#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jap s SER 3 N 0.00 1.68 0.27 2.55 0.01 -1.26 -4.80 113.70 112.15 2jap s SER 3 Ca 0.00 -1.94 0.24 0.00 1.31 0.00 0.00 55.95 55.56 2jap s SER 3 Cb 0.00 0.20 0.98 0.00 0.21 0.00 0.00 66.02 67.41 2jap s SER 3 CO 0.00 -0.26 1.73 0.00 0.41 0.00 0.00 173.24 175.12 2jap n ALA 4 N 3.98 1.73 -1.31 1.44 0.00 -1.15 -3.35 120.51 121.85 2jap n ALA 4 Ca 0.14 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.74 2jap n ALA 4 Cb 0.43 -1.41 0.15 0.00 0.00 0.00 0.00 19.45 18.62 2jap n ALA 4 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jap n LEU 5 N -2.28 2.29 -4.66 0.00 4.77 -0.10 -5.02 117.00 111.99 2jap n LEU 5 Ca 0.02 -3.18 -0.46 0.00 -0.03 0.00 0.00 56.01 52.36 2jap n LEU 5 Cb 0.26 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 2jap n LEU 5 CO 0.21 0.88 1.07 1.67 -1.33 0.00 0.00 177.39 179.90 2jap n GLN 6 N -1.21 1.94 -0.94 3.23 -0.06 -1.15 -1.48 117.38 117.70 2jap n GLN 6 Ca 0.16 0.70 0.00 0.00 -2.00 0.00 0.00 57.00 55.85 2jap n GLN 6 Cb 0.67 -2.40 0.00 0.00 -4.06 0.00 0.00 30.24 24.45 2jap n GLN 6 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jap n GLY 7 N 2.82 0.81 3.90 1.69 0.00 -1.23 -4.96 105.19 108.21 2jap n GLY 7 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2jap n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jap s LYS 8 N -0.15 3.68 -0.16 1.61 -0.14 -0.55 -4.94 119.74 119.08 2jap s LYS 8 Ca 0.00 0.15 -0.00 0.00 -1.36 0.00 0.00 55.97 54.75 2jap s LYS 8 Cb 0.00 -2.57 -0.00 0.00 -1.68 0.00 0.00 37.83 33.58 2jap s LYS 8 CO 0.00 0.13 -0.14 0.08 -0.76 0.00 0.00 175.35 174.66 2jap s VAL 9 N -2.18 2.77 -0.11 3.17 1.01 -1.26 -0.49 120.40 123.31 2jap s VAL 9 Ca 0.46 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2jap s VAL 9 Cb -0.11 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2jap s VAL 9 CO 0.30 0.51 -0.18 0.00 0.00 0.00 0.00 175.10 175.73 2jap s ALA 10 N 0.79 2.40 -0.24 5.51 0.00 0.45 -0.81 121.76 129.86 2jap s ALA 10 Ca -0.05 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 50.90 2jap s ALA 10 Cb -0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 2jap s ALA 10 CO 0.00 0.29 0.06 -1.17 0.00 0.00 0.00 175.76 174.94 2jap s LEU 11 N 0.28 3.44 -0.22 0.00 2.96 0.39 -0.49 118.68 125.05 2jap s LEU 11 Ca -0.13 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2jap s LEU 11 Cb -0.17 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.63 2jap s LEU 11 CO 0.07 -0.01 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.34 2jap s ILE 12 N 1.49 2.51 0.33 6.68 1.09 -0.13 -0.33 121.20 132.85 2jap s ILE 12 Ca 0.06 -1.01 -0.10 0.00 -1.10 0.00 0.00 60.65 58.49 2jap s ILE 12 Cb -0.15 -2.21 -0.07 0.00 -1.06 0.00 0.00 42.46 38.97 2jap s ILE 12 CO 0.03 0.33 0.68 0.42 -0.10 0.00 0.00 174.94 176.30 2jap s THR 13 N 1.30 4.83 -0.90 2.92 -4.23 -0.61 -1.26 115.64 117.69 2jap s THR 13 Ca 0.01 0.57 -0.05 0.00 -1.18 0.00 0.00 61.69 61.04 2jap s THR 13 Cb -0.15 -3.68 0.01 0.00 1.34 0.00 0.00 72.50 70.01 2jap s THR 13 CO -0.08 -0.33 0.78 0.61 -0.54 0.00 0.00 174.62 175.07 2jap n GLY 14 N -0.82 -0.05 0.17 3.99 0.00 0.35 -2.58 105.19 106.25 2jap n GLY 14 Ca 0.02 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.11 2jap n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jap n ALA 15 N -4.08 3.12 0.54 4.61 0.00 -0.81 -3.64 120.51 120.25 2jap n ALA 15 Ca -0.01 -0.37 0.13 0.00 0.00 0.00 0.00 53.44 53.19 2jap n ALA 15 Cb 0.55 -1.17 0.43 0.00 0.00 0.00 0.00 19.45 19.26 2jap n ALA 15 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jap h SER 16 N 0.83 0.00 -5.04 0.00 4.64 -1.90 -3.20 113.55 108.88 2jap h SER 16 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2jap h SER 16 Cb 0.48 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2jap h SER 16 CO 0.00 0.00 0.28 -0.94 -0.87 0.00 0.00 176.83 175.30 2jap s SER 17 N -4.52 -0.09 1.13 4.97 1.04 -1.26 -4.78 113.70 110.18 2jap s SER 17 Ca 0.08 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2jap s SER 17 Cb 0.11 0.78 0.00 0.00 0.10 0.00 0.00 66.02 67.01 2jap s SER 17 CO 0.54 -1.50 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2jap n GLY 18 N -0.51 2.98 0.33 7.32 0.00 -1.26 -2.37 105.19 111.67 2jap n GLY 18 Ca -0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 2jap n GLY 18 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jap h ILE 19 N 0.00 1.22 -0.57 -0.61 2.04 -1.88 -2.45 117.51 115.26 2jap h ILE 19 Ca 0.00 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.34 2jap h ILE 19 Cb 0.00 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 2jap h ILE 19 CO 0.00 0.22 0.03 1.23 0.00 0.00 0.00 178.15 179.63 2jap h GLY 20 N 1.15 1.04 0.90 5.37 0.00 -1.61 0.18 103.07 110.11 2jap h GLY 20 Ca 0.31 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 2jap h GLY 20 CO -0.06 0.66 0.02 -2.09 0.00 0.00 0.00 176.54 175.07 2jap h GLU 21 N 0.90 0.07 -0.89 4.80 4.81 -1.29 -0.66 114.58 122.32 2jap h GLU 21 Ca 0.17 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2jap h GLU 21 Cb 0.48 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 2jap h GLU 21 CO 0.02 0.16 0.48 0.00 -0.73 0.00 0.00 179.01 178.94 2jap h ALA 22 N 0.91 1.15 -0.38 2.92 0.00 -1.26 -1.99 119.26 120.61 2jap h ALA 22 Ca 0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2jap h ALA 22 Cb 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2jap h ALA 22 CO -0.00 0.66 0.01 1.15 0.00 0.00 0.00 179.25 181.07 2jap h THR 23 N 1.25 1.26 -0.71 0.00 2.02 -0.85 -0.62 112.91 115.27 2jap h THR 23 Ca 0.31 -0.99 0.01 0.00 0.77 0.00 0.00 66.41 66.52 2jap h THR 23 Cb 0.04 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 2jap h THR 23 CO -0.05 0.33 0.47 0.00 0.37 0.00 0.00 175.52 176.64 2jap h ALA 24 N 0.88 0.91 -0.50 6.16 0.00 -0.96 -0.60 119.26 125.16 2jap h ALA 24 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jap h ALA 24 Cb 0.46 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2jap h ALA 24 CO 0.02 0.29 0.30 0.00 0.00 0.00 0.00 179.25 179.86 2jap h ARG 25 N 0.94 0.68 -0.55 0.00 3.08 -1.19 -1.79 114.38 115.55 2jap h ARG 25 Ca 0.27 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 2jap h ARG 25 Cb -0.07 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 2jap h ARG 25 CO -0.07 0.49 0.17 0.00 -1.07 0.00 0.00 179.97 179.49 2jap h ALA 26 N 1.14 0.72 -0.28 0.04 0.00 -0.63 -0.44 119.26 119.81 2jap h ALA 26 Ca 0.18 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2jap h ALA 26 Cb -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2jap h ALA 26 CO -0.03 0.38 -0.26 -0.07 0.00 0.00 0.00 179.25 179.26 2jap h LEU 27 N 0.76 0.72 -1.04 0.00 3.38 -1.10 -2.64 115.31 115.39 2jap h LEU 27 Ca 0.18 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.72 2jap h LEU 27 Cb 0.28 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2jap h LEU 27 CO -0.01 1.04 0.64 0.00 0.09 0.00 0.00 178.44 180.21 2jap h ALA 28 N 0.71 1.36 0.00 1.53 0.00 -1.21 -1.57 119.26 120.07 2jap h ALA 28 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2jap h ALA 28 Cb 0.83 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2jap h ALA 28 CO 0.07 0.55 -0.13 0.00 0.00 0.00 0.00 179.25 179.74 2jap h ALA 29 N 1.42 1.33 -0.07 0.00 0.00 -0.85 -0.88 119.26 120.22 2jap h ALA 29 Ca 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2jap h ALA 29 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jap h ALA 29 CO -0.12 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.68 2jap n GLU 30 N -3.72 1.52 -0.06 0.00 -0.58 -0.65 -4.83 120.64 112.33 2jap n GLU 30 Ca -0.02 -0.77 0.00 0.00 -0.42 0.00 0.00 57.16 55.95 2jap n GLU 30 Cb 0.24 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 2jap n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jap n GLY 31 N 1.09 0.75 3.76 0.62 0.00 -0.33 -0.92 105.19 110.15 2jap n GLY 31 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2jap n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jap s ALA 32 N -2.05 3.33 0.20 4.61 0.00 -0.83 -3.56 121.76 123.45 2jap s ALA 32 Ca 0.00 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 2jap s ALA 32 Cb 0.00 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 2jap s ALA 32 CO 0.00 0.10 1.11 0.00 0.00 0.00 0.00 175.76 176.96 2jap s ALA 33 N -1.25 3.38 -0.14 0.00 0.00 0.35 -4.10 121.76 119.99 2jap s ALA 33 Ca 0.44 0.84 0.02 0.00 0.00 0.00 0.00 51.96 53.25 2jap s ALA 33 Cb -0.26 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.52 2jap s ALA 33 CO 0.33 -0.21 -0.20 0.14 0.00 0.00 0.00 175.76 175.82 2jap s VAL 34 N -0.38 1.93 -0.28 0.00 -7.23 -0.10 -0.41 120.40 113.93 2jap s VAL 34 Ca 0.49 -0.89 -0.16 0.00 -1.81 0.00 0.00 61.98 59.60 2jap s VAL 34 Cb -0.30 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 2jap s VAL 34 CO 0.36 0.52 0.44 0.00 -0.31 0.00 0.00 175.10 176.11 2jap s ALA 35 N 1.00 3.56 -0.22 1.32 0.00 0.36 -1.26 121.76 126.52 2jap s ALA 35 Ca -0.03 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.08 2jap s ALA 35 Cb -0.15 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 2jap s ALA 35 CO -0.05 -0.78 0.02 0.96 0.00 0.00 0.00 175.76 175.90 2jap s ILE 36 N 2.19 4.00 -0.06 0.00 -4.36 -0.14 -0.96 121.20 121.88 2jap s ILE 36 Ca 0.17 -0.29 0.05 0.00 -0.26 0.00 0.00 60.65 60.32 2jap s ILE 36 Cb -0.16 -2.83 -0.00 0.00 1.25 0.00 0.00 42.46 40.72 2jap s ILE 36 CO 0.10 0.40 -0.20 0.00 0.24 0.00 0.00 174.94 175.49 2jap s ALA 37 N 1.24 1.75 -0.01 2.27 0.00 -0.39 -0.69 121.76 125.92 2jap s ALA 37 Ca 0.04 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 51.04 2jap s ALA 37 Cb -0.15 -0.60 0.05 0.00 0.00 0.00 0.00 23.12 22.43 2jap s ALA 37 CO 0.02 0.30 0.75 0.00 0.00 0.00 0.00 175.76 176.82 2jap n ALA 38 N 3.21 -2.11 -0.00 0.00 0.00 -0.97 -0.49 120.51 120.14 2jap n ALA 38 Ca -0.19 -0.47 -0.18 0.00 0.00 0.00 0.00 53.44 52.61 2jap n ALA 38 Cb 0.53 0.