#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1d s VAL 19 N 0.00 3.00 0.02 1.69 0.11 -1.26 -5.12 120.40 118.85 1p1d s VAL 19 Ca 0.00 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 1p1d s VAL 19 Cb 0.00 -2.23 -0.02 0.00 -1.53 0.00 0.00 36.38 32.59 1p1d s VAL 19 CO 0.00 0.54 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.59 1p1d s VAL 20 N 0.07 0.16 -0.20 2.04 1.01 -1.26 -4.94 120.40 117.28 1p1d s VAL 20 Ca -0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1p1d s VAL 20 Cb -0.15 -0.34 0.07 0.00 0.00 0.00 0.00 36.38 35.96 1p1d s VAL 20 CO 0.05 -0.50 0.06 -2.28 0.00 0.00 0.00 175.10 172.43 1p1d s HIS 21 N -1.53 0.79 0.37 5.22 2.46 -1.26 -5.03 115.29 116.32 1p1d s HIS 21 Ca -0.15 -0.77 -0.25 0.00 0.47 0.00 0.00 55.06 54.36 1p1d s HIS 21 Cb -0.09 -0.97 -0.12 0.00 -0.13 0.00 0.00 32.58 31.26 1p1d s HIS 21 CO -0.01 -0.62 0.84 0.25 -2.47 0.00 0.00 174.74 172.73 1p1d n THR 22 N 5.11 2.10 -4.12 0.89 -2.24 -1.26 -4.27 114.28 110.49 1p1d n THR 22 Ca -0.08 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 1p1d n THR 22 Cb 0.47 -0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 67.77 1p1d n THR 22 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1p1d s GLU 23 N -1.70 1.54 0.12 -0.78 2.12 -0.94 -4.96 118.70 114.10 1p1d s GLU 23 Ca 0.62 -1.59 0.04 0.00 0.36 0.00 0.00 54.97 54.40 1p1d s GLU 23 Cb -0.63 0.38 -0.04 0.00 0.26 0.00 0.00 34.13 34.10 1p1d s GLU 23 CO 0.58 -0.59 -0.09 0.95 -0.54 0.00 0.00 175.26 175.57 1p1d s THR 24 N -3.77 0.99 0.00 -1.70 -4.23 -1.26 -1.80 115.64 103.87 1p1d s THR 24 Ca 0.32 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1p1d s THR 24 Cb 0.02 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.15 1p1d s THR 24 CO 0.15 -0.75 0.00 1.07 -0.54 0.00 0.00 174.62 174.55 1p1d n THR 25 N -0.01 0.00 -4.45 3.99 5.66 0.09 -4.93 114.28 114.62 1p1d n THR 25 Ca -0.12 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.65 1p1d n THR 25 Cb 0.60 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.28 1p1d n THR 25 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1p1d s GLU 26 N -1.99 1.62 0.05 1.09 1.03 -1.26 -0.96 118.70 118.29 1p1d s GLU 26 Ca 0.00 -1.76 0.02 0.00 0.03 0.00 0.00 54.97 53.26 1p1d s GLU 26 Cb 0.00 -1.59 -0.03 0.00 -0.80 0.00 0.00 34.13 31.71 1p1d s GLU 26 CO 0.00 0.26 -0.07 0.54 -1.33 0.00 0.00 175.26 174.66 1p1d s VAL 27 N -2.65 0.50 -0.24 1.83 0.11 0.22 -4.82 120.40 115.35 1p1d s VAL 27 Ca 0.29 -1.22 0.01 0.00 -2.93 0.00 0.00 61.98 58.13 1p1d s VAL 27 Cb -0.03 -0.77 0.06 0.00 -1.53 0.00 0.00 36.38 34.12 1p1d s VAL 27 CO 0.13 -0.50 -0.07 -0.69 -3.33 0.00 0.00 175.10 170.65 1p1d s VAL 28 N -1.84 1.73 -0.28 2.04 1.01 -1.26 -1.64 120.40 120.16 1p1d s VAL 28 Ca -0.07 -1.37 -0.09 0.00 0.00 0.00 0.00 61.98 60.46 1p1d s VAL 28 Cb -0.07 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1p1d s VAL 28 CO -0.01 -0.09 0.12 -0.76 0.00 0.00 0.00 175.10 174.36 1p1d s LEU 29 N 1.30 3.80 0.29 3.92 2.01 0.83 -4.81 118.68 126.02 1p1d s LEU 29 Ca -0.06 -0.29 0.09 0.00 0.01 0.00 0.00 54.13 53.88 1p1d s LEU 29 Cb -0.19 -1.99 -0.04 0.00 0.01 0.00 0.00 46.19 43.98 1p1d s LEU 29 CO -0.06 -0.10 0.02 0.42 1.01 0.00 0.00 176.35 177.64 1p1d s THR 30 N 1.64 3.20 -0.36 5.49 -4.23 -1.26 0.13 115.64 120.25 1p1d s THR 30 Ca 0.06 -1.90 -0.09 0.00 -1.18 0.00 0.00 61.69 58.58 1p1d s THR 30 Cb -0.16 -2.84 0.04 0.00 1.34 0.00 0.00 72.50 70.88 1p1d s THR 30 CO 0.06 -0.31 0.16 0.00 -0.54 0.00 0.00 174.62 173.99 1p1d s ALA 31 N -2.38 3.17 0.50 3.99 0.00 -0.85 -4.27 121.76 121.92 1p1d s ALA 31 Ca 0.33 -1.76 -0.11 0.00 0.00 0.00 0.00 51.96 50.43 1p1d s ALA 31 Cb -0.05 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.58 1p1d s ALA 31 CO 0.20 -1.38 0.88 0.16 0.00 0.00 0.00 175.76 175.62 1p1d s ASP 32 N 1.51 6.41 0.00 0.00 -4.77 -0.65 -4.74 116.67 114.43 1p1d s ASP 32 Ca 0.00 1.24 0.05 0.00 -3.30 0.00 0.00 52.55 50.54 1p1d s ASP 32 Cb -0.20 -2.38 0.28 0.00 -1.09 0.00 0.00 42.92 39.54 1p1d s ASP 32 CO 0.05 -0.60 0.92 -0.81 0.70 0.00 0.00 175.17 175.43 1p1d n PRO 33 N -1.94 0.70 -0.07 2.11 -0.04 -1.26 -0.40 135.00 134.10 1p1d n PRO 33 Ca 0.04 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.36 1p1d n PRO 33 Cb 0.54 -1.10 -0.05 0.00 -0.04 0.00 0.00 33.50 32.84 1p1d n PRO 33 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1p1d n VAL 34 N -0.60 0.79 -1.23 0.52 0.31 -1.26 -4.89 118.33 111.96 1p1d n VAL 34 Ca 0.04 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1p1d n VAL 34 Cb 0.02 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1p1d n VAL 34 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1p1d n THR 35 N -3.44 0.00 0.00 2.52 -2.24 -1.22 -5.07 114.28 104.82 1p1d n THR 35 Ca -0.27 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1p1d n THR 35 Cb 0.72 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 1p1d n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p1d n GLY 36 N 0.00 0.39 2.91 3.38 0.00 0.46 -4.23 105.19 108.11 1p1d n GLY 36 Ca 0.00 0.68 -0.29 0.00 0.00 0.00 0.00 46.02 46.42 1p1d n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p1d s PHE 37 N 0.00 1.89 -0.63 1.61 0.40 -1.26 -1.64 117.98 118.35 1p1d s PHE 37 Ca 0.00 -1.26 0.08 0.00 -0.60 0.00 0.00 56.93 55.15 1p1d s PHE 37 Cb 0.00 -1.39 0.47 0.00 0.51 0.00 0.00 43.02 42.61 1p1d s PHE 37 CO 0.00 -0.66 1.23 0.41 0.70 0.00 0.00 175.22 176.90 1p1d n GLY 38 N 4.82 2.30 3.17 4.36 0.00 -1.26 -4.85 105.19 113.73 1p1d n GLY 38 Ca -0.12 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 1p1d n GLY 38 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1p1d s ILE 39 N -1.99 1.65 0.02 -0.61 -4.36 -1.26 0.49 121.20 115.13 1p1d s ILE 39 Ca 0.32 -0.83 0.09 0.00 -0.26 0.00 0.00 60.65 59.96 1p1d s ILE 39 Cb 0.24 -1.41 -0.02 0.00 1.25 0.00 0.00 42.46 42.51 1p1d s ILE 39 CO 0.10 0.47 -0.25 0.00 0.24 0.00 0.00 174.94 175.49 1p1d s GLN 40 N 0.05 1.85 0.12 0.37 -2.07 -0.75 -5.01 119.66 114.21 1p1d s GLN 40 Ca -0.06 -1.01 0.06 0.00 -1.82 0.00 0.00 55.36 52.53 1p1d s GLN 40 Cb -0.13 -1.93 -0.04 0.00 -1.09 0.00 0.00 33.01 29.83 1p1d s GLN 40 CO 0.03 0.51 -0.14 -0.48 -1.32 0.00 0.00 175.29 173.89 1p1d s LEU 41 N -0.99 2.40 0.42 2.60 2.34 -1.26 -0.08 118.68 124.12 1p1d s LEU 41 Ca 0.11 -0.81 0.08 0.00 0.06 0.00 0.00 54.13 53.56 1p1d s LEU 41 Cb -0.10 -0.55 0.00 0.00 -0.56 0.00 0.00 46.19 44.99 1p1d s LEU 41 CO 0.01 -0.15 0.50 -1.58 -1.06 0.00 0.00 176.35 174.08 1p1d s GLN 42 N -2.67 2.71 -0.14 1.48 -0.44 0.35 -4.82 119.66 116.13 1p1d s GLN 42 Ca 0.09 -1.36 -0.14 0.00 -2.50 0.00 0.00 55.36 51.45 1p1d s GLN 42 Cb -0.05 -2.62 -0.06 0.00 -1.64 0.00 0.00 33.01 28.65 1p1d s GLN 42 CO 0.03 -0.25 -0.28 0.41 0.50 0.00 0.00 