#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4t h ASP 2 N 0.00 0.00 -0.48 7.83 3.32 -2.05 -3.11 116.42 121.93 1d4t h ASP 2 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1d4t h ASP 2 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1d4t h ASP 2 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1d4t n ALA 3 N -1.80 2.52 -3.88 3.45 0.00 -1.26 -4.86 120.51 114.68 1d4t n ALA 3 Ca 0.03 -1.43 -0.34 0.00 0.00 0.00 0.00 53.44 51.70 1d4t n ALA 3 Cb 0.30 -0.70 -0.13 0.00 0.00 0.00 0.00 19.45 18.91 1d4t n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1d4t s VAL 4 N -1.43 2.84 0.42 0.00 1.01 -1.18 -4.97 120.40 117.09 1d4t s VAL 4 Ca 0.37 -2.19 0.28 0.00 0.00 0.00 0.00 61.98 60.44 1d4t s VAL 4 Cb 0.22 -3.00 0.30 0.00 0.00 0.00 0.00 36.38 33.90 1d4t s VAL 4 CO 0.21 -0.65 2.08 0.00 0.00 0.00 0.00 175.10 176.73 1d4t h ALA 5 N 7.85 1.29 -0.14 5.51 0.00 -1.89 -1.12 119.26 130.77 1d4t h ALA 5 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1d4t h ALA 5 Cb 1.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1d4t h ALA 5 CO 0.62 0.14 0.00 1.33 0.00 0.00 0.00 179.25 181.34 1d4t n VAL 6 N -3.64 0.18 -3.18 0.00 0.24 -1.26 -1.37 118.33 109.31 1d4t n VAL 6 Ca -0.02 -0.19 -0.40 0.00 -2.04 0.00 0.00 64.34 61.69 1d4t n VAL 6 Cb 0.23 0.08 -0.07 0.00 -1.47 0.00 0.00 33.84 32.62 1d4t n VAL 6 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1d4t s TYR 7 N -1.82 3.30 -2.32 6.34 5.04 -0.42 -0.73 117.35 126.74 1d4t s TYR 7 Ca 0.13 0.75 0.21 0.00 -2.44 0.00 0.00 57.07 55.71 1d4t s TYR 7 Cb 0.07 -2.77 0.30 0.00 0.35 0.00 0.00 41.96 39.91 1d4t s TYR 7 CO 0.09 -0.26 1.26 0.72 -1.34 0.00 0.00 175.55 176.02 1d4t n HIS 8 N 5.45 0.28 -4.10 4.97 8.25 -0.09 -4.65 115.22 125.33 1d4t n HIS 8 Ca -0.03 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1d4t n HIS 8 Cb 0.49 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1d4t n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d4t n GLY 9 N 1.25 0.19 2.16 -1.41 0.00 -1.26 -4.14 105.19 101.97 1d4t n GLY 9 Ca 0.15 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1d4t n GLY 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1d4t n LYS 10 N 6.51 2.11 -2.38 1.61 4.81 -1.26 -1.24 118.16 128.32 1d4t n LYS 10 Ca 0.00 -2.04 -0.34 0.00 -0.87 0.00 0.00 58.31 55.06 1d4t n LYS 10 Cb 0.00 -1.87 -0.02 0.00 0.02 0.00 0.00 35.03 33.16 1d4t n LYS 10 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1d4t s ILE 11 N -2.61 3.61 0.70 3.15 -4.36 -1.26 -4.97 121.20 115.47 1d4t s ILE 11 Ca 0.44 0.96 -0.13 0.00 -0.26 0.00 0.00 60.65 61.67 1d4t s ILE 11 Cb 0.32 -3.39 0.02 0.00 1.25 0.00 0.00 42.46 40.66 1d4t s ILE 11 CO -0.09 -0.26 1.09 -0.94 0.24 0.00 0.00 174.94 174.99 1d4t s SER 12 N -2.06 4.95 0.22 4.36 1.04 -1.26 -4.73 113.70 116.22 1d4t s SER 12 Ca 0.68 1.87 -0.11 0.00 0.48 0.00 0.00 55.95 58.87 1d4t s SER 12 Cb -0.18 -2.53 0.30 0.00 0.10 0.00 0.00 66.02 63.71 1d4t s SER 12 CO 0.25 -1.74 1.64 -0.09 0.98 0.00 0.00 173.24 174.28 1d4t h ARG 13 N -0.49 0.07 -0.13 4.02 2.43 -1.95 -1.33 114.38 117.00 1d4t h ARG 13 Ca -0.45 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.61 1d4t h ARG 13 Cb 1.23 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1d4t h ARG 13 CO 0.53 0.05 -0.40 0.93 -1.51 0.00 0.00 179.97 179.57 1d4t h GLU 14 N 0.07 0.28 -0.35 0.20 3.07 -1.99 -0.63 114.58 115.24 1d4t h GLU 14 Ca 0.33 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 1d4t h GLU 14 Cb 0.54 