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.92 2jap n ALA 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jap n ARG 39 N -0.54 0.72 -2.48 0.00 1.74 -1.21 -0.86 116.66 114.04 2jap n ARG 39 Ca 0.03 0.27 -0.39 0.00 -0.77 0.00 0.00 57.85 56.99 2jap n ARG 39 Cb 0.34 -1.73 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 2jap n ARG 39 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2jap s ARG 40 N -2.57 3.41 0.26 5.56 0.52 -1.26 -4.84 118.95 120.04 2jap s ARG 40 Ca -0.17 -0.95 -0.02 0.00 -0.52 0.00 0.00 55.73 54.07 2jap s ARG 40 Cb 0.07 -5.26 0.34 0.00 0.52 0.00 0.00 34.95 30.62 2jap s ARG 40 CO 0.78 -2.39 1.76 0.28 0.02 0.00 0.00 175.30 175.75 2jap h VAL 41 N 6.84 1.24 -0.63 3.52 2.07 -1.96 -2.55 116.25 124.79 2jap h VAL 41 Ca 0.16 -1.01 0.11 0.00 0.82 0.00 0.00 66.70 66.78 2jap h VAL 41 Cb 1.01 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 2jap h VAL 41 CO 1.39 0.35 0.21 -0.33 0.02 0.00 0.00 177.57 179.22 2jap h GLU 42 N 0.72 0.37 -0.37 1.57 3.07 -1.99 0.18 114.58 118.12 2jap h GLU 42 Ca 0.14 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.83 2jap h GLU 42 Cb 0.46 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2jap h GLU 42 CO 0.02 0.24 -0.35 0.87 -1.40 0.00 0.00 179.01 178.39 2jap h LYS 43 N 0.38 0.85 -0.66 2.33 1.57 -1.85 -2.19 116.57 117.00 2jap h LYS 43 Ca 0.33 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2jap h LYS 43 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 2jap h LYS 43 CO -0.35 1.07 0.41 -0.07 -0.57 0.00 0.00 179.45 179.94 2jap h LEU 44 N 0.71 0.78 -0.58 2.94 3.38 -0.99 -1.75 115.31 119.79 2jap h LEU 44 Ca 0.07 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2jap h LEU 44 Cb 0.92 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2jap h LEU 44 CO 0.09 0.59 0.26 0.03 0.09 0.00 0.00 178.44 179.50 2jap h ARG 45 N 0.89 0.86 -0.38 1.13 2.47 -0.56 0.29 114.38 119.08 2jap h ARG 45 Ca 0.24 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 2jap h ARG 45 Cb -0.05 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.10 2jap h ARG 45 CO -0.05 0.72 0.22 0.00 0.56 0.00 0.00 179.97 181.42 2jap h ALA 46 N 1.10 0.48 -0.45 0.04 0.00 -1.25 0.10 119.26 119.28 2jap h ALA 46 Ca 0.20 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2jap h ALA 46 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2jap h ALA 46 CO -0.02 -0.02 0.09 1.25 0.00 0.00 0.00 179.25 180.55 2jap h LEU 47 N 0.49 0.70 -0.82 0.00 5.85 -1.12 -2.34 115.31 118.06 2jap h LEU 47 Ca 0.13 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.63 2jap h LEU 47 Cb 0.02 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 2jap h LEU 47 CO -0.02 0.77 0.53 1.23 -0.34 0.00 0.00 178.44 180.61 2jap h GLY 48 N 0.60 1.17 0.91 3.75 0.00 -0.14 0.05 103.07 109.41 2jap h GLY 48 Ca 0.14 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.07 2jap h GLY 48 CO 0.01 0.37 0.10 -0.55 0.00 0.00 0.00 176.54 176.47 2jap h ASP 49 N 1.06 0.15 0.00 0.19 3.32 -0.74 -0.11 116.42 120.29 2jap h ASP 49 Ca 0.32 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.39 2jap h ASP 49 Cb -0.04 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2jap h ASP 49 CO -0.09 0.12 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.35 2jap h GLU 50 N 0.21 -0.18 -0.38 3.56 4.81 -0.84 0.10 114.58 121.86 2jap h GLU 50 Ca 0.08 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2jap h GLU 50 Cb 0.02 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2jap h GLU 50 CO -0.06 -0.12 0.04 -0.07 -0.73 0.00 0.00 179.01 178.08 2jap h LEU 51 N -0.19 0.62 -0.86 1.64 3.38 -0.94 -1.71 115.31 117.25 2jap h LEU 51 Ca 0.04 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.76 2jap h LEU 51 Cb 0.24 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2jap h LEU 51 CO -0.11 0.74 0.56 0.74 0.09 0.00 0.00 178.44 180.45 2jap h THR 52 N 0.48 1.16 0.00 0.22 2.02 -0.94 -0.16 112.91 115.69 2jap h THR 52 Ca 0.11 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 2jap h THR 52 Cb 0.39 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2jap h THR 52 CO 0.01 0.20 -0.16 0.00 0.37 0.00 0.00 175.52 175.94 2jap h ALA 53 N 1.34 1.20 -0.18 6.16 0.00 -0.72 -1.88 119.26 125.18 2jap h ALA 53 Ca 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jap h ALA 53 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jap h ALA 53 CO -0.10 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.35 2jap n ALA 54 N -2.27 2.51 -0.30 0.00 0.00 -0.67 -4.91 120.51 114.87 2jap n ALA 54 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2jap n ALA 54 Cb 0.30 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2jap n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jap n GLY 55 N 1.01 0.80 3.89 0.00 0.00 -0.71 -5.06 105.19 105.12 2jap n GLY 55 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2jap n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jap s ALA 56 N -2.14 3.41 -0.29 4.61 0.00 -0.15 -4.98 121.76 122.22 2jap s ALA 56 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.41 2jap s ALA 56 Cb 0.00 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 2jap s ALA 56 CO 0.00 -0.13 0.41 0.21 0.00 0.00 0.00 175.76 176.25 2jap s LYS 57 N -4.22 3.93 -0.03 0.00 2.20 -1.26 -4.07 119.74 116.28 2jap s LYS 57 Ca 0.48 0.01 0.05 0.00 -0.36 0.00 0.00 55.97 56.16 2jap s LYS 57 Cb -0.10 -3.69 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 2jap s LYS 57 CO 0.37 -0.36 -0.18 0.08 -0.36 0.00 0.00 175.35 174.90 2jap s VAL 58 N 2.15 1.46 -0.20 4.02 1.01 -1.26 -0.92 120.40 126.66 2jap s VAL 58 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2jap s VAL 58 Cb -0.16 -1.24 0.05 0.00 0.00 0.00 0.00 36.38 35.03 2jap s VAL 58 CO 0.10 0.42 -0.08 -2.28 0.00 0.00 0.00 175.10 173.27 2jap s HIS 59 N -0.18 2.18 -0.13 5.22 5.04 -0.39 -4.99 115.29 122.04 2jap s HIS 59 Ca 0.01 -1.46 -0.22 0.00 -1.54 0.00 0.00 55.06 51.86 2jap s HIS 59 Cb -0.10 -1.52 -0.03 0.00 0.04 0.00 0.00 32.58 30.97 2jap s HIS 59 CO 0.01 -0.71 0.64 0.08 -2.34 0.00 0.00 174.74 172.42 2jap s VAL 60 N 1.47 5.06 -0.21 0.89 1.01 -1.26 -0.97 120.40 126.39 2jap s VAL 60 Ca -0.02 1.27 0.01 0.00 0.00 0.00 0.00 61.98 63.24 2jap s VAL 60 Cb -0.16 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.30 2jap s VAL 60 CO -0.08 0.21 -0.09 -0.76 0.00 0.00 0.00 175.10 174.38 2jap s LEU 61 N 1.21 2.40 -0.29 3.92 1.43 0.13 -4.95 118.68 122.54 2jap s LEU 61 Ca 0.32 -0.98 -0.29 0.00 -1.03 0.00 0.00 54.13 52.15 2jap s LEU 61 Cb -0.16 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.83 2jap s LEU 61 CO 0.14 -0.17 1.26 -0.70 0.23 0.00 0.00 176.35 177.10 2jap s GLU 62 N 1.39 3.97 -0.13 1.70 2.12 -1.26 -2.30 118.70 124.19 2jap s GLU 62 Ca -0.03 1.25 -0.08 0.00 0.36 0.00 0.00 54.97 56.48 2jap s GLU 62 Cb -0.17 -3.84 0.05 0.00 0.26 0.00 0.00 34.13 30.42 2jap s GLU 62 CO -0.07 -1.04 0.32 -1.17 -0.54 0.00 0.00 175.26 172.75 2jap s LEU 63 N 4.16 0.31 -0.33 2.70 2.96 -0.04 -4.92 118.68 123.52 2jap s LEU 63 Ca 0.54 0.68 -0.14 0.00 -0.22 0.00 0.00 54.13 54.99 2jap s LEU 63 Cb -0.16 1.02 -0.02 0.00 0.50 0.00 0.00 46.19 47.53 2jap s LEU 63 CO 0.21 -0.16 0.30 -0.62 -1.32 0.00 0.00 176.35 174.76 2jap s ASP 64 N 1.09 6.13 0.58 3.68 -1.08 -1.26 -3.30 116.67 122.50 2jap s ASP 64 Ca -0.07 -0.24 0.35 0.00 -0.52 0.00 0.00 52.55 52.06 2jap s ASP 64 Cb -0.08 -2.17 1.73 0.00 -1.46 0.00 0.00 42.92 40.94 2jap s ASP 64 CO -0.08 -0.26 2.14 -0.37 0.52 0.00 0.00 175.17 177.11 2jap h VAL 