175.29 175.70 1p1d n GLY 43 N -1.75 -0.42 3.77 2.59 0.00 -1.26 -1.43 105.19 106.70 1p1d n GLY 43 Ca 0.06 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1p1d n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p1d s SER 44 N -6.13 5.65 0.00 1.61 0.01 -1.26 -4.53 113.70 109.05 1p1d s SER 44 Ca -0.24 2.17 0.00 0.00 1.31 0.00 0.00 55.95 59.19 1p1d s SER 44 Cb 0.05 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1p1d s SER 44 CO 0.35 -1.27 0.00 0.52 0.41 0.00 0.00 173.24 173.25 1p1d n VAL 45 N -1.40 0.00 -0.16 3.43 0.31 -1.26 -4.96 118.33 114.30 1p1d n VAL 45 Ca 0.12 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.40 1p1d n VAL 45 Cb 0.51 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.49 1p1d n VAL 45 CO 0.00 0.00 0.00 2.19 -1.32 0.00 0.00 176.83 177.70 1p1d h PHE 46 N 0.00 0.41 -6.05 3.52 -5.15 -1.94 -3.47 116.94 104.25 1p1d h PHE 46 Ca 0.00 0.02 -0.19 0.00 -0.20 0.00 0.00 57.97 57.61 1p1d h PHE 46 Cb 0.00 -0.11 0.01 0.00 0.22 0.00 0.00 35.95 36.07 1p1d h PHE 46 CO 0.00 0.18 -0.97 0.00 -2.00 0.00 0.00 178.31 175.52 1p1d n ALA 47 N -2.35 -2.55 -3.16 12.09 0.00 -1.26 -5.02 120.51 118.26 1p1d n ALA 47 Ca 0.04 0.52 0.03 0.00 0.00 0.00 0.00 53.44 54.04 1p1d n ALA 47 Cb 0.15 -2.24 -0.00 0.00 0.00 0.00 0.00 19.45 17.35 1p1d n ALA 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1p1d s THR 48 N -1.71 -1.00 -1.35 0.00 -4.23 -1.26 -4.92 115.64 101.17 1p1d s THR 48 Ca 0.25 -0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.68 1p1d s THR 48 Cb -0.04 -0.82 0.05 0.00 1.34 0.00 0.00 72.50 73.04 1p1d s THR 48 CO 0.69 -0.00 0.52 -1.84 -0.54 0.00 0.00 174.62 173.45 1p1d n GLU 49 N 5.24 -3.81 0.00 3.99 0.28 -1.26 -4.82 120.64 120.26 1p1d n GLU 49 Ca 0.06 0.60 0.00 0.00 -0.16 0.00 0.00 57.16 57.66 1p1d n GLU 49 Cb 0.55 -5.35 0.00 0.00 1.43 0.00 0.00 31.44 28.07 1p1d n GLU 49 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1p1d n THR 50 N -4.09 0.00 -1.97 3.84 5.66 -1.26 -5.06 114.28 111.39 1p1d n THR 50 Ca -0.04 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.93 1p1d n THR 50 Cb 0.56 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.32 1p1d n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p1d n LEU 51 N 0.00 -0.37 -0.59 1.09 -0.00 -1.26 -4.27 117.00 111.60 1p1d n LEU 51 Ca 0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 56.01 54.68 1p1d n LEU 51 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1p1d n LEU 51 CO 0.00 1.17 0.14 -1.20 -0.00 0.00 0.00 177.39 177.49 1p1d n SER 52 N 0.00 0.62 -4.75 1.45 7.64 -1.26 -4.61 113.62 112.71 1p1d n SER 52 Ca -0.10 -0.91 -0.41 0.00 1.01 0.00 0.00 58.87 58.46 1p1d n SER 52 Cb 0.56 -0.23 -0.04 0.00 -1.01 0.00 0.00 64.21 63.50 1p1d n SER 52 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1p1d s SER 53 N -0.26 7.11 0.60 6.43 0.15 -1.26 -4.72 113.70 121.75 1p1d s SER 53 Ca 0.00 2.34 -0.14 0.00 0.70 0.00 0.00 55.95 58.85 1p1d s SER 53 Cb 0.00 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1p1d s SER 53 CO 0.00 -0.30 1.03 -2.16 1.20 0.00 0.00 173.24 173.01 1p1d s PRO 54 N -1.07 3.46 0.95 5.44 0.04 -1.26 -4.74 135.00 137.82 1p1d s PRO 54 Ca 0.48 0.99 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 1p1d s PRO 54 Cb -0.34 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.03 1p1d s PRO 54 CO 0.42 -0.68 -0.49 -0.35 0.04 0.00 0.00 177.00 175.94 1p1d n PRO 55 N -2.30 -0.04 -3.15 0.56 -0.04 -1.26 -4.85 135.00 123.92 1p1d n PRO 55 Ca 0.07 -0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1p1d n PRO 55 Cb 0.54 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.80 1p1d n PRO 55 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1p1d s LEU 56 N 5.81 -1.37 0.31 1.53 2.34 -0.51 -3.84 118.68 122.94 1p1d s LEU 56 Ca 0.45 0.78 -0.30 0.00 0.06 0.00 0.00 54.13 55.12 1p1d s LEU 56 Cb -0.21 2.12 -0.11 0.00 -0.56 0.00 0.00 46.19 47.42 1p1d s LEU 56 CO 0.78 -0.26 1.59 -0.38 -1.06 0.00 0.00 176.35 177.03 1p1d n ILE 57 N 5.43 1.16 -1.02 1.48 5.41 -1.23 -0.50 119.36 130.08 1p1d n ILE 57 Ca -0.01 -0.29 0.05 0.00 1.00 0.00 0.00 62.75 63.51 1p1d n ILE 57 Cb 0.51 -1.99 0.07 0.00 -0.71 0.00 0.00 39.64 37.53 1p1d n ILE 57 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1p1d n SER 58 N 1.93 1.66 -3.65 4.38 7.64 0.89 0.55 113.62 127.03 1p1d n SER 58 Ca 0.07 -2.51 -0.03 0.00 1.01 0.00 0.00 58.87 57.41 1p1d n SER 58 Cb 0.37 -0.27 -0.07 0.00 -1.01 0.00 0.00 64.21 63.24 1p1d n SER 58 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1p1d s TYR 59 N -1.74 -0.09 0.06 1.43 6.14 -1.18 -4.98 117.35 116.99 1p1d s TYR 59 Ca 0.17 0.21 0.05 0.00 0.64 0.00 0.00 57.07 58.14 1p1d s TYR 59 Cb 0.15 0.48 -0.03 0.00 0.42 0.00 0.00 41.96 42.98 1p1d s TYR 59 CO 0.02 -0.05 -0.13 0.42 0.64 0.00 0.00 175.55 176.44 1p1d s ILE 60 N -0.10 1.05 0.18 3.14 -1.09 -1.26 -1.81 121.20 121.30 1p1d s ILE 60 Ca 0.07 -1.17 -0.04 0.00 -2.23 0.00 0.00 60.65 57.29 1p1d s ILE 60 Cb -0.04 -1.00 -0.05 0.00 -1.58 0.00 0.00 42.46 39.79 1p1d s ILE 60 CO -0.14 -0.16 0.40 -0.70 -1.23 0.00 0.00 174.94 173.11 1p1d s GLU 61 N -1.50 3.59 -0.47 2.79 2.12 0.18 -4.94 118.70 120.47 1p1d s GLU 61 Ca -0.01 -0.15 -0.02 0.00 0.36 0.00 0.00 54.97 55.14 1p1d s GLU 61 Cb -0.09 -2.82 0.19 0.00 0.26 0.00 0.00 34.13 31.67 1p1d s GLU 61 CO 0.02 0.42 2.35 0.00 -0.54 0.00 0.00 175.26 177.51 1p1d n ALA 62 N -0.25 6.00 0.00 6.30 0.00 -1.26 -3.95 120.51 127.35 1p1d n ALA 62 Ca -0.03 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.67 1p1d n ALA 62 Cb 0.53 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1p1d n ALA 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1p1d n ASP 63 N 0.33 0.00 -3.95 0.00 2.03 -1.26 -5.16 116.55 108.54 1p1d n ASP 63 Ca 0.45 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.57 1p1d n ASP 63 Cb 0.54 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.79 1p1d n ASP 63 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1p1d s SER 64 N 0.00 0.91 0.10 1.67 0.01 -1.25 -4.83 113.70 110.30 1p1d s SER 64 Ca 0.00 -0.13 0.05 0.00 1.31 0.00 0.00 55.95 57.17 1p1d s SER 64 Cb 0.00 -0.27 0.26 0.00 0.21 0.00 0.00 66.02 66.23 1p1d s SER 64 CO 0.00 0.03 1.04 -0.81 0.41 0.00 0.00 173.24 173.90 1p1d n PRO 65 N 3.42 0.03 0.27 12.44 -0.04 -1.26 -1.74 135.00 148.12 1p1d n PRO 65 Ca -0.19 0.44 -0.14 0.00 -0.04 0.00 0.00 63.50 63.57 1p1d n PRO 65 Cb 0.54 -1.75 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 1p1d n PRO 65 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p1d h ALA 66 N 1.48 -0.71 0.04 0.55 0.00 -1.87 -1.27 119.26 117.47 1p1d h ALA 66 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.49 1p1d h ALA 66 Cb 0.30 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1p1d