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1d4t h GLU 14 CO -0.60 0.64 0.20 1.15 -1.40 0.00 0.00 179.01 179.01 1d4t h THR 15 N 0.24 1.13 -0.82 1.13 2.02 -1.74 -1.12 112.91 113.76 1d4t h THR 15 Ca 0.02 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1d4t h THR 15 Cb 0.81 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1d4t h THR 15 CO 0.06 0.13 0.54 1.23 0.37 0.00 0.00 175.52 177.86 1d4t h GLY 16 N 0.45 1.15 0.63 2.16 0.00 -0.83 -0.99 103.07 105.65 1d4t h GLY 16 Ca 0.13 -0.43 0.05 0.00 0.00 0.00 0.00 47.33 47.08 1d4t h GLY 16 CO -0.02 0.42 0.14 0.83 0.00 0.00 0.00 176.54 177.90 1d4t h GLU 17 N 1.11 0.29 -0.40 4.80 5.08 -0.81 -1.55 114.58 123.09 1d4t h GLU 17 Ca 0.30 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.53 1d4t h GLU 17 Cb -0.13 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1d4t h GLU 17 CO -0.07 0.19 -0.20 0.87 -1.00 0.00 0.00 179.01 178.80 1d4t h LYS 18 N 0.29 0.78 -0.75 2.33 1.79 -0.76 0.38 116.57 120.64 1d4t h LYS 18 Ca 0.19 -0.30 -0.02 0.00 -2.18 0.00 0.00 60.65 58.33 1d4t h LYS 18 Cb 0.18 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 1d4t h LYS 18 CO -0.20 0.92 0.38 -0.07 -1.08 0.00 0.00 179.45 179.40 1d4t h LEU 19 N 0.68 0.96 -0.17 2.94 3.38 -0.96 -1.63 115.31 120.51 1d4t h LEU 19 Ca 0.10 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1d4t h LEU 19 Cb 0.71 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1d4t h LEU 19 CO 0.05 0.81 -0.26 -0.07 0.09 0.00 0.00 178.44 179.06 1d4t h LEU 20 N 1.04 0.52 -1.81 1.67 3.38 -0.98 -3.16 115.31 115.98 1d4t h LEU 20 Ca 0.26 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1d4t h LEU 20 Cb 0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1d4t h LEU 20 CO -0.04 0.95 0.13 -0.07 0.09 0.00 0.00 178.44 179.50 1d4t h LEU 21 N 0.11 0.22 -1.75 1.67 3.38 -0.82 -1.82 115.31 116.31 1d4t h LEU 21 Ca 0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1d4t h LEU 21 Cb 0.84 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1d4t h LEU 21 CO 0.06 0.16 -0.12 0.00 0.09 0.00 0.00 178.44 178.64 1d4t h ALA 22 N 1.88 1.79 -0.04 1.53 0.00 -1.26 -0.70 119.26 122.47 1d4t h ALA 22 Ca 0.07 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1d4t h ALA 22 Cb -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1d4t h ALA 22 CO -0.02 0.16 -0.57 1.79 0.00 0.00 0.00 179.25 180.62 1d4t h THR 23 N 0.01 1.39 -0.25 0.00 1.35 -1.39 -3.47 112.91 110.55 1d4t h THR 23 Ca 0.00 -1.92 -0.11 0.00 -0.55 0.00 0.00 66.41 63.83 1d4t h THR 23 Cb 0.21 2.00 -0.04 0.00 -1.73 0.00 0.00 68.15 68.59 1d4t h THR 23 CO 0.02 0.56 -0.10 0.61 -0.25 0.00 0.00 175.52 176.35 1d4t n GLY 24 N 0.14 0.66 3.20 5.82 0.00 -0.27 -4.98 105.19 109.75 1d4t n GLY 24 Ca -0.02 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1d4t n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d4t s LEU 25 N -1.22 2.56 0.35 0.99 1.43 -1.26 -5.09 118.68 116.44 1d4t s LEU 25 Ca 0.00 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 52.23 1d4t s LEU 25 Cb 0.00 -1.60 -0.11 0.00 0.03 0.00 0.00 46.19 44.51 1d4t s LEU 25 CO 0.00 -0.02 1.54 -1.81 0.23 0.00 0.00 176.35 176.29 1d4t s ASP 26 N 1.36 6.33 0.00 2.29 -0.00 -1.26 -1.61 116.67 123.78 1d4t s ASP 26 Ca 0.05 3.04 0.00 0.00 -0.00 0.00 0.00 52.55 55.63 1d4t s ASP 26 Cb -0.14 -2.66 0.00 0.00 -0.00 0.00 0.00 42.92 40.12 1d4t s ASP 26 CO -0.08 -0.91 0.00 0.61 -0.00 0.00 0.00 175.17 174.79 1d4t n GLY 27 N 1.08 0.74 3.77 0.21 0.00 -0.14 -4.88 105.19 105.97 1d4t n GLY 27 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1d4t n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d4t s SER 28 N -2.88 5.94 0.09 1.61 1.04 -0.63 -1.29 113.70 117.58 1d4t s SER 28 Ca 0.00 2.33 -0.19 0.00 0.48 0.00 0.00 55.95 58.57 1d4t s SER 28 Cb 0.00 -2.60 0.04 0.00 0.10 0.00 0.00 66.02 63.56 1d4t s SER 28 CO 0.00 -1.08 0.46 -0.72 0.98 0.00 0.00 173.24 172.88 1d4t s TYR 29 N -1.57 -0.32 0.26 5.02 -0.85 -0.72 -1.12 117.35 118.05 1d4t s TYR 29 Ca 0.67 0.17 -0.10 0.00 -0.52 0.00 0.00 57.07 57.29 1d4t s TYR 29 Cb -0.29 0.32 -0.01 0.00 0.38 0.00 0.00 41.96 42.36 1d4t s TYR 29 CO 0.34 -0.68 0.44 -0.48 -1.52 0.00 0.00 175.55 173.65 1d4t s LEU 30 N -2.42 0.51 -0.01 -3.49 0.05 -0.60 -1.16 118.68 111.57 1d4t s LEU 30 Ca -0.01 -1.07 0.08 0.00 0.05 0.00 0.00 54.13 53.18 1d4t s LEU 30 Cb 0.00 1.56 -0.02 0.00 -2.05 0.00 0.00 46.19 45.68 1d4t s LEU 30 CO -0.08 -1.13 -0.24 -0.76 -0.55 0.00 0.00 176.35 173.59 1d4t s LEU 31 N -3.07 2.18 0.17 1.48 1.43 0.09 -0.81 118.68 120.16 1d4t s LEU 31 Ca 0.26 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1d4t s LEU 31 Cb 0.00 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1d4t s LEU 31 CO 0.11 0.31 0.19 0.00 0.23 0.00 0.00 176.35 177.19 1d4t s ARG 32 N -0.81 1.12 0.56 1.70 1.70 -0.82 -0.91 118.95 121.50 1d4t s ARG 32 Ca 0.11 -1.37 -0.19 0.00 -0.47 0.00 0.00 55.73 53.80 1d4t s ARG 32 Cb -0.10 0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 34.55 1d4t s ARG 32 CO 0.00 -0.38 1.17 -0.51 -1.08 0.00 0.00 175.30 174.50 1d4t s ASP 33 N -3.04 5.48 0.45 -2.89 -0.00 -0.37 -0.40 116.67 115.90 1d4t s ASP 33 Ca 0.25 2.28 -0.25 0.00 -0.00 0.00 0.00 52.55 54.83 1d4t s ASP 33 Cb 0.05 -2.59 -0.08 0.00 -0.00 0.00 0.00 42.92 40.30 1d4t s ASP 33 CO 0.04 -1.39 1.39 -0.55 -0.00 0.00 0.00 175.17 174.66 1d4t s SER 34 N -1.67 5.89 0.00 0.27 0.15 -0.01 -4.58 113.70 113.74 1d4t s SER 34 Ca 0.75 2.83 0.27 0.00 0.70 0.00 0.00 55.95 60.50 1d4t s SER 34 Cb -0.27 -2.65 0.90 0.00 -1.71 0.00 0.00 66.02 62.29 1d4t s SER 34 CO 0.30 -1.16 1.67 -0.62 1.20 0.00 0.00 173.24 174.63 1d4t n GLU 35 N -0.25 0.36 -0.03 5.44 1.02 -1.26 -4.48 120.64 121.44 1d4t n GLU 35 Ca 0.06 -0.16 -0.03 0.00 -0.02 0.00 0.00 57.16 57.00 1d4t n GLU 35 Cb 0.43 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.31 1d4t n GLU 35 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1d4t n SER 36 N -1.18 3.57 -3.70 1.62 3.41 -1.26 -5.02 113.62 111.06 1d4t n SER 36 Ca 0.10 -0.01 -0.20 0.00 -0.26 0.00 0.00 58.87 58.49 1d4t n SER 36 Cb 0.32 0.44 -0.18 0.00 -0.26 0.00 0.00 64.21 64.53 1d4t n SER 36 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1d4t s VAL 37 N -2.14 0.01 0.30 -3.33 1.01 -1.26 -5.12 120.40 109.87 1d4t s VAL 37 Ca -0.05 0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 1d4t s VAL 37 Cb 0.02 -0.24 -0.13 0.00 0.00 0.00 0.00 36.38 36.03 1d4t s VAL 37 CO 0.21 0.19 1.31 -2.65 0.00 0.00 0.00 175.10 174.17 1d4t n PRO 38 N 5.18 2.03 -0.99 2.72 -0.02 -1.26 -2.29 135.00 140.37 1d4t n PRO 38 Ca -0.06 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1d4t n PRO 38 Cb 0.50 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1d4t n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d4t n GLY 39 N 1.35 0.27 3.93 -1.23 0.00 -1.26 -5.02 105.19 103.22 1d4t n GLY 39 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1d4t n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d4t s