65 N 5.49 0.21 0.00 1.11 -1.51 -1.94 -1.54 116.25 118.08 2jap h VAL 65 Ca -0.31 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 2jap h VAL 65 Cb 1.15 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 2jap h VAL 65 CO 0.65 0.04 0.00 0.00 -1.23 0.00 0.00 177.57 177.04 2jap n ALA 66 N -2.16 1.81 -2.88 5.19 0.00 -1.26 -4.16 120.51 117.05 2jap n ALA 66 Ca -0.01 0.06 -0.44 0.00 0.00 0.00 0.00 53.44 53.05 2jap n ALA 66 Cb 0.21 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 2jap n ALA 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jap s ASP 67 N -4.30 6.20 0.18 0.00 2.15 -0.58 -4.90 116.67 115.43 2jap s ASP 67 Ca 0.06 -1.01 -0.14 0.00 0.43 0.00 0.00 52.55 51.88 2jap s ASP 67 Cb 0.10 -2.37 0.16 0.00 -0.30 0.00 0.00 42.92 40.51 2jap s ASP 67 CO 0.44 -1.24 1.70 -0.09 -0.17 0.00 0.00 175.17 175.80 2jap h ARG 68 N 9.34 0.13 -0.60 4.34 2.43 -1.85 0.11 114.38 128.29 2jap h ARG 68 Ca -0.28 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.78 2jap h ARG 68 Cb 1.08 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 2jap h ARG 68 CO 1.12 0.09 -0.01 1.96 -1.51 0.00 0.00 179.97 181.62 2jap h GLN 69 N 0.14 1.05 -0.74 0.20 4.20 -1.96 -2.45 115.11 115.55 2jap h GLN 69 Ca 0.23 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 2jap h GLN 69 Cb 0.33 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2jap h GLN 69 CO -0.36 1.03 0.25 0.78 -0.67 0.00 0.00 178.83 179.85 2jap h GLY 70 N 0.99 1.22 0.80 3.46 0.00 -1.68 -2.11 103.07 105.76 2jap h GLY 70 Ca 0.17 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 2jap h GLY 70 CO 0.03 0.66 -0.21 -2.08 0.00 0.00 0.00 176.54 174.94 2jap h VAL 71 N 1.10 0.55 -0.65 4.60 2.07 -0.59 -0.68 116.25 122.65 2jap h VAL 71 Ca 0.24 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.84 2jap h VAL 71 Cb 0.28 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 2jap h VAL 71 CO -0.01 0.00 0.32 0.44 0.02 0.00 0.00 177.57 178.34 2jap h ASP 72 N -0.48 0.43 -0.58 0.57 3.32 -1.31 -1.70 116.42 116.67 2jap h ASP 72 Ca -0.01 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 2jap h ASP 72 Cb 0.43 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 2jap h ASP 72 CO -0.02 0.26 0.01 0.00 -1.72 0.00 0.00 179.24 177.77 2jap h ALA 73 N 1.39 0.78 -0.66 3.45 0.00 -1.28 -2.24 119.26 120.69 2jap h ALA 73 Ca 0.31 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2jap h ALA 73 Cb 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2jap h ALA 73 CO -0.24 0.60 0.26 0.00 0.00 0.00 0.00 179.25 179.87 2jap h ALA 74 N 0.98 0.85 -0.30 0.00 0.00 -0.52 0.11 119.26 120.38 2jap h ALA 74 Ca 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jap h ALA 74 Cb 0.53 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2jap h ALA 74 CO 0.03 0.48 0.07 0.28 0.00 0.00 0.00 179.25 180.10 2jap h VAL 75 N 0.93 1.22 -0.89 0.00 2.07 -1.32 -2.13 116.25 116.12 2jap h VAL 75 Ca 0.22 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2jap h VAL 75 Cb 0.21 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2jap h VAL 75 CO -0.02 0.24 0.50 0.00 0.02 0.00 0.00 177.57 178.31 2jap h ALA 76 N 0.90 1.14 -0.68 1.67 0.00 -1.19 -1.98 119.26 119.13 2jap h ALA 76 Ca 0.09 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2jap h ALA 76 Cb 0.30 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2jap h ALA 76 CO 0.00 0.64 0.17 1.03 0.00 0.00 0.00 179.25 181.09 2jap h SER 77 N 1.24 1.02 -0.06 0.00 0.87 -0.74 -1.37 113.55 114.51 2jap h SER 77 Ca 0.31 -0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2jap h SER 77 Cb 0.02 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 2jap h SER 77 CO -0.05 0.99 0.03 0.74 -0.53 0.00 0.00 176.83 178.00 2jap h THR 78 N 1.01 1.13 -0.36 2.23 2.02 -1.03 -0.12 112.91 117.78 2jap h THR 78 Ca 0.21 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 2jap h THR 78 Cb 0.36 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2jap h THR 78 CO 0.00 0.11 -0.18 0.58 0.37 0.00 0.00 175.52 176.40 2jap h VAL 79 N -0.05 1.26 -0.28 3.16 2.07 -1.34 0.10 116.25 121.17 2jap h VAL 79 Ca 0.02 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 2jap h VAL 79 Cb 0.15 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2jap h VAL 79 CO -0.00 0.41 0.02 -0.08 0.02 0.00 0.00 177.57 177.93 2jap h GLU 80 N 0.59 0.48 0.07 1.57 4.81 -1.16 -0.16 114.58 120.78 2jap h GLU 80 Ca 0.09 -0.14 -0.24 0.00 -0.13 0.00 0.00 59.36 58.94 2jap h GLU 80 Cb 0.64 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 2jap h GLU 80 CO 0.04 0.62 -1.09 0.00 -0.73 0.00 0.00 179.01 177.85 2jap h ALA 81 N 0.85 0.25 -0.00 2.92 0.00 -0.83 -3.37 119.26 119.07 2jap h ALA 81 Ca 0.08 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2jap h ALA 81 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jap h ALA 81 CO 0.01 0.96 -0.08 1.28 0.00 0.00 0.00 179.25 181.43 2jap n LEU 82 N -3.57 1.05 0.00 0.00 4.77 0.34 -5.03 117.00 114.56 2jap n LEU 82 Ca -0.06 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 2jap n LEU 82 Cb 0.94 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 2jap n LEU 82 CO 0.51 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2jap n GLY 83 N 0.58 0.51 0.00 -0.72 0.00 -0.08 -4.94 105.19 100.54 2jap n GLY 83 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2jap n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jap n GLY 84 N -2.00 -1.39 2.91 -0.02 0.00 -1.20 -4.96 105.19 98.54 2jap n GLY 84 Ca 0.00 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 2jap n GLY 84 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jap s LEU 85 N 0.00 -0.05 -0.08 0.99 2.96 -1.26 -4.36 118.68 116.88 2jap s LEU 85 Ca 0.00 0.43 0.06 0.00 -0.22 0.00 0.00 54.13 54.40 2jap s LEU 85 Cb 0.00 0.45 -0.10 0.00 0.50 0.00 0.00 46.19 47.05 2jap s LEU 85 CO 0.00 -0.23 0.01 0.47 -1.32 0.00 0.00 176.35 175.28 2jap n ASP 86 N 5.16 3.01 -3.78 3.68 8.00 0.01 -4.12 116.55 128.51 2jap n ASP 86 Ca -0.08 -0.01 -0.18 0.00 0.71 0.00 0.00 54.79 55.23 2jap n ASP 86 Cb 0.50 0.59 -0.17 0.00 -0.02 0.00 0.00 41.12 42.02 2jap n ASP 86 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jap s ILE 87 N -2.20 0.12 -0.18 0.53 1.01 -0.46 -0.55 121.20 119.48 2jap s ILE 87 Ca -0.05 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 2jap s ILE 87 Cb 0.03 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.22 2jap s ILE 87 CO 0.32 0.16 -0.06 -0.22 0.00 0.00 0.00 174.94 175.14 2jap s LEU 88 N 1.36 2.99 -0.36 2.97 2.96 -0.25 -0.46 118.68 127.89 2jap s LEU 88 Ca -0.05 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.53 2jap s LEU 88 Cb -0.13 -1.73 0.06 0.00 0.50 0.00 0.00 46.19 44.89 2jap s LEU 88 CO -0.03 0.09 0.13 -0.69 -1.32 0.00 0.00 176.35 174.54 2jap s VAL 89 N 0.82 3.59 -1.18 1.68 1.01 0.56 0.31 120.40 127.18 2jap s VAL 89 Ca -0.02 -1.42 -0.18 0.00 0.00 0.00 0.00 61.98 60.36 2jap s VAL 89 Cb -0.15 -3.16 0.11 0.00 0.00 0.00 0.00 36.38 33.18 2jap s VAL 89 CO 0.01 -0.33 1.52 0.20 0.00 0.00 0.00 175.10 176.51 2jap s ASN 90 N 1.60 6.83 -0.09 3.32 0.01 0.37 -1.58 114.94 125.39 2jap s ASN 90 Ca 0.00 -2.41 0.12 0.00 -0.71 0.00 0.00 52.86 49.86 2jap s ASN 90 Cb -0.21 -2.50 -0.17 0.00 0.41 0.00 0.00 41.25 38.78 2jap s ASN 90 CO 0.00 -1.08 0.12 -3.20 -1.51 0.00 0.00 177.10 171.43 2jap n ASN 91 N 7.39 1.87 -4.57 -1.22 2.85 -1.23 -1.55 115.26 118.81 2jap n ASN 91 Ca 0.40 0.00 -0.54 0.00 -0.11 0.00 0.00 54.58 54.33 2jap n ASN 91 Cb 0.46 1.04 -0.06 0.00 1.24 0.00 0.00 39.78 42.46 2jap n ASN 91 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jap n ALA 92 N -2.33 -1.63 -3.61 5.20 0.00 -1.06 -4.77 120.51 112.30 2jap n ALA 92 Ca -0.15 0.53 -0.04 0.00 0.00 0.00 0.00 53.44 53.78 2jap n ALA 92 Cb 0.75 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 2jap n ALA 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jap s GLY 93 N 0.33 -0.23 0.02 0.00 0.00 -1.26 -4.59 107.32 101.59 2jap s GLY 93 Ca 0.85 1.81 0.01 0.00 0.00 0.00 0.00 44.72 47.40 2jap s GLY 93 CO 0.50 0.64 -0.06 -0.26 0.00 0.00 0.00 173.10 173.92 2jap s ILE 94 N -2.14 0.38 -0.31 0.90 -4.36 -1.26 -5.03 121.20 109.38 2jap s ILE 94 Ca 0.09 -0.75 0.03 0.00 -0.26 0.00 0.00 60.65 59.76 2jap s ILE 94 Cb -0.01 -0.42 0.09 0.00 1.25 0.00 0.00 42.46 43.36 2jap s ILE 94 CO -0.04 -0.25 0.02 -0.32 0.24 0.00 0.00 174.94 174.58 2jap s MET 95 N -1.07 1.48 -0.48 0.37 1.75 -1.26 -4.84 119.30 115.25 2jap s MET 95 Ca -0.07 -1.54 -0.06 0.00 -1.25 0.00 0.00 55.69 52.76 2jap s MET 95 Cb -0.07 -2.87 0.12 0.00 2.84 0.00 0.00 34.83 34.86 2jap s MET 95 CO -0.00 -0.85 0.32 -0.51 -0.65 0.00 0.00 175.02 173.33 2jap s LEU 96 N 1.12 5.53 0.32 4.11 1.43 -1.26 -4.06 118.68 125.87 2jap s LEU 