h ALA 66 CO 0.00 -0.74 -1.05 1.49 0.00 0.00 0.00 179.25 178.94 1p1d h GLU 67 N -1.02 0.10 -0.09 0.00 4.57 -1.75 -3.22 114.58 113.18 1p1d h GLU 67 Ca -0.07 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 1p1d h GLU 67 Cb 0.62 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1p1d h GLU 67 CO 0.12 1.06 -0.01 0.00 -1.18 0.00 0.00 179.01 178.99 1p1d h ARG 68 N 0.03 0.12 -0.42 1.92 -0.00 -1.39 -1.47 114.38 113.16 1p1d h ARG 68 Ca -0.05 -0.01 0.10 0.00 -0.50 0.00 0.00 59.98 59.51 1p1d h ARG 68 Cb 1.79 -0.02 -0.02 0.00 0.00 0.00 0.00 29.97 31.72 1p1d h ARG 68 CO 0.15 0.15 0.29 0.00 0.00 0.00 0.00 179.97 180.56 1p1d n GLY 70 N -1.57 0.92 1.13 0.00 0.00 -0.56 -4.63 105.19 100.48 1p1d n GLY 70 Ca 0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 1p1d n GLY 70 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p1d n VAL 71 N -2.48 0.00 -3.96 1.61 0.31 -1.26 -4.60 118.33 107.95 1p1d n VAL 71 Ca 0.00 -0.38 -0.10 0.00 -0.01 0.00 0.00 64.34 63.86 1p1d n VAL 71 Cb 0.34 0.65 -0.11 0.00 -0.91 0.00 0.00 33.84 33.81 1p1d n VAL 71 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1p1d s LEU 72 N 0.00 2.15 0.32 7.52 1.43 -1.26 -4.96 118.68 123.89 1p1d s LEU 72 Ca 0.13 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 1p1d s LEU 72 Cb 0.15 0.14 0.01 0.00 0.03 0.00 0.00 46.19 46.52 1p1d s LEU 72 CO -0.06 -0.27 0.55 -1.10 0.23 0.00 0.00 176.35 175.70 1p1d s GLN 73 N -1.29 1.88 -0.69 1.70 1.11 -1.26 -4.84 119.66 116.27 1p1d s GLN 73 Ca -0.14 -1.52 -0.21 0.00 0.01 0.00 0.00 55.36 53.50 1p1d s GLN 73 Cb -0.09 0.50 -0.17 0.00 -1.01 0.00 0.00 33.01 32.24 1p1d s GLN 73 CO -0.01 -0.81 1.89 -0.89 0.01 0.00 0.00 175.29 175.48 1p1d n ILE 74 N -0.50 1.65 0.00 1.08 2.08 -1.26 -3.38 119.36 119.03 1p1d n ILE 74 Ca -0.02 -1.37 0.00 0.00 0.56 0.00 0.00 62.75 61.92 1p1d n ILE 74 Cb 0.61 -2.25 0.00 0.00 -0.75 0.00 0.00 39.64 37.26 1p1d n ILE 74 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1p1d n GLY 75 N 4.48 -0.23 3.64 7.39 0.00 0.19 -4.78 105.19 115.88 1p1d n GLY 75 Ca 0.48 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1p1d n GLY 75 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1p1d s ASP 76 N 0.00 6.65 -0.55 1.61 1.11 -1.22 -4.76 116.67 119.52 1p1d s ASP 76 Ca 0.00 0.79 -0.21 0.00 0.18 0.00 0.00 52.55 53.31 1p1d s ASP 76 Cb 0.00 -2.36 0.06 0.00 1.07 0.00 0.00 42.92 41.69 1p1d s ASP 76 CO 0.00 -0.37 0.78 -0.13 1.18 0.00 0.00 175.17 176.63 1p1d s ARG 77 N 2.41 3.19 0.33 8.23 3.00 -1.26 -3.58 118.95 131.27 1p1d s ARG 77 Ca 0.28 -0.69 -0.01 0.00 0.00 0.00 0.00 55.73 55.32 1p1d s ARG 77 Cb -0.16 -4.11 -0.04 0.00 0.00 0.00 0.00 34.95 30.65 1p1d s ARG 77 CO 0.09 -1.41 0.54 0.08 0.00 0.00 0.00 175.30 174.60 1p1d s VAL 78 N 3.27 5.10 0.00 3.52 1.01 -1.25 -2.60 120.40 129.45 1p1d s VAL 78 Ca 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1p1d s VAL 78 Cb -0.17 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1p1d s VAL 78 CO 0.14 -0.49 0.00 0.80 0.00 0.00 0.00 175.10 175.54 1p1d n MET 79 N -1.56 0.00 -3.89 2.72 1.56 0.23 -4.45 117.12 111.72 1p1d n MET 79 Ca -0.04 0.00 -0.11 0.00 -0.27 0.00 0.00 57.70 57.28 1p1d n MET 79 Cb 0.56 -0.91 -0.10 0.00 2.15 0.00 0.00 33.22 34.91 1p1d n MET 79 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1p1d s ALA 80 N -1.87 -0.22 -0.09 -5.12 0.00 -1.25 -2.73 121.76 110.48 1p1d s ALA 80 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 1p1d s ALA 80 Cb 0.00 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.24 1p1d s ALA 80 CO 0.00 -0.18 -0.03 0.42 0.00 0.00 0.00 175.76 175.96 1p1d s ILE 81 N -1.29 0.68 -1.49 0.00 1.01 0.90 -1.52 121.20 119.51 1p1d s ILE 81 Ca -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1p1d s ILE 81 Cb -0.08 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.62 1p1d s ILE 81 CO 0.01 0.31 0.00 0.59 0.00 0.00 0.00 174.94 175.85 1p1d n ASN 82 N 5.05 -4.27 0.00 3.58 4.13 0.77 0.16 115.26 124.69 1p1d n ASN 82 Ca -0.10 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.43 1p1d n ASN 82 Cb 0.50 -3.77 0.00 0.00 -1.54 0.00 0.00 39.78 34.97 1p1d n ASN 82 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p1d n GLY 83 N -0.53 2.97 3.74 7.41 0.00 -1.26 -5.06 105.19 112.45 1p1d n GLY 83 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1p1d n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p1d s ILE 84 N -2.85 4.21 1.01 -0.61 1.01 0.12 -5.05 121.20 119.05 1p1d s ILE 84 Ca 0.00 1.99 -0.17 0.00 0.00 0.00 0.00 60.65 62.47 1p1d s ILE 84 Cb 0.00 -4.27 0.25 0.00 0.01 0.00 0.00 42.46 38.45 1p1d s ILE 84 CO 0.00 0.38 1.05 -0.81 0.00 0.00 0.00 174.94 175.56 1p1d n PRO 85 N 2.18 -2.29 0.00 2.79 -0.04 -1.26 -0.07 135.00 136.31 1p1d n PRO 85 Ca 0.01 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.82 1p1d n PRO 85 Cb 0.48 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1p1d n PRO 85 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1p1d n THR 86 N -4.26 0.00 0.48 0.52 -2.24 -1.11 -4.69 114.28 102.98 1p1d n THR 86 Ca 0.14 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.00 1p1d n THR 86 Cb 0.52 -0.03 0.36 0.00 -2.10 0.00 0.00 70.33 69.07 1p1d n THR 86 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1p1d n GLU 87 N -1.97 0.05 -2.22 -0.78 2.13 -1.26 -2.88 120.64 113.71 1p1d n GLU 87 Ca 0.00 0.29 -0.28 0.00 0.66 0.00 0.00 57.16 57.83 1p1d n GLU 87 Cb 0.00 -1.59 0.01 0.00 0.27 0.00 0.00 31.44 30.13 1p1d n GLU 87 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1p1d n ASP 88 N -1.68 5.20 -2.77 4.31 5.68 -1.26 -4.87 116.55 121.15 1p1d n ASP 88 Ca 0.03 -3.74 0.02 0.00 -0.50 0.00 0.00 54.79 50.59 1p1d n ASP 88 Cb 0.19 -0.50 0.01 0.00 -1.14 0.00 0.00 41.12 39.67 1p1d n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1p1d n SER 89 N -0.59 -0.75 -4.78 -1.12 2.88 -1.14 -5.06 113.62 103.07 1p1d n SER 89 Ca 0.43 -1.16 -0.34 0.00 -1.33 0.00 0.00 58.87 56.47 1p1d n SER 89 Cb 0.72 1.16 0.01 0.00 -0.75 0.00 0.00 64.21 65.35 1p1d n SER 89 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1p1d s THR 90 N -2.07 3.26 0.30 2.46 2.01 -1.26 -4.77 115.64 115.57 1p1d s THR 90 Ca 0.19 0.73 0.09 0.00 0.31 0.00 0.00 61.69 63.02 1p1d s THR 90 Cb -0.00 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.25 1p1d s THR 90 CO -0.00 -0.22 1.68 2.19 -0.69 0.00 0.00 174.62 177.58 1p1d h PHE 91 N 0.96 0.11 -0.51 4.92 -5.15 -1.85 -2.93 116.94 112.48 1p1d h PHE 91 Ca -0.49 -0.03 0.12 0.00 -0.20 0.00 0.00 57.97 57.36 1p1d h PHE 91 Cb 1.25 -0.02 -0.03 0.00 0.22 0.00 0.00 35.95 37.38 1p1d h PHE 91 CO 0.53 0.57 0.35 0.93 -2.00 0.00 0.00 178.31 178.69 1p1d h GLU 92 N 0.07 0.16 0.81 6.09 5.08 -1.97 -1.60 114.58 123.23 1p1d h GLU 92 