VAL 40 N -1.55 5.27 0.27 1.61 1.01 -0.97 -4.61 120.40 121.43 1d4t s VAL 40 Ca 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1d4t s VAL 40 Cb 0.00 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 1d4t s VAL 40 CO 0.00 -0.05 -0.09 -0.31 0.00 0.00 0.00 175.10 174.65 1d4t s TYR 41 N -1.70 2.00 -0.16 5.22 1.51 0.04 -0.83 117.35 123.43 1d4t s TYR 41 Ca 0.34 -0.61 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 1d4t s TYR 41 Cb -0.11 -1.07 0.02 0.00 -0.11 0.00 0.00 41.96 40.68 1d4t s TYR 41 CO 0.28 0.38 -0.15 0.00 -1.11 0.00 0.00 175.55 174.95 1d4t s LEU 43 N 1.44 4.22 -0.22 0.00 2.96 0.17 -1.94 118.68 125.30 1d4t s LEU 43 Ca 0.05 0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 54.04 1d4t s LEU 43 Cb -0.13 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 1d4t s LEU 43 CO -0.11 -0.75 -0.01 0.00 -1.32 0.00 0.00 176.35 174.15 1d4t s VAL 45 N 1.46 1.47 0.02 0.00 1.01 0.17 -1.55 120.40 122.99 1d4t s VAL 45 Ca 0.05 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 1d4t s VAL 45 Cb -0.14 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1d4t s VAL 45 CO -0.01 0.44 0.90 -0.22 0.00 0.00 0.00 175.10 176.20 1d4t s LEU 46 N 1.05 4.41 -0.22 3.92 2.96 -0.27 -0.52 118.68 130.01 1d4t s LEU 46 Ca -0.05 1.58 -0.06 0.00 -0.22 0.00 0.00 54.13 55.38 1d4t s LEU 46 Cb -0.15 -3.44 0.10 0.00 0.50 0.00 0.00 46.19 43.21 1d4t s LEU 46 CO -0.03 -0.15 0.44 -0.47 -1.32 0.00 0.00 176.35 174.83 1d4t s TYR 47 N 0.56 -0.88 -1.39 5.38 6.14 -0.26 -0.97 117.35 125.93 1d4t s TYR 47 Ca 0.46 1.51 -0.04 0.00 0.64 0.00 0.00 57.07 59.64 1d4t s TYR 47 Cb -0.21 0.32 0.03 0.00 0.42 0.00 0.00 41.96 42.52 1d4t s TYR 47 CO 0.26 -0.55 0.75 0.72 0.64 0.00 0.00 175.55 177.38 1d4t n HIS 48 N 5.39 -2.00 -0.97 4.97 8.25 -1.26 -2.03 115.22 127.59 1d4t n HIS 48 Ca -0.08 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.23 1d4t n HIS 48 Cb 0.50 -4.18 0.00 0.00 1.12 0.00 0.00 29.99 27.42 1d4t n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d4t n GLY 49 N -1.65 0.87 3.48 -1.41 0.00 -1.26 -5.01 105.19 100.21 1d4t n GLY 49 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 1d4t n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1d4t s TYR 50 N -3.57 2.43 -0.46 1.61 1.51 -0.86 -5.08 117.35 112.93 1d4t s TYR 50 Ca 0.00 -0.30 -0.07 0.00 -1.01 0.00 0.00 57.07 55.69 1d4t s TYR 50 Cb 0.00 -1.19 0.12 0.00 -0.11 0.00 0.00 41.96 40.78 1d4t s TYR 50 CO 0.00 0.52 0.31 0.42 -1.11 0.00 0.00 175.55 175.68 1d4t s ILE 51 N -1.73 3.88 -0.19 2.71 1.09 -1.26 -1.10 121.20 124.59 1d4t s ILE 51 Ca 0.23 -1.94 -0.29 0.00 -1.10 0.00 0.00 60.65 57.54 1d4t s ILE 51 Cb -0.08 -3.59 -0.00 0.00 -1.06 0.00 0.00 42.46 37.73 1d4t s ILE 51 CO 0.12 -0.75 1.15 -0.31 -0.10 0.00 0.00 174.94 175.05 1d4t s TYR 52 N 1.21 3.09 -0.16 3.97 1.51 0.32 -4.79 117.35 122.50 1d4t s TYR 52 Ca 0.07 1.23 0.01 0.00 -1.01 0.00 0.00 57.07 57.38 1d4t s TYR 52 Cb -0.25 -3.39 0.02 0.00 -0.11 0.00 0.00 41.96 38.24 1d4t s TYR 52 CO -0.02 -1.11 -0.18 0.99 -1.11 0.00 0.00 175.55 174.12 1d4t s THR 53 N 3.30 1.86 -0.23 -0.71 2.01 -1.26 -0.65 115.64 119.96 1d4t s THR 53 Ca 0.50 -0.82 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 1d4t s THR 53 Cb -0.19 -1.70 -0.00 0.00 0.01 0.00 0.00 72.50 70.62 1d4t s THR 53 CO 0.11 0.51 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.20 1d4t s TYR 54 N 1.33 2.98 0.09 4.92 1.51 0.09 -4.94 117.35 123.32 1d4t s TYR 54 Ca 0.04 -1.00 -0.30 0.00 -1.01 0.00 