96 Ca 0.05 -2.09 -0.07 0.00 -1.03 0.00 0.00 54.13 50.99 2jap s LEU 96 Cb -0.19 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.04 2jap s LEU 96 CO -0.10 -0.60 0.62 -0.76 0.23 0.00 0.00 176.35 175.73 2jap s LEU 97 N 1.08 4.00 0.00 1.79 1.43 -1.26 -4.75 118.68 120.96 2jap s LEU 97 Ca 0.08 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 2jap s LEU 97 Cb -0.24 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.30 2jap s LEU 97 CO -0.03 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 176.92 2jap n GLY 98 N -1.00 3.42 3.70 -3.19 0.00 0.03 -3.94 105.19 104.21 2jap n GLY 98 Ca -0.00 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 2jap n GLY 98 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jap s PRO 99 N -2.26 1.40 0.08 1.61 0.02 -1.26 -4.26 135.00 130.32 2jap s PRO 99 Ca 0.00 1.46 -0.18 0.00 0.02 0.00 0.00 61.00 62.29 2jap s PRO 99 Cb 0.00 -1.78 -0.09 0.00 0.02 0.00 0.00 34.50 32.65 2jap s PRO 99 CO 0.00 -2.34 1.48 0.28 -0.33 0.00 0.00 177.00 176.10 2jap h VAL 100 N -1.61 1.28 -2.04 3.83 2.07 -2.00 -3.38 116.25 114.39 2jap h VAL 100 Ca -0.43 -1.02 -0.62 0.00 0.82 0.00 0.00 66.70 65.44 2jap h VAL 100 Cb 1.26 1.45 0.04 0.00 -1.52 0.00 0.00 31.29 32.52 2jap h VAL 100 CO 0.44 0.32 0.86 1.21 0.02 0.00 0.00 177.57 180.42 2jap n GLU 101 N -4.58 1.93 -2.93 1.57 2.13 -1.26 -1.73 120.64 115.77 2jap n GLU 101 Ca -0.04 0.70 -0.17 0.00 0.66 0.00 0.00 57.16 58.32 2jap n GLU 101 Cb 0.28 -2.47 -0.01 0.00 0.27 0.00 0.00 31.44 29.52 2jap n GLU 101 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jap n ASP 102 N 4.53 -3.44 -4.74 4.31 8.00 -1.26 -4.92 116.55 119.02 2jap n ASP 102 Ca 0.20 -0.08 -0.35 0.00 0.71 0.00 0.00 54.79 55.28 2jap n ASP 102 Cb 0.26 -2.90 0.06 0.00 -0.02 0.00 0.00 41.12 38.52 2jap n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jap s ALA 103 N -2.71 2.33 -0.52 2.24 0.00 -0.71 -4.95 121.76 117.45 2jap s ALA 103 Ca 0.21 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.78 2jap s ALA 103 Cb -0.11 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.58 2jap s ALA 103 CO 0.25 -1.53 1.40 0.34 0.00 0.00 0.00 175.76 176.23 2jap s ASP 104 N -1.92 6.20 0.00 0.00 -1.08 -1.26 -4.90 116.67 113.71 2jap s ASP 104 Ca 0.75 0.45 0.17 0.00 -0.52 0.00 0.00 52.55 53.39 2jap s ASP 104 Cb -0.29 -2.54 0.72 0.00 -1.46 0.00 0.00 42.92 39.35 2jap s ASP 104 CO 0.40 -1.62 1.53 0.35 0.52 0.00 0.00 175.17 176.36 2jap n THR 105 N 6.93 0.82 0.22 1.71 -2.24 -1.26 -1.23 114.28 119.22 2jap n THR 105 Ca 0.14 0.21 0.07 0.00 -2.27 0.00 0.00 64.05 62.19 2jap n THR 105 Cb 0.49 -0.92 0.49 0.00 -2.10 0.00 0.00 70.33 68.29 2jap n THR 105 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2jap h THR 106 N 0.00 0.96 -0.61 4.28 1.35 -2.00 -1.81 112.91 115.08 2jap h THR 106 Ca 0.00 -0.98 0.10 0.00 -0.55 0.00 0.00 66.41 64.99 2jap h THR 106 Cb 0.28 1.56 -0.08 0.00 -1.73 0.00 0.00 68.15 68.18 2jap h THR 106 CO 0.00 0.26 0.20 0.44 -0.25 0.00 0.00 175.52 176.16 2jap h ASP 107 N 0.00 0.15 -0.03 5.36 5.19 -1.58 -2.07 116.42 123.44 2jap h ASP 107 Ca -0.00 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 2jap h ASP 107 Cb 0.54 0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 2jap h ASP 107 CO 0.03 0.08 -0.03 -0.50 -3.12 0.00 0.00 179.24 175.71 2jap h TRP 108 N 0.35 0.08 -0.59 4.55 6.55 -1.49 -2.08 115.95 123.33 2jap h TRP 108 Ca 0.32 -0.03 -0.07 0.00 0.95 0.00 0.00 58.89 60.07 2jap h TRP 108 Cb 0.43 -0.02 -0.03 0.00 -0.86 0.00 0.00 29.16 28.69 2jap h TRP 108 CO -0.20 0.56 0.11 1.79 -1.05 0.00 0.00 178.44 179.65 2jap h THR 109 N -0.42 1.25 -0.06 1.49 1.35 -1.40 0.18 112.91 115.30 2jap h THR 109 Ca 0.00 -0.94 -0.00 0.00 -0.55 0.00 0.00 66.41 64.92 2jap h THR 109 Cb 0.55 0.68 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2jap h THR 109 CO 0.01 0.35 0.03 0.03 -0.25 0.00 0.00 175.52 175.68 2jap h ARG 110 N 0.89 0.09 -0.49 4.72 3.08 -1.38 0.13 114.38 121.43 2jap h ARG 110 Ca 0.18 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 2jap h ARG 110 Cb 0.37 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2jap h ARG 110 CO 0.01 0.22 0.28 0.52 -1.07 0.00 0.00 179.97 179.93 2jap h MET 111 N -0.05 0.66 -0.43 0.04 2.86 -1.06 -1.21 114.93 115.74 2jap h MET 111 Ca 0.02 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 2jap h MET 111 Cb 0.16 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2jap h MET 111 CO -0.00 0.50 0.12 0.82 1.06 0.00 0.00 176.91 179.41 2jap h ILE 112 N 0.65 1.22 -0.25 -1.22 2.04 -0.92 0.17 117.51 119.20 2jap h ILE 112 Ca 0.17 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 65.28 2jap h ILE 112 Cb 0.01 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2jap h ILE 112 CO -0.03 0.27 0.16 0.44 0.00 0.00 0.00 178.15 178.99 2jap h ASP 113 N 0.56 0.27 0.03 1.72 3.32 -0.84 0.49 116.42 121.97 2jap h ASP 113 Ca 0.14 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2jap h ASP 113 Cb 0.28 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2jap h ASP 113 CO -0.00 0.20 -0.02 0.74 -1.72 0.00 0.00 179.24 178.44 2jap h THR 114 N 0.32 0.30 -0.22 0.35 2.02 -1.18 0.37 112.91 114.88 2jap h THR 114 Ca 0.09 -1.18 -0.14 0.00 0.77 0.00 0.00 66.41 65.95 2jap h THR 114 Cb -0.03 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2jap h THR 114 CO -0.03 0.10 -0.45 0.78 0.37 0.00 0.00 175.52 176.29 2jap h ASN 115 N -1.01 0.61 0.00 4.18 4.21 -0.79 -3.18 115.58 119.61 2jap h ASN 115 Ca -0.00 -0.29 0.00 0.00 1.21 0.00 0.00 56.30 57.22 2jap h ASN 115 Cb 0.20 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 2jap h ASN 115 CO 0.01 0.97 -0.08 -0.11 -1.29 0.00 0.00 177.43 176.93 2jap n LEU 116 N -4.01 0.20 -0.12 1.61 7.94 -1.00 -4.34 117.00 117.28 2jap n LEU 116 Ca -0.02 0.03 -0.09 0.00 -1.11 0.00 0.00 56.01 54.82 2jap n LEU 116 Cb 0.55 -0.37 -0.01 0.00 0.53 0.00 0.00 43.42 44.11 2jap n LEU 116 CO 0.46 -0.49 0.92 0.25 -1.11 0.00 0.00 177.39 177.41 2jap h LEU 117 N -0.08 0.48 -0.54 -1.96 5.85 -1.00 -1.03 115.31 117.03 2jap h LEU 117 Ca 0.00 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2jap h LEU 117 Cb 0.08 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2jap h LEU 117 CO 0.00 0.50 0.29 1.23 -0.34 0.00 0.00 178.44 180.12 2jap h GLY 118 N 0.43 0.77 1.01 3.75 0.00 -0.28 0.20 103.07 108.95 2jap h GLY 118 Ca 0.12 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.25 2jap h GLY 118 CO -0.01 0.14 0.48 -2.00 0.00 0.00 0.00 176.54 175.15 2jap h LEU 119 N 0.56 0.84 -0.38 3.11 6.46 -1.48 -1.43 115.31 122.99 2jap h LEU 119 Ca 0.24 -0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.89 2jap h LEU 119 Cb 0.12 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 2jap h LEU 119 CO -0.15 0.61 -0.08 0.24 -0.62 0.00 0.00 178.44 178.44 2jap h MET 120 N 0.99 0.73 -0.13 1.25 2.86 -0.64 -1.30 114.93 118.69 2jap h MET 120 Ca 0.27 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2jap h MET 120 Cb -0.11 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 2jap h MET 120 CO -0.06 0.87 0.02 1.88 1.06 0.00 0.00 176.91 180.68 2jap h TYR 121 N 0.54 0.04 -0.31 -0.22 0.99 -0.51 -1.19 116.97 116.30 2jap h TYR 121 Ca 0.10 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.84 2jap h TYR 121 Cb 0.59 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.31 2jap h TYR 121 CO 0.05 0.01 0.20 0.52 -0.00 0.00 0.00 178.16 178.94 2jap h MET 122 N 0.08 0.42 -0.30 4.88 2.86 -1.22 -1.27 114.93 120.38 2jap h MET 122 Ca 0.06 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.73 2jap h MET 122 Cb 0.05 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.56 2jap h MET 122 CO -0.08 0.29 -0.10 1.15 1.06 0.00 0.00 176.91 179.23 2jap h THR 123 N 0.42 0.64 -0.48 2.22 2.02 -1.14 -1.26 112.91 115.33 2jap h THR 123 Ca 0.11 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 2jap h THR 123 Cb -0.03 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 2jap h THR 123 CO -0.02 0.00 0.21 -0.09 0.37 0.00 0.00 175.52 175.99 2jap h ARG 124 N -0.04 0.71 -0.31 6.66 2.43 -0.95 -1.44 114.38 121.45 2jap h ARG 124 Ca 0.15 -0.12 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 2jap h ARG 124 Cb 0.27 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2jap h ARG 124 CO -0.33 0.62 -0.24 0.00 -1.51 0.00 0.00 179.97 178.51 2jap h ALA 125 N 1.05 1.00 0.00 2.80 0.00 -1.10 -3.06 119.26 119.96 2jap h ALA 125 Ca 0.16 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2jap h ALA 125 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2jap h ALA 125 CO -0.02 0.59 -0.56 0.00 0.00 0.00 0.00 179.25 179.26 2jap h ALA 126 N 1.21 0.71 -0.54 0.00 0.00 -1.06 -3.39 119.26 116.19 2jap h ALA 126 Ca 0.07 -0.51 0.08 0.00 