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1p1d h GLU 92 Cb 0.91 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.13 1p1d h GLU 92 CO 0.07 0.11 -0.39 0.93 -1.00 0.00 0.00 179.01 178.73 1p1d h GLU 93 N 0.17 -1.04 -0.45 2.33 4.39 -1.91 0.41 114.58 118.48 1p1d h GLU 93 Ca 0.24 0.07 0.13 0.00 0.34 0.00 0.00 59.36 60.14 1p1d h GLU 93 Cb 0.73 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 1p1d h GLU 93 CO -0.04 -0.68 0.36 0.00 -1.16 0.00 0.00 179.01 177.49 1p1d h ALA 94 N -1.03 2.33 0.06 3.43 0.00 -1.53 0.16 119.26 122.68 1p1d h ALA 94 Ca -0.11 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 1p1d h ALA 94 Cb 0.84 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.68 1p1d h ALA 94 CO 0.18 -0.59 -0.82 -0.91 0.00 0.00 0.00 179.25 177.11 1p1d h ASN 95 N 0.00 0.62 -0.00 0.00 -0.26 -0.77 -2.34 115.58 112.83 1p1d h ASN 95 Ca 0.21 -0.82 -0.15 0.00 -0.56 0.00 0.00 56.30 54.99 1p1d h ASN 95 Cb 0.93 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 1p1d h ASN 95 CO -0.00 1.37 -0.50 0.06 -1.06 0.00 0.00 177.43 177.30 1p1d h GLN 96 N -0.05 0.56 -0.14 0.81 -0.00 0.13 -0.25 115.11 116.17 1p1d h GLN 96 Ca -0.12 -0.33 -0.06 0.00 -0.00 0.00 0.00 58.65 58.14 1p1d h GLN 96 Cb 1.55 0.03 -0.00 0.00 -0.00 0.00 0.00 27.48 29.05 1p1d h GLN 96 CO 0.16 0.93 -0.16 1.37 -0.00 0.00 0.00 178.83 181.12 1p1d h LEU 97 N 0.44 0.39 0.59 0.06 8.10 -0.85 -1.46 115.31 122.60 1p1d h LEU 97 Ca 0.02 -0.49 -0.03 0.00 0.11 0.00 0.00 57.88 57.49 1p1d h LEU 97 Cb 1.03 -0.11 0.01 0.00 -0.44 0.00 0.00 40.66 41.14 1p1d h LEU 97 CO 0.09 0.81 -0.28 -0.07 -4.11 0.00 0.00 178.44 174.88 1p1d h LEU 98 N -0.01 -0.67 -1.99 0.17 3.38 -1.42 0.99 115.31 115.76 1p1d h LEU 98 Ca 0.02 -0.03 0.26 0.00 0.09 0.00 0.00 57.88 58.22 1p1d h LEU 98 Cb 0.71 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1p1d h LEU 98 CO 0.04 -0.35 0.66 0.08 0.09 0.00 0.00 178.44 178.96 1p1d h ARG 99 N -1.01 0.00 -0.58 1.13 -0.00 -1.13 0.62 114.38 113.42 1p1d h ARG 99 Ca -0.08 0.00 -0.39 0.00 -0.00 0.00 0.00 59.98 59.51 1p1d h ARG 99 Cb 0.67 0.00 -0.25 0.00 -0.00 0.00 0.00 29.97 30.38 1p1d h ARG 99 CO 0.13 0.00 -0.27 -3.47 -0.00 0.00 0.00 179.97 176.37 1p1d n ASP 100 N -4.21 4.17 -0.95 0.08 2.03 -0.55 -4.57 116.55 112.55 1p1d n ASP 100 Ca 0.19 -3.79 0.08 0.00 0.52 0.00 0.00 54.79 51.78 1p1d n ASP 100 Cb 0.98 -0.56 0.24 0.00 -0.72 0.00 0.00 41.12 41.05 1p1d n ASP 100 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1p1d n SER 101 N -0.93 3.73 -1.60 1.67 3.41 0.34 -4.46 113.62 115.78 1p1d n SER 101 Ca 0.41 -2.52 0.09 0.00 -0.26 0.00 0.00 58.87 56.59 1p1d n SER 101 Cb 0.92 -0.43 0.36 0.00 -0.26 0.00 0.00 64.21 64.80 1p1d n SER 101 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1p1d n SER 102 N 0.20 4.82 -0.04 4.04 3.41 -1.26 -4.20 113.62 120.60 1p1d n SER 102 Ca 0.19 -2.48 -0.12 0.00 -0.26 0.00 0.00 58.87 56.19 1p1d n SER 102 Cb 0.72 -0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1p1d n SER 102 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1p1d h ILE 103 N 4.06 1.30 -0.21 -1.33 2.04 -1.90 -2.91 117.51 118.57 1p1d h ILE 103 Ca 0.00 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1p1d h ILE 103 Cb 1.48 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 1p1d h ILE 103 CO 0.25 0.28 0.00 0.35 0.00 0.00 0.00 178.15 179.03 1p1d n THR 104 N -4.74 0.27 -2.14 -0.27 -2.24 -1.26 -4.90 114.28 99.00 1p1d n THR 104 Ca -0.06 -0.38 -0.20 0.00 -2.27 0.00 0.00 64.05 61.14 1p1d n THR 104 Cb 0.25 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1p1d n THR 104 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1p1d n SER 105 N 0.36 -5.61 -3.60 3.42 3.41 -1.10 -4.92 113.62 105.58 1p1d n SER 105 Ca 0.15 0.16 -0.08 0.00 -0.26 0.00 0.00 58.87 58.84 1p1d n SER 105 Cb 0.32 -4.77 -0.05 0.00 -0.26 0.00 0.00 64.21 59.45 1p1d n SER 105 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1p1d s LYS 106 N -4.61 0.46 -0.14 4.33 2.20 -1.26 -2.00 119.74 118.72 1p1d s LYS 106 Ca 0.00 0.15 -0.08 0.00 -0.36 0.00 0.00 55.97 55.68 1p1d s LYS 106 Cb 0.00 0.22 0.05 0.00 -1.51 0.00 0.00 37.83 36.59 1p1d s LYS 106 CO 0.00 -0.13 0.35 0.08 -0.36 0.00 0.00 175.35 175.28 1p1d s VAL 107 N -0.94 -0.03 -0.15 4.02 1.01 0.35 -4.84 120.40 119.83 1p1d s VAL 107 Ca 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 1p1d s VAL 107 Cb -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1p1d s VAL 107 CO -0.02 0.04 -0.04 0.42 0.00 0.00 0.00 175.10 175.50 1p1d s THR 108 N 1.19 3.85 0.13 3.92 -4.23 -1.26 -0.12 115.64 119.12 1p1d s THR 108 Ca -0.08 -0.38 -0.01 0.00 -1.18 0.00 0.00 61.69 60.04 1p1d s THR 108 Cb -0.08 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 1p1d s THR 108 CO -0.10 0.50 0.06 -1.48 -0.54 0.00 0.00 174.62 173.06 1p1d s LEU 109 N 0.28 1.79 0.04 4.79 2.34 -0.65 -0.16 118.68 127.10 1p1d s LEU 109 Ca -0.04 -1.18 0.06 0.00 0.06 0.00 0.00 54.13 53.04 1p1d s LEU 109 Cb -0.14 0.33 -0.03 0.00 -0.56 0.00 0.00 46.19 45.78 1p1d s LEU 109 CO 0.03 -0.73 -0.14 -1.61 -1.06 0.00 0.00 176.35 172.84 1p1d s GLU 110 N -4.04 2.20 0.08 1.48 0.41 -0.57 0.70 118.70 118.96 1p1d s GLU 110 Ca 0.23 -0.92 0.01 0.00 -0.41 0.00 0.00 54.97 53.87 1p1d s GLU 110 Cb 0.07 -2.28 -0.04 0.00 -1.78 0.00 0.00 34.13 30.10 1p1d s GLU 110 CO 0.01 0.55 -0.05 0.96 -0.49 0.00 0.00 175.26 176.24 1p1d s ILE 111 N -0.98 0.51 0.06 -1.63 -4.36 -0.13 0.74 121.20 115.40 1p1d s ILE 111 Ca 0.16 -1.88 0.08 0.00 -0.26 0.00 0.00 60.65 58.75 1p1d s ILE 111 Cb -0.11 -1.61 -0.03 0.00 1.25 0.00 0.00 42.46 41.96 1p1d s ILE 111 CO 0.07 -0.92 -0.22 -0.70 0.24 0.00 0.00 174.94 173.41 1p1d s GLU 112 N -3.85 1.39 0.31 0.37 -6.30 -1.07 -0.73 118.70 108.80 1p1d s GLU 112 Ca 0.10 -1.05 -0.19 0.00 -2.50 0.00 0.00 54.97 51.33 1p1d s GLU 112 Cb 0.06 -1.58 0.04 0.00 0.00 0.00 0.00 34.13 32.66 1p1d s GLU 112 CO -0.07 0.39 0.79 -0.59 0.02 0.00 0.00 175.26 175.80 1p1d s PHE 113 N -0.91 -0.04 -0.16 5.30 -0.12 -0.74 -4.66 117.98 116.65 1p1d s PHE 113 Ca 0.08 -0.50 -0.13 0.00 -0.05 0.00 0.00 56.93 56.34 1p1d s PHE 113 Cb -0.09 0.76 -0.05 0.00 -0.63 0.00 0.00 43.02 43.01 1p1d s PHE 113 CO 0.03 -1.33 0.25 -0.51 -0.05 0.00 0.00 175.22 173.61 1p1d s ASP 114 N -3.02 6.40 0.25 1.98 1.11 -1.26 -2.20 116.67 119.93 1p1d s ASP 114 Ca 0.14 0.47 -0.19 0.00 0.18 0.00 0.00 52.55 53.14 1p1d s ASP 114 Cb -0.05 -2.16 -0.08 0.00 1.07 0.00 0.00 42.92 41.70 1p1d s ASP 114 CO 0.08 0.15 0.73 0.68 1.18 0.00 0.00 175.17 178.00 1p1d s VAL 115 N 0.27 4.58 0.00 -1.27 -7.23 -1.26 -4.84 120.40 110.65 1p1d s VAL 115 Ca 0.15 1.23 0.00 0.00 -1.81 0.00 0.00 61.98 61.55 1p1d s VAL 115 Cb -0.13 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 33.00 1p1d s VAL 115 CO 0.03 0.12 0.00 0.00 -0.31 0.00 0.00 175.10 174.94 1p1d n ALA 116 N 0.49 -2.57 -2.07 1.32 0.00 0.41 -4.53 120.51 113.57 1p1d n ALA 116 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 1p1d n ALA 116 Cb 0.51 -0.15 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 1p1d n ALA 116 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1p1d n GLU 117 N 0.43 0.00 0.00 0.00 0.28 -1.26 -5.01 120.64 115.08 1p1d n GLU 117 Ca 0.00 -0.74 0.00 0.00 -0.16 0.00 0.00 57.16 56.26 1p1d n GLU 117 Cb 0.00 0.06 0.00 0.00 1.43 0.00 0.00 31.44 32.93 1p1d n GLU 117 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1p1d n SER 118 N 0.07 0.00 -3.77 -1.84 2.88 -1.26 -5.06 113.62 104.63 1p1d n SER 118 Ca -0.08 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.33 1p1d n SER 118 Cb 0.68 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 64.00 1p1d n SER 118 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1p1d s VAL 119 N 0.00 -0.04 -0.44 2.46 1.01 -1.26 -3.19 120.40 118.94 1p1d s VAL 119 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1p1d s VAL 119 Cb 0.00 -0.17 0.15 0.00 0.00 0.00 0.00 36.38 36.36 1p1d s VAL 119 CO 0.00 0.07 0.29 0.27 0.00 0.00 0.00 175.10 175.73 1p1d s ILE 120 N 0.96 0.93 0.60 2.22 -5.25 -0.21 -5.02 121.20 115.44 1p1d s ILE 120 Ca -0.08 -2.55 0.04 0.00 -0.99 0.00 0.00 60.65 57.07 1p1d s ILE 120 Cb -0.10 -1.65 0.08 0.00 2.95 0.00 0.00 42.46 43.74 1p1d s ILE 120 CO -0.04 -1.03 0.82 -2.16 -1.79 0.00 0.00 174.94 170.74 1p1d s PRO 121 N 0.26 2.22 0.00 0.37 0.04 -1.26 -2.35 135.00 134.28 1p1d s PRO 121 Ca 0.23 -1.22 0.00 0.00 0.04 0.00 0.00 61.00 60.05 1p1d s PRO 121 Cb -0.14 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1p1d s PRO 121 CO -0.07 -0.94 0.00 0.45 0.04 0.00 0.00 177.00 176.48 1p1d n SER 122 N -2.41 0.00 0.00 6.66 2.88 -1.25 -4.98 113.62 114.52 1p1d n SER 122 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1p1d n SER 122 Cb 0.60 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 64.27 1p1d n SER 122 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1p1d n SER 123 N -1.63 0.00 0.00 -3.46 3.41 -1.26 -4.97 113.62 105.71 1p1d n SER 123 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1p1d n SER 123 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1p1d n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p1d n GLY 124 N 0.00 2.77 2.69 5.00 0.00 -1.25 -4.90 105.19 109.49 1p1d n GLY 124 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1p1d n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p1d s THR 125 N -1.74 0.56 -0.20 2.61 2.01 -1.26 -2.07 115.64 115.57 1p1d s THR 125 Ca 0.00 -1.03 -0.07 0.00 0.31 0.00 0.00 61.69 60.90 1p1d s THR 125 Cb 0.00 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 1p1d s THR 125 CO 0.00 -0.57 0.06 0.12 -0.69 0.00 0.00 174.62 173.55 1p1d s PHE 126 N 1.79 3.20 -0.01 4.92 2.19 -0.03 -3.96 117.98 126.07 1p1d s PHE 126 Ca 0.07 -0.05 0.07 0.00 0.33 0.00 0.00 56.93 57.35 1p1d s PHE 126 Cb -0.17 -2.11 -0.02 0.00 -1.31 0.00 0.00 43.02 39.40 1p1d s PHE 126 CO -0.23 0.03 -0.23 -1.01 1.83 0.00 0.00 175.22 175.60 1p1d s HIS 127 N 0.67 2.43 -0.27 10.12 3.76 -0.99 0.10 115.29 131.11 1p1d s HIS 127 Ca 0.03 -0.36 -0.00 0.00 -0.15 0.00 0.00 55.06 54.58 1p1d s HIS 127 Cb -0.13 -1.51 0.08 0.00 1.11 0.00 0.00 32.58 32.13 1p1d s HIS 127 CO 0.02 0.06 0.04 0.14 -0.85 0.00 0.00 174.74 174.15 1p1d s VAL 128 N -0.69 1.15 -0.62 -0.90 -7.23 -0.73 -1.04 120.40 110.34 1p1d s VAL 128 Ca 0.11 -1.32 -0.28 0.00 -1.81 0.00 0.00 61.98 58.69 1p1d s VAL 128 Cb -0.10 -1.71 0.03 0.00 0.56 0.00 0.00 36.38 35.16 1p1d s VAL 128 CO 0.00 -0.44 1.19 -0.54 -0.31 0.00 0.00 175.10 175.01 1p1d s LYS 129 N 1.52 3.41 -0.06 4.82 1.02 -1.19 -2.05 119.74 127.21 1p1d s LYS 129 Ca 0.04 0.08 0.03 0.00 0.02 0.00 0.00 55.97 56.14 1p1d s LYS 129 Cb -0.18 -4.06 -0.03 0.00 -0.52 0.00 0.00 37.83 33.04 1p1d s LYS 129 CO -0.15 -1.79 -0.14 -0.51 -0.92 0.00 0.00 175.35 171.84 1p1d s LEU 130 N 5.07 2.77 -0.34 3.17 1.02 -0.16 -4.65 118.68 125.56 1p1d s LEU 130 Ca 0.40 -0.19 -0.28 0.00 0.02 0.00 0.00 54.13 54.07 1p1d s LEU 130 Cb -0.08 -1.57 -0.02 0.00 0.02 0.00 0.00 46.19 44.54 1p1d s LEU 130 CO 0.22 0.33 1.86 -2.84 0.02 0.00 0.00 176.35 175.94 1p1d s PRO 131 N -0.64 3.23 0.56 1.29 0.02 -1.26 -0.80 135.00 137.40 1p1d s PRO 131 Ca 0.10 1.43 -0.11 0.00 0.02 0.00 0.00 61.00 62.44 1p1d s PRO 131 Cb -0.11 -4.24 -0.05 0.00 0.02 0.00 0.00 34.50 30.12 1p1d s PRO 131 CO 0.01 -1.98 0.95 0.15 -0.33 0.00 0.00 177.00 175.80 1p1d s LYS 132 N 5.89 3.66 0.00 5.54 -0.14 -0.78 -4.89 119.74 129.02 1p1d s LYS 132 Ca 0.81 0.65 0.00 0.00 -1.36 0.00 0.00 55.97 56.08 1p1d s LYS 132 Cb -0.23 -2.17 0.00 0.00 -1.68 0.00 0.00 37.83 33.75 1p1d s LYS 132 CO 0.33 -0.40 0.00 0.36 -0.76 0.00 0.00 175.35 174.87 1p1d n LYS 133 N -2.34 1.75 0.00 1.68 0.00 -1.26 -4.37 118.16 113.62 1p1d n LYS 133 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1p1d n LYS 133 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.57 1p1d n LYS 133 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1p1d n HIS 134 N 0.00 0.00 -2.94 5.58 -0.00 -1.26 -4.75 115.22 111.86 1p1d n HIS 134 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 1p1d n HIS 134 Cb 0.00 -0.19 -0.01 0.00 -0.12 0.00 0.00 29.99 29.67 1p1d n HIS 134 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1p1d n SER 135 N -1.07 -2.08 -4.24 0.26 7.64 -1.26 -5.00 113.62 107.87 1p1d n SER 135 Ca 0.00 -2.94 -0.21 0.00 1.01 0.00 0.00 58.87 56.73 1p1d n SER 135 Cb 0.00 0.96 -0.12 0.00 -1.01 0.00 0.00 64.21 64.04 1p1d n SER 135 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1p1d s VAL 136 N 0.27 1.44 -0.74 0.44 1.01 -1.26 -5.05 120.40 116.50 1p1d s VAL 136 Ca 0.32 -1.52 -0.25 0.00 0.00 0.00 0.00 61.98 60.53 1p1d s VAL 136 Cb 0.13 -1.40 -0.16 0.00 0.00 0.00 0.00 36.38 34.95 1p1d s VAL 136 CO -0.16 -0.20 2.44 -1.84 0.00 0.00 0.00 175.10 175.34 1p1d n GLU 137 N 0.99 0.56 -0.30 2.72 0.28 -1.26 -4.76 120.64 118.86 1p1d n GLU 137 Ca -0.19 -0.22 0.09 0.00 -0.16 0.00 0.00 57.16 56.68 1p1d n GLU 137 Cb 0.55 -2.77 0.31 0.00 1.43 0.00 0.00 31.44 30.95 1p1d n GLU 137 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1p1d h LEU 138 N 17.65 0.79 0.00 -1.84 6.46 -1.96 -3.47 115.31 132.93 1p1d h LEU 138 Ca -0.10 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1p1d h LEU 138 Cb 1.19 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 1p1d h LEU 138 CO 1.23 0.44 0.00 0.61 -0.62 0.00 0.00 178.44 180.10 1p1d n GLY 139 N -1.40 3.22 3.81 3.75 0.00 -1.26 -3.73 105.19 109.58 1p1d n GLY 139 Ca 0.17 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 1p1d n GLY 139 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1p1d