 126.42 1k1t s LYS 70 Ca 0.06 1.64 -0.11 0.00 0.02 0.00 0.00 55.97 57.58 1k1t s LYS 70 Cb -0.15 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1k1t s LYS 70 CO 0.05 -0.09 0.28 0.00 -0.92 0.00 0.00 175.35 174.67 1k1t s ALA 71 N -1.49 -0.36 -0.17 5.17 0.00 -0.15 -4.81 121.76 119.95 1k1t s ALA 71 Ca 0.54 -0.54 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 1k1t s ALA 71 Cb -0.26 0.64 0.06 0.00 0.00 0.00 0.00 23.12 23.56 1k1t s ALA 71 CO 0.33 -0.59 0.40 -1.50 0.00 0.00 0.00 175.76 174.40 1k1t s ILE 72 N -3.88 -0.02 -0.14 0.00 2.07 -1.26 -1.30 121.20 116.67 1k1t s ILE 72 Ca 0.08 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 1k1t s ILE 72 Cb 0.04 -0.60 0.00 0.00 0.13 0.00 0.00 42.46 42.03 1k1t s ILE 72 CO -0.08 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 1k1t n GLY 73 N 4.19 -0.96 3.72 1.50 0.00 -0.57 -4.87 105.19 108.21 1k1t n GLY 73 Ca -0.23 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 1k1t n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1t s THR 74 N -3.00 4.25 -0.03 2.61 2.01 -1.26 -0.68 115.64 119.54 1k1t s THR 74 Ca 0.00 1.76 0.04 0.00 0.31 0.00 0.00 61.69 63.80 1k1t s THR 74 Cb 0.00 -4.12 -0.00 0.00 0.01 0.00 0.00 72.50 68.38 1k1t s THR 74 CO 0.00 0.22 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.32 1k1t s VAL 75 N 0.43 1.12 -0.13 3.82 1.01 -0.09 -4.50 120.40 122.06 1k1t s VAL 75 Ca 0.52 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 1k1t s VAL 75 Cb -0.26 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1k1t s VAL 75 CO 0.31 0.33 0.06 -0.76 0.00 0.00 0.00 175.10 175.04 1k1t s LEU 76 N 0.00 3.90 -0.06 3.92 1.43 -0.07 -0.80 118.68 127.01 1k1t s LEU 76 Ca -0.01 0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.34 1k1t s LEU 76 Cb -0.09 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1k1t s LEU 76 CO 0.01 0.32 -0.18 -0.69 0.23 0.00 0.00 176.35 176.04 1k1t s VAL 77 N -0.50 1.50 -1.95 -1.59 1.01 0.03 -0.42 120.40 118.48 1k1t s VAL 77 Ca 0.10 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1k1t s VAL 77 Cb -0.12 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1k1t s VAL 77 CO 0.02 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1k1t n GLY 78 N 3.38 -1.06 2.34 4.51 0.00 -0.73 -0.60 105.19 113.03 1k1t n GLY 78 Ca -0.20 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 1k1t n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k1t n PRO 79 N 0.00 3.40 -2.84 1.61 -0.04 -1.26 -1.65 135.00 134.21 1k1t n PRO 79 Ca 0.00 -2.04 -0.36 0.00 -0.04 0.00 0.00 63.50 61.06 1k1t n PRO 79 Cb 0.00 -2.71 -0.06 0.00 -0.04 0.00 0.00 33.50 30.68 1k1t n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1k1t s THR 80 N 2.29 4.31 -0.85 0.52 -1.32 -1.26 -4.96 115.64 114.38 1k1t s THR 80 Ca 0.65 1.66 0.19 0.00 -1.21 0.00 0.00 61.69 62.98 1k1t s THR 80 Cb 0.17 -3.90 0.17 0.00 -1.51 0.00 0.00 72.50 67.44 1k1t s THR 80 CO -0.05 0.05 1.58 -0.81 -2.21 0.00 0.00 174.62 173.18 1k1t n PRO 81 N 0.32 0.06 -3.69 7.08 -0.04 -1.26 -4.76 135.00 132.71 1k1t n PRO 81 Ca 0.02 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.62 1k1t n PRO 81 Cb 0.51 -1.61 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 1k1t n PRO 81 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1k1t s SER 82 N -3.40 -0.39 0.21 3.54 0.15 -1.26 -5.12 113.70 107.42 1k1t s SER 82 Ca 0.07 0.48 -0.31 0.00 0.70 0.00 0.00 55.95 56.89 1k1t s SER 82 Cb 0.10 0.55 -0.10 0.00 -1.71 0.00 0.00 66.02 64.87 1k1t s SER 82 CO 0.33 -0.41 1.47 0.20 1.20 0.00 0.00 173.24 176.04 1k1t s ASN 83 N -0.85 6.65 -0.08 5.45 0.01 -1.26 -4.67 114.94 120.19 1k1t s ASN 83 Ca -0.09 2.61 0.01 0.00 -0.71 0.00 0.00 52.86 54.68 1k1t s ASN 83 Cb -0.03 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.03 1k1t s ASN 83 CO 0.05 -0.73 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.17 1k1t s ILE 84 N 0.50 1.04 -0.36 0.60 1.01 0.59 -0.91 121.20 123.67 1k1t s ILE 84 Ca 0.63 -0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 1k1t s ILE 84 Cb -0.42 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 1k1t s ILE 84 CO 0.38 0.35 0.37 -0.63 0.00 0.00 0.00 174.94 175.41 1k1t s ILE 85 N 1.02 5.16 0.26 2.92 -1.09 0.43 -1.36 121.20 128.53 1k1t s ILE 85 Ca -0.08 -0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.35 1k1t s ILE 85 Cb -0.15 -3.86 0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1k1t s ILE 85 CO -0.00 -0.15 0.34 0.61 -1.23 0.00 0.00 174.94 174.50 1k1t n GLY 86 N 4.98 2.03 0.24 6.18 0.00 -1.13 -1.28 105.19 116.21 1k1t n GLY 86 Ca -0.09 -2.18 0.06 0.00 0.00 0.00 0.00 46.02 43.81 1k1t n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k1t h ARG 87 N 0.00 0.04 -0.30 1.61 3.08 -0.79 -0.33 114.38 117.68 1k1t h ARG 87 Ca -0.12 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.98 1k1t h ARG 87 Cb 0.56 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1k1t h ARG 87 CO 0.18 0.15 0.21 -2.95 -1.07 0.00 0.00 179.97 176.49 1k1t h ASN 88 N 0.04 0.11 0.00 7.04 -1.07 -1.76 -1.89 115.58 118.05 1k1t h ASN 88 Ca 0.01 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.08 1k1t h ASN 88 Cb 0.21 -0.02 -0.06 0.00 -2.07 0.00 0.00 38.32 36.38 1k1t h ASN 88 CO 0.01 0.07 -2.19 0.18 0.07 0.00 0.00 177.43 175.57 1k1t n LEU 89 N -4.47 0.00 -0.21 6.14 4.77 -0.64 -4.31 117.00 118.28 1k1t n LEU 89 Ca 0.04 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.05 1k1t n LEU 89 Cb 0.29 0.41 0.28 0.00 -2.33 0.00 0.00 43.42 42.07 1k1t n LEU 89 CO 0.35 0.41 1.23 -0.07 -1.33 0.00 0.00 177.39 177.98 1k1t h LEU 90 N 0.00 0.80 -1.26 2.23 3.38 -0.87 -1.09 115.31 118.50 1k1t h LEU 90 Ca -0.45 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 1k1t h LEU 90 Cb 2.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 1k1t h LEU 90 CO 0.02 0.55 0.11 0.71 0.09 0.00 0.00 178.44 179.92 1k1t h THR 91 N 0.93 1.19 0.00 0.22 1.35 -1.56 -1.81 112.91 113.22 1k1t h THR 91 Ca 0.30 -0.65 -0.07 0.00 -0.55 0.00 0.00 66.41 65.44 1k1t h THR 91 Cb 0.05 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 67.21 1k1t h THR 91 CO -0.09 0.24 -0.35 1.56 -0.25 0.00 0.00 175.52 176.64 1k1t h GLN 92 N 0.61 0.00 -0.59 4.72 4.20 -1.39 -2.19 115.11 120.47 1k1t h GLN 92 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1k1t h GLN 92 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1k1t h GLN 92 CO -0.00 0.35 0.00 0.44 -0.67 0.00 0.00 178.83 178.94 1k1t n ILE 93 N -3.44 0.79 -2.42 2.54 -5.35 -1.07 -4.95 119.36 105.46 1k1t n ILE 93 Ca 0.00 -0.82 -0.10 0.00 -0.27 0.00 0.00 62.75 61.56 1k1t n ILE 93 Cb 0.52 0.47 0.01 0.00 -1.74 0.00 0.00 39.64 38.90 1k1t n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k1t n GLY 94 N 1.49 0.04 3.77 3.28 0.00 -0.82 -5.00 105.19 107.95 1k1t n GLY 94 Ca 0.21 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1k1t n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1t s ALA 95 N -2.68 3.42 0.20 4.61 0.00 -0.71 -5.04 121.76 121.55 1k1t s ALA 95 Ca 0.08 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.52 1k1t s ALA 95 Cb -0.03 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 1k1t s ALA 95 CO 0.10 0.27 -0.07 0.95 0.00 0.00 0.00 175.76 177.01 1k1t s THR 96 N -1.15 1.26 -0.13 0.00 -4.23 -1.26 -4.73 115.64 105.40 1k1t s THR 96 Ca 0.37 -2.08 -0.07 0.00 -1.18 0.00 0.00 61.69 58.73 1k1t s THR 96 Cb -0.24 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 1k1t s THR 96 CO 0.28 -0.54 0.14 -0.22 -0.54 0.00 0.00 174.62 173.73 1k1t s LEU 97 N -3.26 4.36 -0.01 4.79 2.96 -1.26 -5.09 118.68 121.16 1k1t s LEU 97 Ca 0.23 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 1k1t s LEU 97 Cb 0.03 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1k1t s LEU 97 CO 0.05 0.39 0.02 0.20 -1.32 0.00 0.00 176.35 175.69 1k1t s ASN 98 N -0.92 0.06 0.00 3.68 -0.87 -1.26 -5.30 114.94 110.33 1k1t s ASN 98 Ca 0.14 0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.46 1k1t s ASN 98 Cb -0.12 -0.05 0.00 0.00 -0.02 0.00 0.00 41.25 41.06 1k1t s ASN 98 CO 0.03 -0.09 0.00 2.22 -2.57 0.00 0.00 177.10 176.70