0.00 0.00 0.00 54.91 54.55 2jap h ALA 126 Cb 0.70 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2jap h ALA 126 CO 0.05 0.70 0.19 1.25 0.00 0.00 0.00 179.25 181.44 2jap h LEU 127 N 0.00 0.17 -1.24 0.00 5.85 -1.15 -0.75 115.31 118.20 2jap h LEU 127 Ca -0.01 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.89 2jap h LEU 127 Cb 1.31 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 2jap h LEU 127 CO 0.07 0.12 0.57 -0.65 -0.34 0.00 0.00 178.44 178.21 2jap h PRO 128 N 0.36 0.80 -0.22 5.25 0.11 -1.76 0.11 132.00 136.65 2jap h PRO 128 Ca 0.26 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.12 2jap h PRO 128 Cb 0.31 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.24 2jap h PRO 128 CO -0.28 0.53 -0.66 0.45 -0.21 0.00 0.00 178.00 177.83 2jap h HIS 129 N 0.82 1.09 -0.60 0.65 3.86 -1.49 -2.83 115.15 116.66 2jap h HIS 129 Ca 0.41 -0.44 -0.08 0.00 -1.16 0.00 0.00 60.37 59.10 2jap h HIS 129 Cb 0.48 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 2jap h HIS 129 CO -0.00 1.27 0.04 -0.07 0.86 0.00 0.00 177.93 180.03 2jap h LEU 130 N 0.60 0.99 -0.68 2.43 3.38 -0.61 -2.44 115.31 118.98 2jap h LEU 130 Ca -0.02 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2jap h LEU 130 Cb 1.28 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 2jap h LEU 130 CO 0.14 1.02 0.40 -0.07 0.09 0.00 0.00 178.44 180.02 2jap h LEU 131 N 0.94 0.63 -0.79 1.67 3.38 -0.77 0.24 115.31 120.61 2jap h LEU 131 Ca 0.18 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2jap h LEU 131 Cb 0.49 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2jap h LEU 131 CO 0.02 0.42 0.17 0.03 0.09 0.00 0.00 178.44 179.17 2jap h ARG 132 N 0.76 1.08 -0.02 1.13 3.08 -1.30 -3.12 114.38 115.99 2jap h ARG 132 Ca 0.29 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2jap h ARG 132 Cb 0.12 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2jap h ARG 132 CO -0.15 0.95 -0.14 -1.13 -1.07 0.00 0.00 179.97 178.43 2jap n SER 133 N -4.24 1.88 -3.86 7.04 3.41 -0.94 -4.95 113.62 111.96 2jap n SER 133 Ca 0.05 -1.50 -0.25 0.00 -0.26 0.00 0.00 58.87 56.91 2jap n SER 133 Cb 0.25 0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2jap n SER 133 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jap n LYS 134 N 0.27 -3.43 -0.31 4.33 5.02 0.67 -4.95 118.16 119.75 2jap n LYS 134 Ca 0.15 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 2jap n LYS 134 Cb 0.44 -4.63 0.00 0.00 -0.02 0.00 0.00 35.03 30.82 2jap n LYS 134 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jap n GLY 135 N -1.86 0.24 3.05 0.72 0.00 -0.18 -4.69 105.19 102.47 2jap n GLY 135 Ca -0.29 -1.85 -0.25 0.00 0.00 0.00 0.00 46.02 43.63 2jap n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jap s THR 136 N 0.13 1.21 -0.20 2.61 2.01 0.29 -1.22 115.64 120.47 2jap s THR 136 Ca 0.00 -0.54 -0.06 0.00 0.31 0.00 0.00 61.69 61.40 2jap s THR 136 Cb 0.00 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 2jap s THR 136 CO 0.00 0.37 0.03 0.54 -0.69 0.00 0.00 174.62 174.87 2jap s VAL 137 N 0.52 4.32 -0.24 3.82 0.11 -0.09 -1.09 120.40 127.76 2jap s VAL 137 Ca -0.13 -0.19 -0.07 0.00 -2.93 0.00 0.00 61.98 58.66 2jap s VAL 137 Cb -0.15 -2.96 -0.03 0.00 -1.53 0.00 0.00 36.38 31.72 2jap s VAL 137 CO 0.04 0.43 0.05 -0.69 -3.33 0.00 0.00 175.10 171.60 2jap s VAL 138 N 0.82 4.24 -0.23 2.04 1.01 0.15 -1.02 120.40 127.42 2jap s VAL 138 Ca 0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 2jap s VAL 138 Cb -0.14 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 2jap s VAL 138 CO 0.02 0.36 0.15 -1.10 0.00 0.00 0.00 175.10 174.53 2jap s GLN 139 N 1.45 4.09 -0.90 2.72 -1.52 0.65 -0.48 119.66 125.67 2jap s GLN 139 Ca 0.05 -0.27 -0.20 0.00 -1.95 0.00 0.00 55.36 53.00 2jap s GLN 139 Cb -0.15 -3.50 0.11 0.00 -0.22 0.00 0.00 33.01 29.25 2jap s GLN 139 CO 0.03 0.12 1.16 1.41 -0.25 0.00 0.00 175.29 177.76 2jap s MET 140 N 0.88 3.51 0.00 2.91 1.75 -0.60 -1.22 119.30 126.54 2jap s MET 140 Ca 0.07 -1.48 0.00 0.00 -1.25 0.00 0.00 55.69 53.04 2jap s MET 140 Cb -0.13 -4.88 0.00 0.00 2.84 0.00 0.00 34.83 32.66 2jap s MET 140 CO 0.03 -1.86 0.00 0.45 -0.65 0.00 0.00 175.02 172.98 2jap n SER 141 N 7.20 0.00 -3.59 1.11 2.88 0.76 -4.89 113.62 117.09 2jap n SER 141 Ca 0.21 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.70 2jap n SER 141 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 2jap n SER 141 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jap s SER 142 N -1.00 -0.24 0.54 -3.46 0.15 -1.24 -4.39 113.70 104.06 2jap s SER 142 Ca 0.00 -0.09 0.34 0.00 0.70 0.00 0.00 55.95 56.90 2jap s SER 142 Cb 0.00 0.32 1.51 0.00 -1.71 0.00 0.00 66.02 66.13 2jap s SER 142 CO 0.00 -0.54 1.84 -0.29 1.20 0.00 0.00 173.24 175.46 2jap h ILE 143 N 2.00 0.47 0.00 6.45 2.10 -1.26 0.13 117.51 127.41 2jap h ILE 143 Ca -0.20 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.73 2jap h ILE 143 Cb 1.22 0.46 0.00 0.00 -1.09 0.00 0.00 36.82 37.40 2jap h ILE 143 CO 0.28 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.35 2jap n ALA 144 N -2.74 1.46 1.33 0.18 0.00 -1.26 -0.45 120.51 119.04 2jap n ALA 144 Ca 0.23 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.82 2jap n ALA 144 Cb 1.11 -1.24 0.38 0.00 0.00 0.00 0.00 19.45 19.70 2jap n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jap n GLY 145 N -0.44 0.32 0.00 0.00 0.00 0.45 -4.12 105.19 101.40 2jap n GLY 145 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2jap n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jap n ARG 146 N 0.55 2.70 -3.96 1.61 5.12 0.17 -4.41 116.66 118.44 2jap n ARG 146 Ca 0.17 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.97 2jap n ARG 146 Cb 0.44 -0.85 -0.13 0.00 -1.16 0.00 0.00 32.46 30.75 2jap n ARG 146 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2jap s VAL 147 N -1.67 0.15 -0.18 1.55 -7.23 0.41 -5.12 120.40 108.29 2jap s VAL 147 Ca 0.00 -0.40 -0.06 0.00 -1.81 0.00 0.00 61.98 59.71 2jap s VAL 147 Cb 0.00 -0.19 -0.03 0.00 0.56 0.00 0.00 36.38 36.71 2jap s VAL 147 CO 0.00 -0.16 0.03 0.20 -0.31 0.00 0.00 175.10 174.85 2jap s ASN 148 N -0.60 5.26 0.26 4.85 0.01 -1.26 -4.32 114.94 119.15 2jap s ASN 148 Ca -0.05 -0.03 0.09 0.00 -0.71 0.00 0.00 52.86 52.16 2jap s ASN 148 Cb -0.04 -1.89 -0.05 0.00 0.41 0.00 0.00 41.25 39.67 2jap s ASN 148 CO -0.00 0.15 -0.14 0.68 -1.51 0.00 0.00 177.10 176.27 2jap s VAL 149 N 0.53 2.06 0.64 1.60 -7.23 -1.26 -5.14 120.40 111.60 2jap s VAL 149 Ca 0.01 -2.27 -0.18 0.00 -1.81 0.00 0.00 61.98 57.73 2jap s VAL 149 Cb -0.13 -2.28 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 2jap s VAL 149 CO 0.02 -0.42 1.28 0.54 -0.31 0.00 0.00 175.10 176.20 2jap n ARG 150 N -0.56 1.12 -1.40 4.82 1.74 -1.26 -3.44 116.66 117.69 2jap n ARG 150 Ca -0.06 0.44 -0.13 0.00 -0.77 0.00 0.00 57.85 57.33 2jap n ARG 150 Cb 0.61 -2.51 -0.05 0.00 -1.02 0.00 0.00 32.46 29.49 2jap n ARG 150 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jap n ASN 151 N -1.80 -4.51 -1.21 0.55 3.02 -1.26 -4.85 115.26 105.19 2jap n ASN 151 Ca 0.16 0.30 0.04 0.00 -0.03 0.00 0.00 54.58 55.05 2jap n ASN 151 Cb 0.48 -3.15 0.05 0.00 -0.61 0.00 0.00 39.78 36.54 2jap n ASN 151 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jap n ALA 152 N 1.14 2.49 0.01 5.41 0.00 -1.22 -0.79 120.51 127.56 2jap n ALA 152 Ca -0.13 -2.32 -0.13 0.00 0.00 0.00 0.00 53.44 50.87 2jap n ALA 152 Cb 0.42 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 2jap n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jap h ALA 153 N 0.85 -0.61 -0.08 0.00 0.00 -1.82 0.14 119.26 117.74 2jap h ALA 153 Ca -0.16 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 2jap h ALA 153 Cb 1.69 0.78 0.00 0.00 0.00 0.00 0.00 17.79 20.25 2jap h ALA 153 CO 0.07 -0.93 -0.79 0.28 0.00 0.00 0.00 179.25 177.88 2jap h VAL 154 N -0.51 1.35 -0.07 0.00 2.07 -1.92 -0.24 116.25 116.93 2jap h VAL 154 Ca 0.07 -2.15 -0.00 0.00 0.82 0.00 0.00 66.70 65.44 2jap h VAL 154 Cb 0.63 2.