s ILE 140 N -0.05 4.38 -0.15 -0.61 -4.36 -1.26 0.05 121.20 119.21 1p1d s ILE 140 Ca 0.00 1.53 0.00 0.00 -0.26 0.00 0.00 60.65 61.92 1p1d s ILE 140 Cb 0.00 -3.83 0.03 0.00 1.25 0.00 0.00 42.46 39.90 1p1d s ILE 140 CO 0.00 0.01 -0.11 -0.89 0.24 0.00 0.00 174.94 174.18 1p1d s THR 141 N -1.78 1.40 0.69 8.37 2.01 0.19 -4.94 115.64 121.58 1p1d s THR 141 Ca 0.52 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 61.82 1p1d s THR 141 Cb -0.15 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 70.99 1p1d s THR 141 CO 0.20 0.37 1.07 -0.63 -0.69 0.00 0.00 174.62 174.94 1p1d s ILE 142 N 1.55 3.63 0.09 1.82 1.09 -1.26 0.13 121.20 128.25 1p1d s ILE 142 Ca 0.04 0.48 -0.27 0.00 -1.10 0.00 0.00 60.65 59.80 1p1d s ILE 142 Cb -0.13 -3.52 0.08 0.00 -1.06 0.00 0.00 42.46 37.83 1p1d s ILE 142 CO -0.10 -0.67 0.97 -0.55 -0.10 0.00 0.00 174.94 174.50 1p1d s SER 143 N -4.34 -0.22 -0.06 3.58 0.15 -0.54 -4.53 113.70 107.75 1p1d s SER 143 Ca 0.57 -0.26 0.04 0.00 0.70 0.00 0.00 55.95 57.01 1p1d s SER 143 Cb -0.11 0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 64.61 1p1d s SER 143 CO 0.51 -0.76 -0.19 -0.55 1.20 0.00 0.00 173.24 173.45 1p1d s SER 144 N -2.80 3.59 0.29 5.45 0.15 -1.26 -1.61 113.70 117.51 1p1d s SER 144 Ca 0.10 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.41 1p1d s SER 144 Cb -0.01 -0.88 0.55 0.00 -1.71 0.00 0.00 66.02 63.97 1p1d s SER 144 CO -0.02 0.29 1.86 -0.65 1.20 0.00 0.00 173.24 175.92 1p1d h PRO 145 N 5.78 0.98 0.00 5.44 0.11 -1.96 -3.47 132.00 138.88 1p1d h PRO 145 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1p1d h PRO 145 Cb 1.16 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1p1d h PRO 145 CO 0.50 0.65 0.00 0.45 -0.21 0.00 0.00 178.00 179.39 1p1d n SER 146 N -4.57 0.00 -2.60 -2.05 2.88 -1.26 -5.06 113.62 100.96 1p1d n SER 146 Ca 0.17 -0.63 -0.07 0.00 -1.33 0.00 0.00 58.87 57.01 1p1d n SER 146 Cb 0.31 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.81 1p1d n SER 146 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1p1d n SER 147 N -0.34 2.57 -2.71 -3.46 7.64 -1.26 -4.92 113.62 111.13 1p1d n SER 147 Ca 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 58.87 57.28 1p1d n SER 147 Cb 0.00 -0.44 0.04 0.00 -1.01 0.00 0.00 64.21 62.80 1p1d n SER 147 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1p1d n ARG 148 N -0.62 0.42 -3.51 1.43 0.00 -1.26 -5.16 116.66 107.95 1p1d n ARG 148 Ca 0.18 -1.34 -0.14 0.00 -0.00 0.00 0.00 57.85 56.54 1p1d n ARG 148 Cb 0.85 -0.82 -0.05 0.00 -0.00 0.00 0.00 32.46 32.44 1p1d n ARG 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1p1d s LYS 149 N 0.65 0.97 0.48 2.89 0.00 -1.26 -5.04 119.74 118.43 1p1d s LYS 149 Ca 0.28 0.03 0.23 0.00 0.00 0.00 0.00 55.97 56.52 1p1d s LYS 149 Cb 0.15 0.45 1.22 0.00 0.00 0.00 0.00 37.83 39.65 1p1d s LYS 149 CO -0.13 -0.34 1.99 -1.00 0.00 0.00 0.00 175.35 175.86 1p1d h PRO 150 N 2.60 0.00 0.00 1.78 0.13 -2.02 -3.32 132.00 131.16 1p1d h PRO 150 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1p1d h PRO 150 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1p1d h PRO 150 CO 0.36 0.18 -0.03 0.78 -0.23 0.00 0.00 178.00 179.07 1p1d h GLY 151 N 1.05 0.00 -5.96 1.56 0.00 -1.96 -3.49 103.07 94.28 1p1d h GLY 151 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 1p1d h GLY 151 CO 0.02 0.00 -0.82 1.34 0.00 0.00 0.00 176.54 177.08 1p1d n ASP 152 N -2.63 -1.71 -3.01 0.19 2.03 -1.25 -4.78 116.55 105.39 1p1d n ASP 152 Ca -0.00 -0.77 -0.15 0.00 0.52 0.00 0.00 54.79 54.38 1p1d n ASP 152 Cb 0.01 -4.35 0.11 0.00 -0.72 0.00 0.00 41.12 36.17 1p1d n ASP 152 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1p1d n PRO 153 N -4.19 -0.67 -4.12 -0.67 -0.04 -1.26 -4.47 135.00 119.59 1p1d n PRO 153 Ca -0.28 -1.09 -0.33 0.00 -0.04 0.00 0.00 63.50 61.76 1p1d n PRO 153 Cb 0.67 -0.71 -0.07 0.00 -0.04 0.00 0.00 33.50 33.35 1p1d n PRO 153 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1p1d s LEU 154 N 0.00 3.85 0.33 1.53 2.01 -1.26 -4.48 118.68 120.66 1p1d s LEU 154 Ca 0.40 0.12 0.05 0.00 0.01 0.00 0.00 54.13 54.70 1p1d s LEU 154 Cb -0.01 -2.26 -0.02 0.00 0.01 0.00 0.00 46.19 43.91 1p1d s LEU 154 CO 0.28 0.27 0.33 0.68 1.01 0.00 0.00 176.35 178.91 1p1d s VAL 155 N -1.19 0.00 0.27 -1.59 -7.23 -0.63 0.92 120.40 110.94 1p1d s VAL 155 Ca 0.23 -1.89 -0.04 0.00 -1.81 0.00 0.00 61.98 58.47 1p1d s VAL 155 Cb -0.12 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 1p1d s VAL 155 CO 0.14 0.00 0.52 -0.63 -0.31 0.00 0.00 175.10 174.82 1p1d s ILE 156 N -3.34 5.06 0.00 -0.62 -1.09 -1.26 -1.46 121.20 118.49 1p1d s ILE 156 Ca 0.38 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1p1d s ILE 156 Cb 0.02 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 1p1d s ILE 156 CO 0.25 -0.30 0.00 -0.24 -1.23 0.00 0.00 174.94 173.42 1p1d n SER 157 N -0.91 2.35 -3.61 3.58 2.88 0.35 -4.52 113.62 113.75 1p1d n SER 157 Ca -0.02 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.49 1p1d n SER 157 Cb 0.54 0.31 -0.02 0.00 -0.75 0.00 0.00 64.21 64.29 1p1d n SER 157 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1p1d s ASP 158 N -1.62 -0.09 0.02 -3.46 2.15 -1.14 -4.95 116.67 107.58 1p1d s ASP 158 Ca 0.00 -0.02 -0.01 0.00 0.43 0.00 0.00 52.55 52.95 1p1d s ASP 158 Cb 0.00 0.11 -0.02 0.00 -0.30 0.00 0.00 42.92 42.71 1p1d s ASP 158 CO 0.00 -0.18 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.18 1p1d s ILE 159 N -2.31 0.10 0.07 4.11 1.01 -1.24 0.53 121.20 123.46 1p1d s ILE 159 Ca 0.11 -0.80 0.09 0.00 0.00 0.00 0.00 60.65 60.05 1p1d s ILE 159 Cb 0.00 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 1p1d s ILE 159 CO -0.04 -0.44 -0.24 -0.75 0.00 0.00 0.00 174.94 173.46 1p1d s LYS 160 N -1.32 1.76 0.65 2.79 2.36 0.11 -4.93 119.74 121.16 1p1d s LYS 160 Ca -0.14 -1.15 -0.08 0.00 -2.55 0.00 0.00 55.97 52.04 1p1d s LYS 160 Cb -0.09 -2.01 0.01 0.00 -1.05 0.00 0.00 37.83 34.70 1p1d s LYS 160 CO -0.01 0.50 1.00 0.21 1.55 0.00 0.00 175.35 178.60 1p1d s LYS 161 N -1.53 2.85 0.00 4.03 2.20 -1.26 -3.72 119.74 122.30 1p1d s LYS 161 Ca 0.13 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 1p1d s LYS 161 Cb -0.10 -2.15 0.00 0.00 -1.51 0.00 0.00 37.83 34.07 1p1d s LYS 161 CO 0.04 -0.88 0.00 0.41 -0.36 0.00 0.00 175.35 174.56 1p1d n GLY 162 N -2.80 3.05 3.71 5.54 0.00 -1.26 -4.93 105.19 108.50 1p1d n GLY 162 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1p1d n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p1d s SER 163 N -1.20 5.26 0.63 1.61 0.01 -1.26 -4.61 113.70 114.14 1p1d s SER 163 Ca 0.00 -0.01 0.24 0.00 1.31 0.00 0.00 55.95 57.49 1p1d s SER 163 Cb 0.00 -1.39 1.20 0.00 0.21 0.00 0.00 66.02 66.04 1p1d s SER 163 CO 0.00 