#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4m s LEU 2 N 0.00 4.34 0.09 0.99 2.96 -1.26 -4.95 118.68 120.84 1d4m s LEU 2 Ca 0.00 2.12 -0.31 0.00 -0.22 0.00 0.00 54.13 55.72 1d4m s LEU 2 Cb 0.00 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 43.03 1d4m s LEU 2 CO 0.00 -0.62 1.68 -2.84 -1.32 0.00 0.00 176.35 173.25 1d4m s PRO 3 N 1.69 4.19 0.24 0.98 0.02 -1.26 -5.00 135.00 135.86 1d4m s PRO 3 Ca 0.62 2.39 0.02 0.00 0.02 0.00 0.00 61.00 64.05 1d4m s PRO 3 Cb -0.32 -3.57 -0.05 0.00 0.02 0.00 0.00 34.50 30.58 1d4m s PRO 3 CO 0.28 -0.75 0.04 0.95 -0.33 0.00 0.00 177.00 177.19 1d4m s THR 4 N 2.57 0.81 -0.15 0.99 -4.23 -1.26 -5.15 115.64 109.22 1d4m s THR 4 Ca 0.75 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 59.21 1d4m s THR 4 Cb -0.41 -2.47 0.07 0.00 1.34 0.00 0.00 72.50 71.03 1d4m s THR 4 CO 0.33 -0.19 0.24 -0.32 -0.54 0.00 0.00 174.62 174.13 1d4m s MET 5 N -3.94 0.15 0.23 3.99 1.75 -1.26 -5.14 119.30 115.08 1d4m s MET 5 Ca 0.32 0.52 -0.30 0.00 -1.25 0.00 0.00 55.69 54.98 1d4m s MET 5 Cb 0.07 -0.50 -0.09 0.00 2.84 0.00 0.00 34.83 37.15 1d4m s MET 5 CO 0.11 -0.43 1.34 -0.80 -0.65 0.00 0.00 175.02 174.58 1d4m s ASN 6 N 2.37 6.83 0.38 1.11 0.01 -1.26 -5.04 114.94 119.34 1d4m s ASN 6 Ca 0.04 2.49 0.07 0.00 -0.71 0.00 0.00 52.86 54.76 1d4m s ASN 6 Cb -0.13 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 38.90 1d4m s ASN 6 CO -0.10 -0.56 0.43 0.42 -1.51 0.00 0.00 177.10 175.78 1d4m s THR 7 N -0.06 3.28 0.57 1.60 -4.23 -1.26 -5.03 115.64 110.50 1d4m s THR 7 Ca 0.56 -1.19 -0.20 0.00 -1.18 0.00 0.00 61.69 59.68 1d4m s THR 7 Cb -0.38 -3.14 -0.05 0.00 1.34 0.00 0.00 72.50 70.28 1d4m s THR 7 CO 0.41 -0.08 1.19 -2.65 -0.54 0.00 0.00 174.62 172.95 1d4m n PRO 8 N -1.60 1.32 0.00 3.99 -0.02 -1.26 -2.37 135.00 135.05 1d4m n PRO 8 Ca 0.03 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1d4m n PRO 8 Cb 0.60 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1d4m n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d4m n GLY 9 N 1.00 2.91 3.71 -1.23 0.00 -1.26 -5.04 105.19 105.27 1d4m n GLY 9 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1d4m n GLY 9 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1d4m n SER 10 N 0.00 3.52 0.00 1.61 2.88 -1.00 -2.18 113.62 118.44 1d4m n SER 10 Ca 0.00 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1d4m n SER 10 Cb 0.00 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 61.93 1d4m n SER 10 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1d4m n THR 11 N 2.56 0.00 -1.71 2.46 -2.24 -1.26 -5.02 114.28 109.06 1d4m n THR 11 Ca 0.12 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.58 1d4m n THR 11 Cb 0.34 -0.07 0.03 0.00 -2.10 0.00 0.00 70.33 68.54 1d4m n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d4m s GLN 12 N -0.13 3.15 -0.39 -0.78 -2.07 -0.93 -5.03 119.66 113.49 1d4m s GLN 12 Ca 0.00 0.93 0.00 0.00 -1.82 0.00 0.00 55.36 54.48 1d4m s GLN 12 Cb 0.00 -2.02 0.11 0.00 -1.09 0.00 0.00 33.01 30.01 1d4m s GLN 12 CO 0.00 -0.93 0.14 0.12 -1.32 0.00 0.00 175.29 173.31 1d4m s PHE 13 N -3.01 3.66 -0.27 9.60 5.36 -1.26 -5.06 117.98 126.99 1d4m s PHE 13 Ca 0.58 -2.71 -0.15 0.00 -0.96 0.00 0.00 56.93 53.68 1d4m s PHE 13 Cb -0.13 -3.08 -0.03 0.00 -0.34 0.00 0.00 43.02 39.43 1d4m s PHE 13 CO 0.52 -0.95 0.38 -1.17 -1.46 0.00 0.00 175.22 172.54 1d4m s LEU 14 N 0.96 4.07 0.45 6.12 2.96 -1.26 -4.98 118.68 126.99 1d4m s LEU 14 Ca 0.10 0.27 0.22 0.00 -0.22 0.00 0.00 54.13 54.50 1d4m s LEU 14 Cb -0.21 -2.44 1.21 0.00 0.50 0.00 0.00 46.19 45.25 1d4m s LEU 14 CO -0.06 -0.21 1.83 0.74 -1.32 0.00 0.00 176.35 177.34 1d4m h THR 15 N 5.40 0.58 -0.63 3.68 2.02 -2.07 -0.81 112.91 121.08 1d4m h THR 15 Ca -0.31 -0.10 -0.15 0.00 0.77 0.00 0.00 66.41 66.62 1d4m h THR 15 Cb 1.16 0.27 -0.09 0.00 -1.74 0.00 0.00 68.15 67.75 1d4m h THR 15 CO 0.65 0.05 0.17 -1.54 0.37 0.00 0.00 175.52 175.22 1d4m n SER 16 N -4.47 4.79 -4.70 4.18 3.41 -1.26 -4.99 113.62 110.58 1d4m n SER 16 Ca 0.22 -3.18 -0.29 0.00 -0.26 0.00 0.00 58.87 55.36 1d4m n SER 16 Cb 0.86 -0.71 0.16 0.00 -0.26 0.00 0.00 64.21 64.26 1d4m n SER 16 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1d4m s ASP 17 N -1.19 3.00 -0.41 4.04 -4.77 -0.31 -5.03 116.67 112.00 1d4m s ASP 17 Ca 0.53 1.26 0.08 0.00 -3.30 0.00 0.00 52.55 51.11 1d4m s ASP 17 Cb 0.42 -1.92 0.25 0.00 -1.09 0.00 0.00 42.92 40.58 1d4m s ASP 17 CO 0.13 -2.91 0.61 -0.67 0.70 0.00 0.00 175.17 173.03 1d4m n ASP 18 N -4.03 -0.56 -4.78 2.11 2.03 -1.26 -5.10 116.55 104.96 1d4m n ASP 18 Ca 0.06 -2.84 -0.25 0.00 0.52 0.00 0.00 54.79 52.28 1d4m n ASP 18 Cb 0.57 -0.05 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 1d4m n ASP 18 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1d4m s PHE 19 N -0.74 2.41 0.43 -0.67 0.08 -1.26 -5.14 117.98 113.09 1d4m s PHE 19 Ca 0.34 -0.64 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 1d4m s PHE 19 Cb 0.19 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.65 1d4m s PHE 19 CO -0.14 0.05 0.69 -0.65 -0.10 0.00 0.00 175.22 175.06 1d4m s GLN 20 N -3.99 3.43 0.01 0.44 -0.21 -1.26 -5.11 119.66 112.97 1d4m s GLN 20 Ca 0.38 -0.09 -0.24 0.00 0.02 0.00 0.00 55.36 55.43 1d4m s GLN 20 Cb 0.02 -2.50 0.05 0.00 1.00 0.00 0.00 33.01 31.58 1d4m s GLN 20 CO 0.22 -0.11 0.54 -1.54 -2.12 0.00 0.00 175.29 172.28 1d4m s SER 21 N -4.10 -0.48 0.51 5.90 1.04 -1.26 -5.15 113.70 110.16 1d4m s SER 21 Ca 0.45 0.34 -0.23 0.00 0.48 0.00 0.00 55.95 56.99 1d4m s SER 21 Cb -0.10 0.48 -0.06 0.00 0.10 0.00 0.00 66.02 66.44 1d4m s SER 21 CO 0.41 -0.65 1.38 -0.81 0.98 0.00 0.00 173.24 174.55 1d4m n PRO 22 N 0.69 1.88 -3.19 4.02 -0.04 -1.26 -4.98 135.00 132.13 1d4m n PRO 22 Ca -0.19 0.68 -0.40 0.00 -0.04 0.00 0.00 63.50 63.56 1d4m n PRO 22 Cb 0.59 -2.59 -0.06 0.00 -0.04 0.00 0.00 33.50 31.40 1d4m n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d4m h ALA 24 N 7.40 1.00 -2.31 0.00 0.00 -2.08 -3.33 119.26 119.95 1d4m h ALA 24 Ca -0.33 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.95 1d4m h ALA 24 Cb 1.15 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.54 1d4m h ALA 24 CO 0.76 0.00 -0.45 1.28 0.00 0.00 0.00 179.25 180.84 1d4m n LEU 25 N -2.94 3.93 -4.66 0.00 4.32 -1.26 -5.08 117.00 111.31 1d4m n LEU 25 Ca 0.01 -5.39 -0.46 0.00 -0.02 0.00 0.00 56.01 50.16 1d4m n LEU 25 Cb 0.32 -0.75 -0.03 0.00 -1.62 0.00 0.00 43.42 41.33 1d4m n LEU 25 CO 0.27 1.97 1.08 -2.65 -1.22 0.00 0.00 177.39 176.83 1d4m n PRO 26 N 1.08 