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2jap h VAL 154 CO -0.38 0.66 0.04 0.22 0.02 0.00 0.00 177.57 178.13 2jap h TYR 155 N 0.35 0.10 -0.70 1.57 5.03 -1.81 -0.81 116.97 120.69 2jap h TYR 155 Ca -0.05 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.27 2jap h TYR 155 Cb 1.40 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 39.61 2jap h TYR 155 CO 0.06 0.12 0.47 1.96 -1.32 0.00 0.00 178.16 179.45 2jap h GLN 156 N 0.04 0.93 -0.62 1.82 4.20 -0.68 -1.73 115.11 119.08 2jap h GLN 156 Ca 0.03 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.71 2jap h GLN 156 Cb 0.06 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 2jap h GLN 156 CO -0.00 0.62 0.37 0.00 -0.67 0.00 0.00 178.83 179.14 2jap h ALA 157 N 1.56 0.80 -0.60 3.87 0.00 -0.48 -0.53 119.26 123.89 2jap h ALA 157 Ca 0.26 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 2jap h ALA 157 Cb -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2jap h ALA 157 CO -0.06 0.10 0.02 1.79 0.00 0.00 0.00 179.25 181.11 2jap h THR 158 N 0.73 1.26 0.01 0.00 1.35 -0.47 -1.08 112.91 114.71 2jap h THR 158 Ca 0.25 -1.11 -0.23 0.00 -0.55 0.00 0.00 66.41 64.77 2jap h THR 158 Cb 0.04 0.78 0.02 0.00 -1.73 0.00 0.00 68.15 67.26 2jap h THR 158 CO -0.11 0.40 -0.92 0.11 -0.25 0.00 0.00 175.52 174.75 2jap h LYS 159 N 0.94 0.60 -0.93 4.72 1.79 -1.01 0.83 116.57 123.51 2jap h LYS 159 Ca 0.17 -0.66 0.03 0.00 -2.18 0.00 0.00 60.65 58.01 2jap h LYS 159 Cb 0.52 0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 31.31 2jap h LYS 159 CO 0.03 1.26 0.61 0.74 -1.08 0.00 0.00 179.45 181.01 2jap h PHE 160 N 0.22 1.14 -0.21 -1.35 -1.00 -1.15 -1.64 116.94 112.95 2jap h PHE 160 Ca -0.12 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.69 2jap h PHE 160 Cb 1.59 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 40.76 2jap h PHE 160 CO 0.12 0.68 0.13 0.78 -1.61 0.00 0.00 178.31 178.41 2jap h GLY 161 N 1.20 0.30 0.48 -1.45 0.00 -1.01 -1.79 103.07 100.81 2jap h GLY 161 Ca 0.36 -0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.66 2jap h GLY 161 CO -0.10 0.12 0.33 -2.08 0.00 0.00 0.00 176.54 174.81 2jap h VAL 162 N 0.26 0.85 -0.47 4.60 2.07 -0.53 -0.35 116.25 122.68 2jap h VAL 162 Ca 0.07 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 2jap h VAL 162 Cb 0.01 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 2jap h VAL 162 CO -0.01 0.10 0.11 0.78 0.02 0.00 0.00 177.57 178.57 2jap h ASN 163 N 0.57 0.73 -0.21 0.57 4.21 -1.00 -0.64 115.58 119.81 2jap h ASN 163 Ca 0.33 -0.24 -0.05 0.00 1.21 0.00 0.00 56.30 57.56 2jap h ASN 163 Cb 0.35 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.35 2jap h ASN 163 CO -0.26 0.78 -0.06 0.00 -1.29 0.00 0.00 177.43 176.60 2jap h ALA 164 N 0.98 0.29 -0.70 -0.83 0.00 -1.15 -0.02 119.26 117.82 2jap h ALA 164 Ca 0.15 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.93 2jap h ALA 164 Cb 0.34 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 2jap h ALA 164 CO 0.00 0.08 0.22 0.35 0.00 0.00 0.00 179.25 179.91 2jap h PHE 165 N 0.13 0.37 0.01 0.00 3.57 -0.99 -1.44 116.94 118.58 2jap h PHE 165 Ca 0.05 0.04 -0.25 0.00 3.53 0.00 0.00 57.97 61.34 2jap h PHE 165 Cb 0.52 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.21 2jap h PHE 165 CO 0.05 0.01 -1.02 0.77 -2.23 0.00 0.00 178.31 175.89 2jap h SER 166 N 0.35 0.76 -0.67 0.41 0.02 -0.88 0.81 113.55 114.35 2jap h SER 166 Ca 0.38 -0.62 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 2jap h SER 166 Cb 0.59 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 2jap h SER 166 CO -0.42 1.42 0.40 -0.08 -1.14 0.00 0.00 176.83 177.00 2jap h GLU 167 N 0.32 0.92 -0.21 3.45 4.57 -0.89 0.48 114.58 123.22 2jap h GLU 167 Ca -0.11 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 57.96 2jap h GLU 167 Cb 1.67 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 30.06 2jap h GLU 167 CO 0.19 0.66 0.06 1.15 -1.18 0.00 0.00 179.01 179.89 2jap h THR 168 N 0.92 1.20 -0.60 0.32 2.02 -1.12 -1.87 112.91 113.77 2jap h THR 168 Ca 0.24 -0.64 0.12 0.00 0.77 0.00 0.00 66.41 66.90 2jap h THR 168 Cb -0.01 1.23 -0.09 0.00 -1.74 0.00 0.00 68.15 67.53 2jap h THR 168 CO -0.04 0.20 0.12 0.25 0.37 0.00 0.00 175.52 176.41 2jap h LEU 169 N 0.16 -0.03 -0.36 2.58 5.85 -0.68 -1.78 115.31 121.05 2jap h LEU 169 Ca 0.07 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.97 2jap h LEU 169 Cb 0.26 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 2jap h LEU 169 CO -0.00 -0.01 -0.02 -0.09 -0.34 0.00 0.00 178.44 177.99 2jap h ARG 170 N 0.24 0.08 -0.87 1.25 2.43 -0.50 -0.48 114.38 116.54 2jap h ARG 170 Ca 0.32 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.55 2jap h ARG 170 Cb 0.48 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.96 2jap h ARG 170 CO -0.42 0.05 0.57 1.96 -1.51 0.00 0.00 179.97 180.62 2jap h GLN 171 N 0.08 0.93 -0.00 0.20 4.20 -0.67 0.02 115.11 119.88 2jap h GLN 171 Ca 0.18 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.64 2jap h GLN 171 Cb 0.25 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2jap h GLN 171 CO -0.31 0.62 -0.85 0.93 -0.67 0.00 0.00 178.83 178.55 2jap h GLU 172 N 0.96 0.19 0.00 1.46 5.08 -0.42 -3.39 114.58 118.45 2jap h GLU 172 Ca 0.38 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2jap h GLU 172 Cb 0.23 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2jap h GLU 172 CO -0.14 0.93 -0.34 1.33 -1.00 0.00 0.00 179.01 179.78 2jap n VAL 173 N -3.67 0.00 -0.18 3.13 0.24 -0.30 -4.78 118.33 112.77 2jap n VAL 173 Ca -0.03 -0.35 0.01 0.00 -2.04 0.00 0.00 64.34 61.93 2jap n VAL 173 Cb 0.79 0.86 0.27 0.00 -1.47 0.00 0.00 33.84 34.29 2jap n VAL 173 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jap h THR 174 N 0.00 1.18 0.00 3.34 1.03 -1.11 -1.33 112.91 116.02 2jap h THR 174 Ca 0.00 -0.34 0.00 0.00 -0.01 0.00 0.00 66.41 66.06 2jap h THR 174 Cb 0.05 0.17 0.00 0.00 -1.07 0.00 0.00 68.15 67.30 2jap h THR 174 CO 0.00 0.18 0.00 -0.33 -0.01 0.00 0.00 175.52 175.36 2jap h GLU 175 N 0.94 0.00 -0.44 0.00 5.08 -1.85 -1.08 114.58 117.22 2jap h GLU 175 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2jap h GLU 175 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2jap h GLU 175 CO -0.05 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.50 2jap n ARG 176 N -3.02 2.14 -0.77 2.33 1.74 -0.51 -4.95 116.66 113.63 2jap n ARG 176 Ca 0.00 -1.76 0.00 0.00 -0.77 0.00 0.00 57.85 55.32 2jap n ARG 176 Cb 0.28 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 2jap n ARG 176 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jap n GLY 177 N 1.30 0.57 3.59 -0.13 0.00 -0.41 -4.79 105.19 105.32 2jap n GLY 177 Ca 0.17 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 2jap n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jap s VAL 178 N -2.00 5.01 0.01 1.61 1.01 -1.17 -3.98 120.40 120.89 2jap s VAL 178 Ca 0.00 0.69 -0.21 0.00 0.00 0.00 0.00 61.98 62.46 2jap s VAL 178 Cb 0.00 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 2jap s VAL 178 CO 0.00 -0.08 0.61 -0.13 0.00 0.00 0.00 175.10 175.50 2jap s ARG 179 N 2.43 4.33 -0.26 2.72 0.52 -0.36 -3.93 118.95 124.39 2jap s ARG 179 Ca 0.21 0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 56.15 2jap s ARG 179 Cb -0.15 -3.33 0.01 0.00 0.52 0.00 0.00 34.95 31.99 2jap s ARG 179 CO 0.11 0.39 0.01 0.08 0.02 0.00 0.00 175.30 175.91 2jap s VAL 180 N -0.27 3.53 -0.11 3.52 1.01 -1.26 -0.91 120.40 125.91 2jap s VAL 180 Ca 0.32 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2jap s VAL 180 Cb -0.19 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 2jap s VAL 180 CO 0.18 0.21 -0.14 -0.69 0.00 0.00 0.00 175.10 174.66 2jap s VAL 181 N 1.45 3.01 -0.18 2.92 1.01 -0.18 -4.19 120.40 124.24 2jap s VAL 181 Ca 0.03 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2jap s VAL 181 Cb -0.16 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.01 2jap s VAL 181 CO -0.01 0.54 -0.17 -0.69 0.00 0.00 0.00 175.10 174.78 2jap s VAL 182 N 0.05 1.88 -0.17 2.92 1.01 0.73 -0.25 120.40 126.56 2jap s VAL 182 Ca -0.05 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 2jap s VAL 182 Cb -0.14 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2jap s VAL 182 CO 0.04 0.44 0.10 -0.63 0.00 0.00 0.00 175.10 175.06 2jap s ILE 183 N 1.35 5.17 -0.54 2.22 -1.09 -0.36 -1.55 121.20 126.40 2jap s ILE 183 Ca 0.03 0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.59 2jap s ILE 183 Cb -0.14 -3.32 0.16 0.00 -1.58 0.00 0.00 42.46 37.58 2jap s ILE 183 CO -0.11 0.49 0.36 -1.61 -1.23 0.00 0.00 174.94 172.84 2jap s GLU 184 N 0.03 1.68 0.37 2.79 2.02 0.51 -0.17 118.70 125.93 2jap s GLU 184 Ca 0.08 -2.58 -0.25 0.00 0.02 0.00 0.00 54.97 52.24 2jap s GLU 184 Cb -0.12 -2.58 -0.09 0.00 0.10 0.00 0.00 34.13 31.44 2jap s GLU 184 CO 0.00 -1.26 1.05 -2.14 0.02 0.00 0.00 175.26 172.93 2jap s PRO 185 N -0.44 4.28 0.00 0.39 0.02 -1.26 -1.49 135.00 136.49 2jap s PRO 185 Ca 0.24 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.82 2jap s PRO 185 Cb -0.10 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.74 2jap s PRO 185 CO -0.11 -0.05 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 2jap n GLY 186 N 0.52 -0.65 3.65 0.52 0.00 0.69 -1.02 105.19 108.91 2jap n GLY 186 Ca 0.04 -1.67 -0.54 0.00 0.00 0.00 0.00 46.02 43.85 2jap n GLY 186 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jap