0.24 1.66 -0.37 0.41 0.00 0.00 173.24 175.19 1p1d h VAL 164 N 3.22 0.11 0.00 3.43 -1.51 -1.90 -1.65 116.25 117.94 1p1d h VAL 164 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1p1d h VAL 164 Cb 1.17 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 1p1d h VAL 164 CO 0.60 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.94 1p1d n ALA 165 N -2.00 -0.29 0.21 5.19 0.00 -1.24 -1.37 120.51 121.01 1p1d n ALA 165 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.57 1p1d n ALA 165 Cb 0.73 0.17 0.43 0.00 0.00 0.00 0.00 19.45 20.78 1p1d n ALA 165 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1p1d h HIS 166 N 0.00 0.00 -0.38 0.00 6.17 -1.57 -2.88 115.15 116.49 1p1d h HIS 166 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 60.37 61.17 1p1d h HIS 166 Cb 0.00 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 29.91 1p1d h HIS 166 CO -0.16 0.27 0.27 -0.09 0.71 0.00 0.00 177.93 178.92 1p1d h ARG 167 N 0.00 0.11 -0.93 5.26 9.65 -1.05 -2.26 114.38 125.15 1p1d h ARG 167 Ca -0.00 -0.01 0.27 0.00 -1.10 0.00 0.00 59.98 59.14 1p1d h ARG 167 Cb 0.77 -0.03 -0.15 0.00 -1.39 0.00 0.00 29.97 29.18 1p1d h ARG 167 CO 0.04 0.07 0.37 1.79 2.80 0.00 0.00 179.97 185.04 1p1d h THR 168 N 0.11 0.30 0.00 0.20 1.35 -0.99 1.20 112.91 115.09 1p1d h THR 168 Ca 0.18 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1p1d h THR 168 Cb 0.56 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1p1d h THR 168 CO -0.02 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1p1d n GLY 169 N -1.35 2.27 2.11 5.82 0.00 -0.85 -1.68 105.19 111.51 1p1d n GLY 169 Ca 0.26 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 1p1d n GLY 169 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1p1d n THR 170 N 0.00 3.11 -3.93 2.61 5.66 -1.26 -4.82 114.28 115.65 1p1d n THR 170 Ca 0.00 -2.05 -0.33 0.00 -3.05 0.00 0.00 64.05 58.62 1p1d n THR 170 Cb 0.00 -0.86 -0.14 0.00 -1.55 0.00 0.00 70.33 67.79 1p1d n THR 170 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1p1d s LEU 171 N -2.99 4.96 0.00 1.09 0.20 -1.26 -5.09 118.68 115.58 1p1d s LEU 171 Ca 0.51 -2.12 0.05 0.00 0.69 0.00 0.00 54.13 53.27 1p1d s LEU 171 Cb 0.42 -1.71 0.05 0.00 -0.43 0.00 0.00 46.19 44.52 1p1d s LEU 171 CO 0.05 -0.44 0.44 -0.62 -0.29 0.00 0.00 176.35 175.48 1p1d n GLU 172 N 4.37 0.65 -4.15 1.98 1.02 -1.26 -4.97 120.64 118.28 1p1d n GLU 172 Ca 0.02 -3.52 -0.31 0.00 -0.02 0.00 0.00 57.16 53.33 1p1d n GLU 172 Cb 0.42 0.35 -0.08 0.00 -0.02 0.00 0.00 31.44 32.11 1p1d n GLU 172 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1p1d s LEU 173 N 0.00 3.55 0.00 -4.62 1.43 -1.26 -4.55 118.68 113.22 1p1d s LEU 173 Ca 0.33 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1p1d s LEU 173 Cb -0.03 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1p1d s LEU 173 CO 0.21 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.60 1p1d n GLY 174 N 0.75 0.85 3.88 -3.19 0.00 -1.26 -5.01 105.19 101.21 1p1d n GLY 174 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1p1d n GLY 174 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p1d s ASP 175 N -1.93 3.19 0.14 1.61 -1.08 -1.26 -4.94 116.67 112.41 1p1d s ASP 175 Ca 0.00 0.47 0.10 0.00 -0.52 0.00 0.00 52.55 52.60 1p1d s ASP 175 Cb 0.00 -0.67 -0.04 0.00 -1.46 0.00 0.00 42.92 40.75 1p1d s ASP 175 CO 0.00 -2.70 -0.19 -0.54 0.52 0.00 0.00 175.17 172.26 1p1d s LYS 176 N -5.72 1.72 0.43 4.34 -0.14 -1.26 -4.12 119.74 114.99 1p1d s LYS 176 Ca 0.70 -1.29 0.08 0.00 -1.36 0.00 0.00 55.97 54.11 1p1d s LYS 176 Cb -0.07 -2.04 0.01 0.00 -1.68 0.00 0.00 37.83 34.05 1p1d s LYS 176 CO 0.53 0.45 0.54 -1.17 -0.76 0.00 0.00 175.35 174.94 1p1d s LEU 177 N -2.34 3.54 0.00 3.17 0.20 0.26 0.12 118.68 123.63 1p1d s LEU 177 Ca 0.19 -0.54 0.00 0.00 0.69 0.00 0.00 54.13 54.47 1p1d s LEU 177 Cb -0.10 -2.42 0.00 0.00 -0.43 0.00 0.00 46.19 43.24 1p1d s LEU 177 CO 0.10 -0.79 0.00 -0.11 -0.29 0.00 0.00 176.35 175.27 1p1d n LEU 178 N -1.81 0.00 -4.01 -0.68 -0.00 0.33 -4.36 117.00 106.47 1p1d n LEU 178 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.99 1p1d n LEU 178 Cb 0.60 0.10 -0.06 0.00 -0.00 0.00 0.00 43.42 44.06 1p1d n LEU 178 CO 0.40 -0.24 0.12 0.00 -0.00 0.00 0.00 177.39 177.66 1p1d s ALA 179 N -1.49 -0.08 -0.12 1.96 0.00 -1.22 -2.47 121.76 118.35 1p1d s ALA 179 Ca 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 1p1d s ALA 179 Cb 0.00 1.08 0.05 0.00 0.00 0.00 0.00 23.12 24.25 1p1d s ALA 179 CO 0.00 -0.80 0.07 0.42 0.00 0.00 0.00 175.76 175.45 1p1d s ILE 180 N -4.02 -0.06 0.00 0.00 1.01 0.13 -1.45 121.20 116.82 1p1d s ILE 180 Ca 0.23 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.95 1p1d s ILE 180 Cb 0.01 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 42.06 1p1d s ILE 180 CO 0.08 -0.07 0.00 -0.67 0.00 0.00 0.00 174.94 174.28 1p1d n ASP 181 N 5.27 0.00 0.00 3.58 2.03 0.11 -0.91 116.55 126.63 1p1d n ASP 181 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1p1d n ASP 181 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1p1d n ASP 181 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1p1d n ASN 182 N 1.66 1.40 -4.72 1.67 3.02 -1.26 -4.85 115.26 112.18 1p1d n ASN 182 Ca 0.00 -0.14 -0.35 0.00 -0.03 0.00 0.00 54.58 54.05 1p1d n ASN 182 Cb 0.00 0.57 -0.08 0.00 -0.61 0.00 0.00 39.78 39.65 1p1d n ASN 182 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1p1d s ILE 183 N -0.85 5.05 -0.35 2.41 -1.09 -0.09 -5.07 121.20 121.21 1p1d s ILE 183 Ca 0.00 0.05 -0.13 0.00 -2.23 0.00 0.00 60.65 58.34 1p1d s ILE 183 Cb 0.00 -3.25 -0.01 0.00 -1.58 0.00 0.00 42.46 37.62 1p1d s ILE 183 CO 0.00 0.51 0.25 -0.13 -1.23 0.00 0.00 174.94 174.34 1p1d s ARG 184 N -0.12 3.40 0.37 2.79 0.52 -1.26 0.23 118.95 124.88 1p1d s ARG 184 Ca 0.08 -0.71 0.27 0.00 -0.52 0.00 0.00 55.73 54.86 1p1d s ARG 184 Cb -0.12 -3.83 1.04 0.00 0.52 0.00 0.00 34.95 32.56 1p1d s ARG 184 CO 0.01 -0.49 1.81 -0.07 0.02 0.00 0.00 175.30 176.57 1p1d h LEU 185 N 8.51 0.00 0.00 2.53 -0.00 -1.87 -3.46 115.31 121.02 1p1d h LEU 185 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 1p1d h LEU 185 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1p1d h LEU 185 CO 0.65 0.00 0.00 -0.67 -0.00 0.00 0.00 178.44 178.42 1p1d n ASP 186 N -2.63 0.00 -0.80 -0.43 -0.08 -1.03 -0.21 116.55 111.38 1p1d n ASP 186 Ca 0.02 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.29 1p1d n ASP 186 Cb 0.31 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.75 1p1d n ASP 186 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1p1d n SER 187 N 1.12 -0.15 -2.54 1.67 7.64 -1.26 -4.84 113.62 115.26 1p1d n SER 187 Ca 0.00 -1.63 -0.03 0.00 1.01 0.00 0.00 58.87 58.22 1p1d n SER 187 Cb 0.00 0.01 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1p1d n SER 187 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p1d s SER 189 N -1.76 2.74 0.05 0.00 0.01 -1.26 -4.80 113.70 108.67 1p1d s SER 189 Ca 0.08 1.46 -0.17 0.00 1.31 0.00 0.00 55.95 58.63 1p1d s SER 189 Cb -0.01 -2.13 -0.19 0.00 0.21 0.00 0.00 66.02 63.90 1p1d s SER 189 CO 0.06 -3.10 1.21 0.00 0.41 0.00 0.00 173.24 171.82 1p1d h MET 190 N -1.86 0.57 -0.70 12.44 -0.00 -1.92 -3.18 114.93 120.28 1p1d h MET 190 Ca -0.53 -0.51 0.17 0.00 -0.00 0.00 0.00 59.70 58.84 1p1d h MET 190 Cb 1.30 0.12 -0.04 0.00 -0.00 0.00 0.00 31.60 32.99 1p1d h MET 190 CO 0.54 1.13 0.49 0.93 -0.00 0.00 0.00 176.91 180.00 1p1d h GLU 191 N 0.18 0.17 -0.16 -0.10 5.08 -1.98 -0.15 114.58 117.62 1p1d h GLU 191 Ca -0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1p1d h GLU 191 Cb 1.