0.00 57.07 54.80 1d4t s TYR 54 Cb -0.13 -2.11 -0.06 0.00 -0.11 0.00 0.00 41.96 39.55 1d4t s TYR 54 CO -0.11 -0.57 1.08 1.03 -1.11 0.00 0.00 175.55 175.87 1d4t s ARG 55 N 1.47 4.55 -0.10 -0.62 0.52 -1.26 -0.66 118.95 122.85 1d4t s ARG 55 Ca 0.05 1.62 0.03 0.00 -0.52 0.00 0.00 55.73 56.91 1d4t s ARG 55 Cb -0.15 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 31.98 1d4t s ARG 55 CO -0.03 -0.04 -0.18 0.08 0.02 0.00 0.00 175.30 175.15 1d4t s VAL 56 N 0.51 1.62 0.09 3.52 1.01 0.54 -0.49 120.40 127.21 1d4t s VAL 56 Ca 0.53 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.81 1d4t s VAL 56 Cb -0.27 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1d4t s VAL 56 CO 0.31 0.46 -0.13 -0.44 0.00 0.00 0.00 175.10 175.30 1d4t s SER 57 N 0.69 1.66 -0.06 3.32 0.01 -0.54 -0.78 113.70 118.00 1d4t s SER 57 Ca -0.12 -0.72 -0.03 0.00 1.31 0.00 0.00 55.95 56.38 1d4t s SER 57 Cb -0.16 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 1d4t s SER 57 CO 0.03 -0.15 0.09 -1.58 0.41 0.00 0.00 173.24 172.04 1d4t s GLN 58 N -2.29 3.21 0.57 12.44 0.74 -1.26 -1.67 119.66 131.40 1d4t s GLN 58 Ca 0.03 -0.33 0.01 0.00 0.05 0.00 0.00 55.36 55.11 1d4t s GLN 58 Cb -0.07 -2.98 0.04 0.00 1.10 0.00 0.00 33.01 31.11 1d4t s GLN 58 CO 0.02 0.71 0.80 0.95 -0.55 0.00 0.00 175.29 177.21 1d4t s THR 59 N -1.09 2.61 -1.03 -0.34 -4.23 0.70 -4.96 115.64 107.30 1d4t s THR 59 Ca 0.19 -0.65 0.16 0.00 -1.18 0.00 0.00 61.69 60.20 1d4t s THR 59 Cb -0.12 -2.96 0.14 0.00 1.34 0.00 0.00 72.50 70.90 1d4t s THR 59 CO 0.09 0.00 1.49 -1.84 -0.54 0.00 0.00 174.62 173.82 1d4t n GLU 60 N -2.39 0.01 0.00 3.99 0.28 -1.26 -1.02 120.64 120.25 1d4t n GLU 60 Ca 0.09 0.23 0.13 0.00 -0.16 0.00 0.00 57.16 57.44 1d4t n GLU 60 Cb 0.60 -1.50 0.37 0.00 1.43 0.00 0.00 31.44 32.34 1d4t n GLU 60 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1d4t n THR 61 N -1.49 0.00 -0.08 3.84 -2.24 -1.26 -4.95 114.28 108.10 1d4t n THR 61 Ca 0.04 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1d4t n THR 61 Cb 0.18 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1d4t n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d4t n GLY 62 N 1.35 0.74 3.89 3.38 0.00 -0.19 -5.07 105.19 109.29 1d4t n GLY 62 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1d4t n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d4t s SER 63 N -2.67 5.83 0.04 1.61 1.04 -1.26 -4.71 113.70 113.58 1d4t s SER 63 Ca 0.00 1.07 0.09 0.00 0.48 0.00 0.00 55.95 57.59 1d4t s SER 63 Cb 0.00 -2.07 -0.03 0.00 0.10 0.00 0.00 66.02 64.02 1d4t s SER 63 CO 0.00 -1.02 -0.25 0.26 0.98 0.00 0.00 173.24 173.21 1d4t s TRP 64 N -3.12 2.35 0.07 5.02 0.52 0.40 -0.22 118.94 123.97 1d4t s TRP 64 Ca 0.54 -0.39 -0.14 0.00 0.02 0.00 0.00 56.10 56.13 1d4t s TRP 64 Cb -0.11 -1.41 0.02 0.00 -1.15 0.00 0.00 33.47 30.83 1d4t s TRP 64 CO 0.50 0.14 0.32 0.45 0.02 0.00 0.00 176.95 178.37 1d4t s SER 65 N -1.23 -0.13 0.07 2.95 0.15 -0.67 -0.65 113.70 114.19 1d4t s SER 65 Ca 0.12 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1d4t s SER 65 Cb -0.10 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.56 1d4t s SER 65 CO 0.02 -0.70 0.22 0.00 1.20 0.00 0.00 173.24 173.98 1d4t s ALA 66 N -3.08 4.00 0.12 5.45 0.00 -1.26 -1.47 121.76 125.53 1d4t s ALA 66 Ca -0.01 -0.87 -0.34 0.00 0.00 0.00 0.00 51.96 50.74 1d4t s ALA 66 Cb 0.01 -1.82 -0.13 0.00 0.00 0.00 0.00 23.12 21.17 1d4t s ALA 66 CO -0.07 0.79 1.64 -1.91 0.00 0.00 0.00 175.76 176.21 