n THR 187 N -0.46 0.37 -4.82 2.61 -1.04 -1.26 -4.86 114.28 104.83 2jap n THR 187 Ca 0.00 -0.11 -0.26 0.00 -2.04 0.00 0.00 64.05 61.65 2jap n THR 187 Cb 0.00 -1.50 -0.16 0.00 -1.82 0.00 0.00 70.33 66.85 2jap n THR 187 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2jap s THR 188 N 4.41 1.40 -0.95 12.58 2.01 -1.26 -0.72 115.64 133.11 2jap s THR 188 Ca 0.99 -0.70 -0.24 0.00 0.31 0.00 0.00 61.69 62.05 2jap s THR 188 Cb -0.92 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 70.41 2jap s THR 188 CO 0.59 0.40 1.55 -0.62 -0.69 0.00 0.00 174.62 175.85 2jap s ASP 189 N 0.02 6.13 0.17 3.53 2.15 -0.13 -4.91 116.67 123.64 2jap s ASP 189 Ca -0.03 -1.11 0.02 0.00 0.43 0.00 0.00 52.55 51.86 2jap s ASP 189 Cb -0.11 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 39.94 2jap s ASP 189 CO 0.02 -1.84 0.09 0.35 -0.17 0.00 0.00 175.17 173.62 2jap n THR 190 N 7.05 0.00 0.55 1.71 -2.24 -1.26 -4.54 114.28 115.55 2jap n THR 190 Ca 0.31 -1.10 0.12 0.00 -2.27 0.00 0.00 64.05 61.11 2jap n THR 190 Cb 0.50 0.45 0.45 0.00 -2.10 0.00 0.00 70.33 69.63 2jap n THR 190 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jap n GLU 191 N -0.38 0.18 -0.33 -0.78 1.02 -1.26 -4.39 120.64 114.70 2jap n GLU 191 Ca -0.01 0.29 -0.01 0.00 -0.02 0.00 0.00 57.16 57.42 2jap n GLU 191 Cb 0.28 -1.78 0.05 0.00 -0.02 0.00 0.00 31.44 29.97 2jap n GLU 191 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2jap h LEU 192 N 0.00 -1.24 -1.63 -4.62 5.85 -1.96 -0.79 115.31 110.92 2jap h LEU 192 Ca 0.00 0.28 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 2jap h LEU 192 Cb 0.50 0.67 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2jap h LEU 192 CO 0.00 -0.30 -0.00 0.08 -0.34 0.00 0.00 178.44 177.88 2jap h ARG 193 N -0.04 0.00 0.00 1.25 0.11 -1.88 -2.80 114.38 111.02 2jap h ARG 193 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 2jap h ARG 193 Cb 0.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.68 2jap h ARG 193 CO -0.91 0.00 0.00 0.78 0.10 0.00 0.00 179.97 179.94 2jap h GLY 194 N 1.82 0.00 1.01 0.08 0.00 -1.44 -2.88 103.07 101.67 2jap h GLY 194 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jap h GLY 194 CO 0.00 0.00 -0.83 0.45 0.00 0.00 0.00 176.54 176.16 2jap h HIS 195 N 0.00 0.00 -1.54 5.60 3.86 -1.65 -3.47 115.15 117.95 2jap h HIS 195 Ca 0.00 0.00 -0.73 0.00 -1.16 0.00 0.00 60.37 58.48 2jap h HIS 195 Cb 0.07 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.57 2jap h HIS 195 CO 0.00 0.00 0.67 -0.89 0.86 0.00 0.00 177.93 178.57 2jap n ILE 196 N -2.30 0.16 0.07 2.45 5.41 -1.09 -4.88 119.36 119.17 2jap n ILE 196 Ca 0.02 -0.03 0.07 0.00 1.00 0.00 0.00 62.75 63.81 2jap n ILE 196 Cb 0.48 -0.96 -0.04 0.00 -0.71 0.00 0.00 39.64 38.40 2jap n ILE 196 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2jap n THR 197 N 3.59 0.80 -2.67 1.39 -2.24 -1.26 -4.72 114.28 109.16 2jap n THR 197 Ca 0.23 -0.60 -0.43 0.00 -2.27 0.00 0.00 64.05 60.98 2jap n THR 197 Cb 0.14 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 67.88 2jap n THR 197 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2jap s HIS 198 N -3.20 2.71 0.12 4.78 5.65 -1.25 -4.93 115.29 119.17 2jap s HIS 198 Ca -0.02 0.34 -0.18 0.00 0.25 0.00 0.00 55.06 55.45 2jap s HIS 198 Cb 0.09 -4.34 -0.04 0.00 -1.18 0.00 0.00 32.58 27.11 2jap s HIS 198 CO 0.81 -1.44 1.69 1.15 -0.65 0.00 0.00 174.74 176.29 2jap h THR 199 N 6.13 1.16 -0.88 0.89 2.02 -1.91 -0.11 112.91 120.20 2jap h THR 199 Ca -0.25 -0.46 0.05 0.00 0.77 0.00 0.00 66.41 66.53 2jap h THR 199 Cb 1.06 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 68.33 2jap h THR 199 CO 1.14 0.16 0.56 0.00 0.37 0.00 0.00 175.52 177.75 2jap h ALA 200 N 0.99 1.20 -0.17 6.16 0.00 -1.98 -1.75 119.26 123.71 2jap h ALA 200 Ca 0.10 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 2jap h ALA 200 Cb 0.13 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2jap h ALA 200 CO -0.01 0.34 -0.60 1.15 0.00 0.00 0.00 179.25 180.12 2jap h THR 201 N 1.03 1.31 -0.61 0.00 2.02 -1.79 -1.52 112.91 113.35 2jap h THR 201 Ca 0.37 -1.83 0.11 0.00 0.77 0.00 0.00 66.41 65.83 2jap h THR 201 Cb 0.12 1.96 -0.09 0.00 -1.74 0.00 0.00 68.15 68.40 2jap h THR 201 CO -0.16 0.58 0.14 0.50 0.37 0.00 0.00 175.52 176.95 2jap h LYS 202 N 0.41 0.27 -0.41 6.66 3.64 -0.81 0.20 116.57 126.54 2jap h LYS 202 Ca -0.03 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 2jap h LYS 202 Cb 1.23 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2jap h LYS 202 CO 0.13 0.18 -0.09 0.93 -2.27 0.00 0.00 179.45 178.33 2jap h GLU 203 N 0.28 0.78 -0.64 1.90 5.08 -1.27 -1.93 114.58 118.78 2jap h GLU 203 Ca 0.32 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2jap h GLU 203 Cb 0.47 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2jap h GLU 203 CO -0.40 0.90 0.34 1.98 -1.00 0.00 0.00 179.01 180.84 2jap h MET 204 N 0.59 0.90 -0.31 2.33 4.05 -0.66 -1.97 114.93 119.87 2jap h MET 204 Ca 0.10 -0.11 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 2jap h MET 204 Cb 0.61 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 2jap h MET 204 CO 0.04 0.69 0.05 -0.92 0.23 0.00 0.00 176.91 176.99 2jap h TYR 205 N 0.87 0.54 -0.70 1.39 5.03 -0.60 -2.01 116.97 121.50 2jap h TYR 205 Ca 0.22 -0.08 0.04 0.00 2.58 0.00 0.00 58.73 61.50 2jap h TYR 205 Cb 0.06 -0.15 -0.05 0.00 1.55 0.00 0.00 36.73 38.14 2jap h TYR 205 CO -0.01 0.60 0.42 0.93 -1.32 0.00 0.00 178.16 178.78 2jap h GLU 206 N 0.33 0.77 -0.65 1.82 4.39 -1.15 -1.70 114.58 118.40 2jap h GLU 206 Ca 0.09 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 2jap h GLU 206 Cb 0.35 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 2jap h GLU 206 CO 0.01 0.51 0.07 0.37 -1.16 0.00 0.00 179.01 178.81 2jap h GLN 207 N 0.80 1.09 -0.57 2.33 5.75 -1.30 -2.29 115.11 120.91 2jap h GLN 207 Ca 0.29 -0.30 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 2jap h GLN 207 Cb 0.10 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 2jap h GLN 207 CO -0.14 1.01 0.10 -0.09 -2.65 0.00 0.00 178.83 177.06 2jap h ARG 208 N 1.01 0.91 -0.06 1.69 2.43 -0.70 -2.95 114.38 116.71 2jap h ARG 208 Ca 0.19 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2jap h ARG 208 Cb 0.48 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2jap h ARG 208 CO 0.02 0.84 0.00 0.44 -1.51 0.00 0.00 179.97 179.75 2jap n ILE 209 N -4.24 0.06 0.49 1.20 -5.35 -0.70 -4.15 119.36 106.66 2jap n ILE 209 Ca 0.04 -0.37 0.13 0.00 -0.27 0.00 0.00 62.75 62.28 2jap n ILE 209 Cb 0.26 0.81 0.44 0.00 -1.74 0.00 0.00 39.64 39.41 2jap n ILE 209 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2jap h SER 210 N 3.16 0.00 -0.47 7.28 4.64 -1.22 -3.25 113.55 123.69 2jap h SER 210 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jap h SER 210 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2jap h SER 210 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2jap n GLN 211 N -2.36 2.53 -4.27 4.77 1.13 -1.26 -4.95 117.38 112.98 2jap n GLN 211 Ca 0.04 -2.34 -0.22 0.00 -1.94 0.00 0.00 57.00 52.53 2jap n GLN 211 Cb 0.35 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 29.08 2jap n GLN 211 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2jap s ILE 212 N -1.28 1.60 -0.30 5.09 -4.36 -1.23 -5.04 121.20 115.69 2jap s ILE 212 Ca 0.40 -1.54 -0.29 0.00 -0.26 0.00 0.00 60.65 58.95 2jap s ILE 212 Cb 0.22 -1.50 -0.00 0.00 1.25 0.00 0.00 42.46 42.43 2jap s ILE 212 CO 0.30 -0.13 1.40 -0.13 0.24 0.00 0.00 174.94 176.62 2jap s ARG 213 N -1.99 3.83 0.56 0.37 0.52 -1.26 -5.00 118.95 115.97 2jap s ARG 213 Ca 0.06 1.30 -0.17 0.00 -0.52 0.00 0.00 55.73 56.41 2jap s ARG 213 Cb -0.09 -3.94 -0.05 0.00 0.52 0.00 0.00 34.95 31.38 2jap s ARG 213 CO 0.04 -1.24 1.04 0.15 0.02 0.00 0.00 175.30 175.32 2jap s LYS 214 N 4.42 3.51 0.60 3.54 1.02 -1.26 -4.68 119.74 126.88 2jap s LYS 214 Ca 0.61 1.18 -0.19 0.00 0.02 0.00 0.00 55.97 57.59 2jap s LYS 214 Cb -0.18 -2.06 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 2jap s LYS 214 CO 0.26 -0.65 1.25 -0.51 -0.92 0.00 0.00 175.35 174.78 2jap s LEU 215 N -4.26 3.67 0.09 3.17 1.43 0.10 -4.81 118.68 118.06 2jap s LEU 215 Ca 0.63 2.51 0.01 0.00 -1.03 0.00 0.00 54.13 56.25 2jap s LEU 215 Cb -0.15 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.48 2jap s LEU 215 CO 0.33 -1.70 0.21 -1.10 0.23 0.00 0.00 176.35 174.32 2jap s GLN 216 N -3.27 3.37 0.31 1.70 -1.52 -1.26 -0.96 119.66 118.04 2jap s GLN 216 Ca 0.78 -0.51 0.07 0.00 -1.95 0.00 0.00 55.36 53.74 2jap s GLN 216 Cb -0.34 -2.98 0.76 0.00 -0.22 0.00 0.00 33.01 30.23 2jap s GLN 216 CO 0.37 0.58 1.79 0.00 -0.25 0.00 0.00 175.29 177.78 2jap h ALA 217 N 2.86 1.71 -0.45 6.09 0.00 -1.91 -0.20 119.26 127.37 2jap h ALA 217 Ca -0.46 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jap h ALA 217 Cb 1.