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1p1d h GLU 191 CO 0.13 0.11 0.07 -0.44 -1.00 0.00 0.00 179.01 177.88 1p1d h ASP 192 N 0.18 0.21 -0.98 1.42 3.32 -1.93 -1.03 116.42 117.60 1p1d h ASP 192 Ca 0.34 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.28 1p1d h ASP 192 Cb 1.09 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 1p1d h ASP 192 CO -0.06 0.29 0.65 0.00 -1.72 0.00 0.00 179.24 178.40 1p1d h ALA 193 N 0.93 1.34 -0.34 3.45 0.00 -1.11 -0.32 119.26 123.21 1p1d h ALA 193 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1p1d h ALA 193 Cb 0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1p1d h ALA 193 CO -0.01 0.57 0.01 0.28 0.00 0.00 0.00 179.25 180.10 1p1d h VAL 194 N 1.27 1.19 0.03 0.00 2.07 -1.06 0.23 116.25 119.97 1p1d h VAL 194 Ca 0.38 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1p1d h VAL 194 Cb -0.04 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1p1d h VAL 194 CO -0.11 0.26 -0.01 1.56 0.02 0.00 0.00 177.57 179.29 1p1d h GLN 195 N 0.50 -0.04 0.00 1.57 7.50 0.27 -1.69 115.11 123.23 1p1d h GLN 195 Ca 0.11 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.21 1p1d h GLN 195 Cb 0.31 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 1p1d h GLN 195 CO 0.01 0.05 -0.24 0.82 -1.50 0.00 0.00 178.83 177.96 1p1d h ILE 196 N -0.11 0.65 -0.29 2.54 5.03 -1.03 -2.37 117.51 121.93 1p1d h ILE 196 Ca -0.00 -1.09 -0.05 0.00 -0.12 0.00 0.00 64.86 63.59 1p1d h ILE 196 Cb 0.10 1.71 -0.02 0.00 -3.03 0.00 0.00 36.82 35.58 1p1d h ILE 196 CO 0.01 0.24 -0.04 0.25 -0.68 0.00 0.00 178.15 177.92 1p1d h LEU 197 N 0.00 0.43 0.16 1.44 5.85 0.30 0.55 115.31 124.04 1p1d h LEU 197 Ca -0.00 -0.09 -0.36 0.00 0.84 0.00 0.00 57.88 58.27 1p1d h LEU 197 Cb 0.69 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 1p1d h LEU 197 CO 0.03 0.53 -1.87 1.56 -0.34 0.00 0.00 178.44 178.36 1p1d h GLN 198 N 0.44 0.33 -0.45 1.25 4.20 -1.07 -3.32 115.11 116.49 1p1d h GLN 198 Ca 0.09 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1p1d h GLN 198 Cb 0.36 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1p1d h GLN 198 CO 0.02 1.26 0.00 0.00 -0.67 0.00 0.00 178.83 179.44 1p1d n GLN 199 N -3.53 1.80 -0.04 1.46 -0.00 -0.92 -4.52 117.38 111.63 1p1d n GLN 199 Ca -0.28 -0.92 0.00 0.00 -0.00 0.00 0.00 57.00 55.80 1p1d n GLN 199 Cb 1.06 -1.37 0.00 0.00 -0.00 0.00 0.00 30.24 29.93 1p1d n GLN 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1p1d n GLU 201 N 1.27 -0.89 -1.75 0.00 0.28 -1.26 0.10 120.64 118.39 1p1d n GLU 201 Ca 0.00 0.35 -0.05 0.00 -0.16 0.00 0.00 57.16 57.30 1p1d n GLU 201 Cb 0.11 -1.35 -0.01 0.00 1.43 0.00 0.00 31.44 31.62 1p1d n GLU 201 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1p1d n ASP 202 N -1.38 -1.71 -3.28 -1.84 9.92 -1.26 -4.81 116.55 112.18 1p1d n ASP 202 Ca -0.18 0.24 -0.07 0.00 -0.53 0.00 0.00 54.79 54.24 1p1d n ASP 202 Cb 0.42 -1.73 -0.04 0.00 -0.64 0.00 0.00 41.12 39.13 1p1d n ASP 202 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1p1d s LEU 203 N -3.84 -0.86 -0.44 0.64 1.43 0.28 -1.87 118.68 114.02 1p1d s LEU 203 Ca 0.00 -0.86 -0.17 0.00 -1.03 0.00 0.00 54.13 52.07 1p1d s LEU 203 Cb 0.00 1.28 0.03 0.00 0.03 0.00 0.00 46.19 47.53 1p1d s LEU 203 CO 0.00 -0.26 0.45 0.54 0.23 0.00 0.00 176.35 177.31 1p1d s VAL 204 N 1.98 5.09 -0.41 -1.59 0.11 0.02 -4.67 120.40 120.92 1p1d s VAL 204 Ca 0.14 -0.50 -0.11 0.00 -2.93 0.00 0.00 61.98 58.58 1p1d s VAL 204 Cb -0.10 -4.08 0.06 0.00 -1.53 0.00 0.00 36.38 30.72 1p1d s VAL 204 CO -0.14 -0.50 0.26 -0.75 -3.33 0.00 0.00 175.10 170.65 1p1d s LYS 205 N 2.10 2.76 -0.37 1.54 2.20 -1.25 -0.99 119.74 125.72 1p1d s LYS 205 Ca 0.11 -1.29 -0.26 0.00 -0.36 0.00 0.00 55.97 54.17 1p1d s LYS 205 Cb -0.19 -3.83 0.02 0.00 -1.51 0.00 0.00 37.83 32.32 1p1d s LYS 205 CO 0.12 -0.87 0.95 -0.51 -0.36 0.00 0.00 175.35 174.69 1p1d s LEU 206 N 1.52 3.97 -0.76 5.43 1.43 -0.87 0.09 118.68 129.48 1p1d s LEU 206 Ca 0.03 0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 53.58 1p1d s LEU 206 Cb -0.22 -3.31 0.17 0.00 0.03 0.00 0.00 46.19 42.87 1p1d s LEU 206 CO 0.05 -0.89 0.78 -0.75 0.23 0.00 0.00 176.35 175.77 1p1d s LYS 207 N 3.56 3.42 0.69 1.70 2.20 -0.53 -1.77 119.74 129.01 1p1d s LYS 207 Ca 0.39 -2.02 -0.07 0.00 -0.36 0.00 0.00 55.97 53.91 1p1d s LYS 207 Cb -0.12 -4.47 0.05 0.00 -1.51 0.00 0.00 37.83 31.78 1p1d s LYS 207 CO 0.19 -1.43 1.01 0.42 -0.36 0.00 0.00 175.35 175.18 1p1d s ILE 208 N 1.28 2.54 -0.16 5.43 -1.09 0.28 -0.52 121.20 128.96 1p1d s ILE 208 Ca 0.17 -0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.43 1p1d s ILE 208 Cb -0.15 -3.10 0.01 0.00 -1.58 0.00 0.00 42.46 37.65 1p1d s ILE 208 CO -0.05 -0.11 -0.19 -0.60 -1.23 0.00 0.00 174.94 172.76 1p1d s ARG 209 N -5.23 3.06 0.23 2.79 3.52 0.32 -0.85 118.95 122.80 1p1d s ARG 209 Ca 0.59 -0.82 0.05 0.00 -0.13 0.00 0.00 55.73 55.42 1p1d s ARG 209 Cb -0.11 -2.53 -0.03 0.00 -1.56 0.00 0.00 34.95 30.72 1p1d s ARG 209 CO 0.45 -0.07 0.32 0.15 -0.81 0.00 0.00 175.30 175.34 1p1d s LYS 210 N 0.98 3.32 -0.34 5.12 -0.14 -0.88 -4.06 119.74 123.74 1p1d s LYS 210 Ca -0.03 -0.81 0.08 0.00 -1.36 0.00 0.00 55.97 53.85 1p1d s LYS 210 Cb -0.15 -2.82 0.30 0.00 -1.68 0.00 0.00 37.83 33.48 1p1d s LYS 210 CO -0.05 0.43 1.29 -0.25 -0.76 0.00 0.00 175.35 176.01 1p1d n ASP 211 N -1.27 -1.53 -3.10 2.83 8.00 -1.26 -3.79 116.55 116.44 1p1d n ASP 211 Ca -0.09 -2.15 -0.07 0.00 0.71 0.00 0.00 54.79 53.20 1p1d n ASP 211 Cb 0.57 0.87 0.07 0.00 -0.02 0.00 0.00 41.12 42.60 1p1d n ASP 211 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1p1d n GLU 212 N -0.76 -1.77 -0.40 -1.24 0.28 -1.26 -5.14 120.64 110.35 1p1d n GLU 212 Ca -0.11 -0.33 0.00 0.00 -0.16 0.00 0.00 57.16 56.56 1p1d n GLU 212 Cb 0.79 -0.50 0.00 0.00 1.43 0.00 0.00 31.44 33.16 1p1d n GLU 212 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50