1d4t n GLU 67 N 0.18 2.19 -4.64 0.00 2.13 0.36 -4.90 120.64 115.96 1d4t n GLU 67 Ca -0.05 0.79 -0.25 0.00 0.66 0.00 0.00 57.16 58.31 1d4t n GLU 67 Cb 0.51 -2.58 -0.14 0.00 0.27 0.00 0.00 31.44 29.50 1d4t n GLU 67 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1d4t s THR 68 N 1.45 1.65 0.62 6.31 2.01 -1.26 -4.88 115.64 121.54 1d4t s THR 68 Ca 0.81 -1.18 -0.18 0.00 0.31 0.00 0.00 61.69 61.44 1d4t s THR 68 Cb -0.67 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 1d4t s THR 68 CO 0.40 0.20 1.27 0.00 -0.69 0.00 0.00 174.62 175.80 1d4t s ALA 69 N -0.80 2.45 0.28 7.40 0.00 -1.26 -4.91 121.76 124.93 1d4t s ALA 69 Ca 0.07 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1d4t s ALA 69 Cb -0.09 -3.52 -0.13 0.00 0.00 0.00 0.00 23.12 19.39 1d4t s ALA 69 CO 0.02 -1.44 1.45 -2.30 0.00 0.00 0.00 175.76 173.49 1d4t n PRO 70 N -1.76 2.29 -0.02 0.00 -0.02 -1.26 -2.14 135.00 132.09 1d4t n PRO 70 Ca 0.15 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1d4t n PRO 70 Cb 0.48 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1d4t n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d4t n GLY 71 N 1.83 2.35 3.79 -1.23 0.00 -1.26 -5.02 105.19 105.66 1d4t n GLY 71 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1d4t n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d4t s VAL 72 N -2.82 4.55 -0.16 1.61 1.01 -0.91 -4.99 120.40 118.70 1d4t s VAL 72 Ca 0.00 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 1d4t s VAL 72 Cb 0.00 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1d4t s VAL 72 CO 0.00 0.54 2.12 -2.28 0.00 0.00 0.00 175.10 175.48 1d4t s HIS 73 N -1.13 1.24 0.06 5.22 5.65 -1.26 -4.83 115.29 120.24 1d4t s HIS 73 Ca 0.32 0.29 -0.28 0.00 0.25 0.00 0.00 55.06 55.64 1d4t s HIS 73 Cb -0.21 -4.02 -0.05 0.00 -1.18 0.00 0.00 32.58 27.12 1d4t s HIS 73 CO 0.23 -4.39 0.87 0.21 -0.65 0.00 0.00 174.74 171.00 1d4t s LYS 74 N 5.79 4.58 -0.13 2.88 2.20 -1.26 -5.05 119.74 128.77 1d4t s LYS 74 Ca 0.96 1.25 -0.05 0.00 -0.36 0.00 0.00 55.97 57.77 1d4t s LYS 74 Cb -0.35 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 1d4t s LYS 74 CO 0.36 0.21 0.06 1.03 -0.36 0.00 0.00 175.35 176.66 1d4t s ARG 75 N 0.12 3.45 -0.03 4.03 0.52 -1.26 -5.10 118.95 120.68 1d4t s ARG 75 Ca 0.43 -0.30 0.06 0.00 -0.52 0.00 0.00 55.73 55.40 1d4t s ARG 75 Cb -0.22 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.18 1d4t s ARG 75 CO 0.26 0.58 -0.21 0.71 0.02 0.00 0.00 175.30 176.66 1d4t s TYR 76 N -0.51 2.48 0.02 -0.53 2.02 -1.26 -4.47 117.35 115.09 1d4t s TYR 76 Ca 0.10 -0.33 0.07 0.00 -0.37 0.00 0.00 57.07 56.54 1d4t s TYR 76 Cb -0.12 -1.55 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 1d4t s TYR 76 CO 0.02 0.05 -0.20 -0.06 -1.57 0.00 0.00 175.55 173.79 1d4t s PHE 77 N -0.66 1.77 0.27 2.71 0.40 0.18 -4.92 117.98 117.73 1d4t s PHE 77 Ca 0.11 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.09 1d4t s PHE 77 Cb -0.10 -1.10 0.37 0.00 0.51 0.00 0.00 43.02 42.70 1d4t s PHE 77 CO -0.00 0.03 1.71 -0.09 0.70 0.00 0.00 175.22 177.57 1d4t h ARG 78 N 5.24 0.56 -3.88 0.44 2.43 -1.90 0.11 114.38 117.39 1d4t h ARG 78 Ca -0.40 -0.21 -0.16 0.00 -0.81 0.00 0.00 59.98 58.40 1d4t h ARG 78 Cb 1.15 -0.04 -0.20 0.00 -0.42 0.00 0.00 29.97 30.46 1d4t h ARG 78 CO 0.46 0.74 -0.64 0.15 -1.51 0.00 0.00 179.97 179.17 1d4t s LYS 79 N -4.58 0.39 0.28 0.20 -0.14 -1.26 -4.57 119.74 110.06 1d4t s LYS 79 Ca -0.08 -0.62 0.00 0.00 -1.36 0.00 0.00 55.97 