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2jap h ALA 217 CO 0.73 -0.07 0.26 0.37 0.00 0.00 0.00 179.25 180.54 2jap h GLN 218 N 0.75 0.60 -0.57 0.00 4.15 -1.93 -1.40 115.11 116.71 2jap h GLN 218 Ca 0.56 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.92 2jap h GLN 218 Cb 0.90 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 2jap h GLN 218 CO -0.35 0.43 0.29 -0.44 -1.93 0.00 0.00 178.83 176.83 2jap h ASP 219 N 0.61 0.74 -0.28 -0.69 3.32 -1.43 -1.41 116.42 117.30 2jap h ASP 219 Ca 0.16 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 2jap h ASP 219 Cb -0.01 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 2jap h ASP 219 CO -0.03 0.65 -0.40 0.40 -1.72 0.00 0.00 179.24 178.14 2jap h ILE 220 N 0.78 1.30 -0.91 0.35 1.08 -1.25 -2.15 117.51 116.71 2jap h ILE 220 Ca 0.20 -1.59 0.09 0.00 -0.39 0.00 0.00 64.86 63.17 2jap h ILE 220 Cb 0.09 1.65 -0.07 0.00 -3.07 0.00 0.00 36.82 35.42 2jap h ILE 220 CO -0.03 0.51 0.59 0.00 -0.69 0.00 0.00 178.15 178.53 2jap h ALA 221 N 0.68 1.58 -0.32 1.87 0.00 -1.20 -1.47 119.26 120.39 2jap h ALA 221 Ca 0.03 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2jap h ALA 221 Cb 0.99 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2jap h ALA 221 CO 0.09 0.25 -0.21 1.49 0.00 0.00 0.00 179.25 180.88 2jap h GLU 222 N 0.96 0.61 -0.18 0.00 4.57 -0.94 -0.33 114.58 119.27 2jap h GLU 222 Ca 0.42 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2jap h GLU 222 Cb 0.34 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2jap h GLU 222 CO -0.18 0.78 0.11 0.00 -1.18 0.00 0.00 179.01 178.54 2jap h ALA 223 N 1.23 0.23 -0.40 2.92 0.00 -0.70 -0.15 119.26 122.39 2jap h ALA 223 Ca 0.08 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2jap h ALA 223 Cb 0.65 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2jap h ALA 223 CO 0.05 -0.28 0.20 0.28 0.00 0.00 0.00 179.25 179.50 2jap h VAL 224 N 0.22 0.97 -0.36 0.00 2.07 -1.12 -1.49 116.25 116.54 2jap h VAL 224 Ca 0.06 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2jap h VAL 224 Cb 0.00 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2jap h VAL 224 CO -0.01 0.07 0.17 -0.09 0.02 0.00 0.00 177.57 177.73 2jap h ARG 225 N 0.40 0.34 -0.34 1.57 2.43 -0.83 -0.47 114.38 117.49 2jap h ARG 225 Ca 0.17 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 2jap h ARG 225 Cb 0.08 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2jap h ARG 225 CO -0.12 0.23 0.18 -0.92 -1.51 0.00 0.00 179.97 177.83 2jap h TYR 226 N 0.36 0.34 -0.47 2.20 3.20 -0.77 -1.87 116.97 119.95 2jap h TYR 226 Ca 0.15 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 2jap h TYR 226 Cb 0.07 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 2jap h TYR 226 CO -0.10 0.19 0.07 0.00 -1.64 0.00 0.00 178.16 176.68 2jap h ALA 227 N 1.16 0.63 0.00 1.82 0.00 -0.86 -2.73 119.26 119.28 2jap h ALA 227 Ca 0.14 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2jap h ALA 227 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2jap h ALA 227 CO -0.08 0.36 -0.23 -0.39 0.00 0.00 0.00 179.25 178.91 2jap h VAL 228 N 0.65 0.40 -0.01 0.00 -1.51 -1.03 -3.16 116.25 111.59 2jap h VAL 228 Ca 0.14 -1.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.06 2jap h VAL 228 Cb 0.40 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 2jap h VAL 228 CO 0.01 0.22 -0.27 0.35 -1.23 0.00 0.00 177.57 176.66 2jap n THR 229 N -3.16 0.00 -1.76 7.19 -2.24 -0.71 -4.91 114.28 108.69 2jap n THR 229 Ca 0.03 -0.14 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 2jap n THR 229 Cb 0.62 0.45 0.05 0.00 -2.10 0.00 0.00 70.33 69.35 2jap n THR 229 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jap s ALA 230 N -2.49 2.76 0.63 6.98 0.00 -1.03 -4.95 121.76 123.66 2jap s ALA 230 Ca 0.24 1.34 -0.18 0.00 0.00 0.00 0.00 51.96 53.36 2jap s ALA 230 Cb 0.19 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2jap s ALA 230 CO 0.52 -1.44 1.15 -0.35 0.00 0.00 0.00 175.76 175.64 2jap n PRO 231 N -1.17 1.00 -0.07 0.00 -0.04 -1.26 -4.86 135.00 128.60 2jap n PRO 231 Ca 0.11 0.39 0.14 0.00 -0.04 0.00 0.00 63.50 64.11 2jap n PRO 231 Cb 0.45 -2.38 0.54 0.00 -0.04 0.00 0.00 33.50 32.08 2jap n PRO 231 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2jap h HIS 232 N 0.47 0.35 0.00 0.54 2.76 -1.95 0.22 115.15 117.53 2jap h HIS 232 Ca -0.50 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 2jap h HIS 232 Cb 1.35 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.20 2jap h HIS 232 CO 0.39 0.16 0.00 -2.39 -1.30 0.00 0.00 177.93 174.79 2jap n HIS 233 N -4.46 0.08 -4.18 5.26 1.44 -1.26 -4.57 115.22 107.54 2jap n HIS 233 Ca 0.10 0.03 -0.34 0.00 -2.01 0.00 0.00 57.72 55.50 2jap n HIS 233 Cb 0.44 -0.55 -0.13 0.00 0.12 0.00 0.00 29.99 29.87 2jap n HIS 233 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2jap s ALA 234 N -3.04 2.91 -0.34 1.59 0.00 0.06 -5.08 121.76 117.87 2jap s ALA 234 Ca 0.06 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 2jap s ALA 234 Cb 0.08 -1.64 0.04 0.00 0.00 0.00 0.00 23.12 21.60 2jap s ALA 234 CO 0.25 -0.11 0.12 0.99 0.00 0.00 0.00 175.76 177.00 2jap s THR 235 N 0.94 3.90 -1.10 0.00 2.01 -1.26 -4.70 115.64 115.42 2jap s THR 235 Ca 0.00 -1.09 -0.21 0.00 0.31 0.00 0.00 61.69 60.70 2jap s THR 235 Cb -0.15 -3.20 0.07 0.00 0.01 0.00 0.00 72.50 69.23 2jap s THR 235 CO 0.01 -0.19 1.50 -0.69 -0.69 0.00 0.00 174.62 174.56 2jap s VAL 236 N 1.42 4.11 0.29 3.82 1.01 -1.26 -4.82 120.40 124.97 2jap s VAL 236 Ca -0.01 -1.27 0.09 0.00 0.00 0.00 0.00 61.98 60.80 2jap s VAL 236 Cb -0.19 -5.06 -0.00 0.00 0.00 0.00 0.00 36.38 31.12 2jap s VAL 236 CO 0.03 -1.91 1.65 -0.74 0.00 0.00 0.00 175.10 174.14 2jap h HIS 237 N 8.94 0.09 -3.27 5.22 2.76 -1.92 -3.37 115.15 123.61 2jap h HIS 237 Ca 0.27 -0.03 -0.27 0.00 -2.20 0.00 0.00 60.37 58.14 2jap h HIS 237 Cb 0.97 -0.02 -0.33 0.00 1.55 0.00 0.00 27.41 29.58 2jap h HIS 237 CO 1.30 0.61 -0.63 -1.21 -1.30 0.00 0.00 177.93 176.70 2jap s GLU 238 N -3.80 0.05 -0.18 5.26 2.02 -1.26 -0.20 118.70 120.61 2jap s GLU 238 Ca -0.02 0.38 0.01 0.00 0.02 0.00 0.00 54.97 55.35 2jap s GLU 238 Cb 0.13 -0.22 0.03 0.00 0.10 0.00 0.00 34.13 34.17 2jap s GLU 238 CO 0.76 -0.20 -0.12 0.42 0.02 0.00 0.00 175.26 176.14 2jap s ILE 239 N 1.41 1.63 -0.37 -1.63 1.01 -0.59 -4.98 121.20 117.68 2jap s ILE 239 Ca -0.06 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 2jap s ILE 239 Cb -0.12 -1.63 0.06 0.00 0.01 0.00 0.00 42.46 40.78 2jap s ILE 239 CO -0.05 0.30 0.16 0.12 0.00 0.00 0.00 174.94 175.46 2jap s PHE 240 N 1.43 3.31 -0.19 3.97 5.36 -1.26 -0.37 117.98 130.23 2jap s PHE 240 Ca 0.01 -1.56 -0.01 0.00 -0.96 0.00 0.00 56.93 54.42 2jap s PHE 240 Cb -0.15 -2.56 0.01 0.00 -0.34 0.00 0.00 43.02 39.98 2jap s PHE 240 CO -0.09 -0.79 -0.15 -1.50 -1.46 0.00 0.00 175.22 171.23 2jap s ILE 241 N 1.38 2.49 0.13 3.12 2.07 -0.55 -5.01 121.20 124.83 2jap s ILE 241 Ca 0.01 -0.79 0.08 0.00 -1.41 0.00 0.00 60.65 58.53 2jap s ILE 241 Cb -0.21 -2.08 -0.04 0.00 0.13 0.00 0.00 42.46 40.26 2jap s ILE 241 CO 0.02 0.50 -0.10 -0.13 -1.91 0.00 0.00 174.94 173.32 2jap s ARG 242 N 1.33 2.07 0.13 3.50 0.52 -1.26 -0.22 118.95 125.02 2jap s ARG 242 Ca 0.05 -1.12 -0.31 0.00 -0.52 0.00 0.00 55.73 53.82 2jap s ARG 242 Cb -0.13 -2.24 -0.09 0.00 0.52 0.00 0.00 34.95 33.01 2jap s ARG 242 CO -0.09 0.48 1.50 -2.14 0.02 0.00 0.00 175.30 175.07 2jap s PRO 243 N -2.43 4.25 0.54 3.54 0.02 -1.26 -4.88 135.00 134.78 2jap s PRO 243 Ca 0.22 2.23 0.24 0.00 0.02 0.00 0.00 61.00 63.72 2jap s PRO 243 Cb -0.10 -3.25 1.42 0.00 0.02 0.00 0.00 34.50 32.59 2jap s PRO 243 CO 0.14 -0.56 2.05 1.15 -0.33 0.00 0.00 177.00 179.45 2jap h THR 244 N 4.23 0.73 0.00 0.99 2.02 -1.99 -2.34 112.91 116.55 2jap h THR 244 Ca -0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.76 2jap h THR 244 Cb 1.20 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2jap h THR 244 CO 0.90 0.00 0.00 0.47 0.37 0.00 0.00 175.52 177.26 2jap n ASP 245 N -4.28 0.35 -4.36 4.18 8.00 -1.26 -4.78 116.55 114.41 2jap n ASP 245 Ca 0.05 0.53 -0.38 0.00 0.71 0.00 0.00 54.79 55.70 2jap n ASP 245 Cb 0.43 -0.63 -0.12 0.00 -0.02 0.00 0.00 41.12 40.78 2jap n ASP 245 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2jap s GLN 246 N -3.04 3.03 0.00 -1.24 0.74 -0.88 -4.95 119.66 113.32 2jap s GLN 246 Ca 0.12 -0.91 0.06 0.00 0.05 0.00 0.00 55.36 54.69 2jap s GLN 246 Cb 0.16 -3.47 0.36 0.00 1.10 0.00 0.00 33.01 31.15 2jap s GLN 246 CO 0.56 -0.51 0.82 0.28 -0.55 0.00 0.00 175.29 175.89