53.92 1d4t s LYS 79 Cb 0.14 0.15 0.52 0.00 -1.68 0.00 0.00 37.83 36.95 1d4t s LYS 79 CO 0.80 -0.08 1.84 0.82 -0.76 0.00 0.00 175.35 177.97 1d4t h ILE 80 N 4.38 0.95 -0.07 2.17 1.08 -1.96 -1.23 117.51 122.83 1d4t h ILE 80 Ca -0.32 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 63.78 1d4t h ILE 80 Cb 1.20 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 1d4t h ILE 80 CO 0.43 0.18 -0.07 0.07 -0.69 0.00 0.00 178.15 178.08 1d4t h LYS 81 N 1.01 0.10 -0.09 2.37 2.10 -1.96 -0.50 116.57 119.61 1d4t h LYS 81 Ca 0.48 -0.01 -0.16 0.00 -2.00 0.00 0.00 60.65 58.96 1d4t h LYS 81 Cb 0.43 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 1d4t h LYS 81 CO -0.25 0.18 -0.62 -0.91 -2.00 0.00 0.00 179.45 175.85 1d4t h ASN 82 N 0.10 0.37 -0.28 7.07 2.35 -1.64 -0.52 115.58 123.04 1d4t h ASN 82 Ca 0.02 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 1d4t h ASN 82 Cb 0.19 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1d4t h ASN 82 CO 0.01 0.90 0.13 0.25 -1.65 0.00 0.00 177.43 177.07 1d4t h LEU 83 N 0.24 0.37 -0.18 1.61 6.46 -1.02 -1.40 115.31 121.39 1d4t h LEU 83 Ca -0.01 -0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.62 1d4t h LEU 83 Cb 1.15 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.98 1d4t h LEU 83 CO 0.10 0.39 0.11 0.40 -0.62 0.00 0.00 178.44 178.83 1d4t h ILE 84 N 0.31 1.07 -0.88 4.05 1.08 -1.03 -1.98 117.51 120.13 1d4t h ILE 84 Ca 0.10 -0.16 0.07 0.00 -0.39 0.00 0.00 64.86 64.48 1d4t h ILE 84 Cb 0.12 0.85 -0.07 0.00 -3.07 0.00 0.00 36.82 34.66 1d4t h ILE 84 CO -0.01 0.06 0.55 -1.28 -0.69 0.00 0.00 178.15 176.78 1d4t h SER 85 N 0.22 0.84 -0.66 1.72 0.87 -0.99 -1.64 113.55 113.92 1d4t h SER 85 Ca 0.07 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1d4t h SER 85 Cb 0.01 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 1d4t h SER 85 CO -0.01 0.52 0.21 0.00 -0.53 0.00 0.00 176.83 177.02 1d4t h ALA 86 N 1.43 0.86 -0.07 6.23 0.00 -0.80 -2.87 119.26 124.03 1d4t h ALA 86 Ca 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1d4t h ALA 86 Cb 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1d4t h ALA 86 CO -0.19 0.53 0.00 1.19 0.00 0.00 0.00 179.25 180.77 1d4t n PHE 87 N -4.35 0.08 0.29 0.00 3.01 -0.78 -2.43 117.46 113.28 1d4t n PHE 87 Ca 0.04 -0.04 0.15 0.00 1.01 0.00 0.00 57.45 58.61 1d4t n PHE 87 Cb 0.21 0.00 0.46 0.00 -0.01 0.00 0.00 39.48 40.14 1d4t n PHE 87 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1d4t h GLN 88 N 1.30 0.00 -7.04 -1.08 4.20 -1.08 -1.49 115.11 109.92 1d4t h GLN 88 Ca 0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 1d4t h GLN 88 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1d4t h GLN 88 CO 0.00 0.00 0.28 0.15 -0.67 0.00 0.00 178.83 178.59 1d4t s LYS 89 N -3.43 3.95 0.51 1.46 1.02 -1.02 -4.60 119.74 117.64 1d4t s LYS 89 Ca 0.04 0.83 -0.22 0.00 0.02 0.00 0.00 55.97 56.64 1d4t s LYS 89 Cb 0.08 -2.23 -0.06 0.00 -0.52 0.00 0.00 37.83 35.09 1d4t s LYS 89 CO 0.58 -0.13 1.31 -2.14 -0.92 0.00 0.00 175.35 174.05 1d4t s PRO 90 N -3.77 3.36 -1.10 -1.68 0.02 -1.26 -4.20 135.00 126.36 1d4t s PRO 90 Ca 0.57 2.12 -0.06 0.00 0.02 0.00 0.00 61.00 63.65 1d4t s PRO 90 Cb -0.10 -2.33 -0.05 0.00 0.02 0.00 0.00 34.50 32.04 1d4t s PRO 90 CO 0.27 -0.98 0.92 -3.47 -0.33 0.00 0.00 177.00 173.41 1d4t n ASP 91 N -0.81 -5.32 -0.49 2.53 4.64 -1.26 -4.94 116.55 110.90 1d4t n ASP 91 Ca 0.09 -0.72 0.05 0.00 -1.38 0.00 0.00 54.79 52.83 1d4t n ASP 91 Cb 0.46 -5.01 0.09 0.00 -1.04 0.00 0.00 41.12 35.62 1d4t n ASP 91 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1d4t n GLN 92 N -3.54 1.70 -0.14 -0.67 1.13 -1.26 -4.99 117.38 109.61 1d4t n GLN 92 Ca -0.13 -1.57 0.00 0.00 -1.94 0.00 0.00 57.00 53.36 1d4t n GLN 92 Cb 0.63 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.76 1d4t n GLN 92 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1d4t n GLY 93 N 0.49 0.93 3.82 1.08 0.00 -1.26 -5.07 105.19 105.18 1d4t n GLY 93 Ca 0.08 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1d4t n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1d4t s ILE 94 N -2.00 2.39 0.30 -0.61 -4.36 -1.26 -5.04 121.20 110.61 1d4t s ILE 94 Ca 0.00 -1.51 0.01 0.00 -0.26 0.00 0.00 60.65 58.89 1d4t s ILE 94 Cb 0.00 -2.90 0.15 0.00 1.25 0.00 0.00 42.46 40.97 1d4t s ILE 94 CO 0.00 0.00 1.84 1.62 0.24 0.00 0.00 174.94 178.64 1d4t h VAL 95 N 1.16 1.21 -2.42 8.37 3.04 -1.97 -3.44 116.25 122.20 1d4t h VAL 95 Ca -0.41 -0.81 -0.08 0.00 -1.01 0.00 0.00 66.70 64.38 1d4t h VAL 95 Cb 1.26 0.79 -0.20 0.00 -2.01 0.00 0.00 31.29 31.14 1d4t h VAL 95 CO 0.63 0.29 -0.01 -0.51 -1.01 0.00 0.00 177.57 176.95 1d4t s ILE 96 N -5.10 0.02 0.62 3.17 2.07 -1.26 -5.10 121.20 115.62 1d4t s ILE 96 Ca -0.09 -0.16 -0.18 0.00 -1.41 0.00 0.00 60.65 58.82 1d4t s ILE 96 Cb 0.15 -0.83 -0.02 0.00 0.13 0.00 0.00 42.46 41.90 1d4t s ILE 96 CO 0.79 -0.09 1.18 -2.84 -1.91 0.00 0.00 174.94 172.07 1d4t s PRO 97 N -0.95 2.84 -0.29 3.50 0.02 -1.26 -4.92 135.00 133.94 1d4t s PRO 97 Ca -0.10 1.72 -0.29 0.00 0.02 0.00 0.00 61.00 62.35 1d4t s PRO 97 Cb -0.03 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 1d4t s PRO 97 CO 0.06 -1.28 1.72 -0.51 -0.33 0.00 0.00 177.00 176.66 1d4t s LEU 98 N -4.36 3.66 0.00 -5.54 1.43 -0.56 -4.60 118.68 108.71 1d4t s LEU 98 Ca 0.75 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 1d4t s LEU 98 Cb -0.28 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1d4t s LEU 98 CO 0.36 -1.52 0.00 0.00 0.23 0.00 0.00 176.35 175.42 1d4t n GLN 99 N 8.12 0.83 -3.82 1.70 6.02 -0.41 -4.40 117.38 125.43 1d4t n GLN 99 Ca 0.21 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.91 1d4t n GLN 99 Cb 0.46 -0.88 -0.13 0.00 1.02 0.00 0.00 30.24 30.71 1d4t n GLN 99 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1d4t s TYR 100 N -1.76 2.60 0.27 1.08 1.51 -0.48 -4.98 117.35 115.58 1d4t s TYR 100 Ca 0.00 -2.82 -0.30 0.00 -1.01 0.00 0.00 57.07 52.94 1d4t s TYR 100 Cb 0.00 -2.31 -0.10 0.00 -0.11 0.00 0.00 41.96 39.43 1d4t s TYR 100 CO 0.00 -0.74 1.45 -1.25 -1.11 0.00 0.00 175.55 173.90 1d4t s PRO 101 N -0.11 4.25 -0.53 -1.71 0.04 -1.26 -1.76 135.00 133.93 1d4t s PRO 101 Ca 0.19 2.34 -0.16 0.00 0.04 0.00 0.00 61.00 63.40 1d4t s PRO 101 Cb -0.22 -3.09 0.11 0.00 0.04 0.00 0.00 34.50 31.34 1d4t s PRO 101 CO -0.02 -0.43 0.50 0.08 0.04 0.00 0.00 177.00 177.16 1d4t s VAL 102 N -0.14 5.17 0.15 -0.36 1.01 -0.31 -4.87 120.40 121.04 1d4t s VAL 102 Ca 0.59 -1.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.00 1d4t s VAL 102 Cb -0.43 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 31.58 1d4t s VAL 102 CO 0.45 -0.82 0.85 -1.61 0.00 0.00 0.00 175.10 173.97 1d4t s GLU 103 N 1.76 4.65 0.00 2.72 2.02 -1.26 -4.44 118.70 124.15 1d4t s GLU 103 Ca 0.05 1.27 0.00 0.00 0.02 0.00 0.00 54.97 56.31 1d4t s GLU 103 Cb -0.27 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.65 1d4t s GLU 103 CO 0.05 0.45 0.45 0.36 0.02 0.00 0.00 175.26 176.59