2.01 -1.63 3.23 -0.02 -1.25 -2.25 135.00 136.17 1d4m n PRO 26 Ca 0.28 0.72 -0.15 0.00 -2.02 0.00 0.00 63.50 62.33 1d4m n PRO 26 Cb 0.39 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 1d4m n PRO 26 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1d4m n GLN 27 N 2.63 -1.08 -2.04 -0.52 1.13 -1.26 -4.96 117.38 111.28 1d4m n GLN 27 Ca 0.14 0.96 -0.42 0.00 -1.94 0.00 0.00 57.00 55.75 1d4m n GLN 27 Cb 0.29 -5.15 -0.03 0.00 0.11 0.00 0.00 30.24 25.47 1d4m n GLN 27 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1d4m s PHE 28 N -2.60 3.14 -0.59 1.08 5.36 -0.96 -4.93 117.98 118.48 1d4m s PHE 28 Ca 0.00 0.78 -0.21 0.00 -0.96 0.00 0.00 56.93 56.54 1d4m s PHE 28 Cb 0.00 -3.82 0.07 0.00 -0.34 0.00 0.00 43.02 38.93 1d4m s PHE 28 CO 0.00 -2.95 0.82 0.34 -1.46 0.00 0.00 175.22 171.97 1d4m s ASP 29 N 1.09 6.21 0.44 6.13 2.15 -1.26 -5.03 116.67 126.41 1d4m s ASP 29 Ca 0.67 -0.99 -0.25 0.00 0.43 0.00 0.00 52.55 52.41 1d4m s ASP 29 Cb -0.41 -2.36 -0.09 0.00 -0.30 0.00 0.00 42.92 39.76 1d4m s ASP 29 CO 0.31 -1.20 1.31 0.52 -0.17 0.00 0.00 175.17 175.94 1d4m n VAL 30 N 5.80 2.70 -2.04 1.11 0.31 -1.26 -4.96 118.33 119.99 1d4m n VAL 30 Ca -0.05 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.37 1d4m n VAL 30 Cb 0.45 -1.64 -0.02 0.00 -0.91 0.00 0.00 33.84 31.72 1d4m n VAL 30 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1d4m s THR 31 N -1.21 2.69 0.53 2.52 2.01 -1.26 -4.93 115.64 115.99 1d4m s THR 31 Ca 0.62 0.60 -0.21 0.00 0.31 0.00 0.00 61.69 63.01 1d4m s THR 31 Cb -0.49 -3.38 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 1d4m s THR 31 CO 0.57 0.10 0.92 -2.65 -0.69 0.00 0.00 174.62 172.88 1d4m n PRO 32 N 2.09 1.03 -1.99 4.92 -0.02 -1.26 -4.95 135.00 134.82 1d4m n PRO 32 Ca 0.06 0.38 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 1d4m n PRO 32 Cb 0.41 -2.06 0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1d4m n PRO 32 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1d4m s SER 33 N -1.04 5.54 0.01 2.55 0.15 -1.26 -5.06 113.70 114.60 1d4m s SER 33 Ca 0.70 1.94 0.02 0.00 0.70 0.00 0.00 55.95 59.31 1d4m s SER 33 Cb -0.47 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.28 1d4m s SER 33 CO 0.52 -1.33 -0.07 -0.32 1.20 0.00 0.00 173.24 173.24 1d4m s MET 34 N -3.94 0.49 -1.23 5.44 1.75 -1.26 -5.08 119.30 115.46 1d4m s MET 34 Ca 0.66 -0.40 -0.17 0.00 -1.25 0.00 0.00 55.69 54.53 1d4m s MET 34 Cb -0.19 -0.40 0.11 0.00 2.84 0.00 0.00 34.83 37.19 1d4m s MET 34 CO 0.37 0.10 1.59 1.21 -0.65 0.00 0.00 175.02 177.63 1d4m s ASN 35 N -0.64 6.89 0.19 1.11 3.04 -1.26 -4.99 114.94 119.29 1d4m s ASN 35 Ca -0.02 -2.55 -0.30 0.00 0.04 0.00 0.00 52.86 50.03 1d4m s ASN 35 Cb -0.05 -2.51 -0.08 0.00 -1.54 0.00 0.00 41.25 37.07 1d4m s ASN 35 CO 0.00 -1.04 1.07 -0.63 -3.04 0.00 0.00 177.10 173.46 1d4m s ILE 36 N 3.30 3.88 0.89 -5.21 1.01 -1.26 -5.02 121.20 118.79 1d4m s ILE 36 Ca 0.49 1.69 -0.11 0.00 0.00 0.00 0.00 60.65 62.72 1d4m s ILE 36 Cb 0.01 -4.08 0.13 0.00 0.01 0.00 0.00 42.46 38.53 1d4m s ILE 36 CO 0.03 0.32 1.11 -2.84 0.00 0.00 0.00 174.94 173.56 1d4m s PRO 37 N -0.60 1.28 -0.61 2.79 0.02 -1.26 -4.32 135.00 132.30 1d4m s PRO 37 Ca 0.47 1.26 -0.04 0.00 0.02 0.00 0.00 61.00 62.72 1d4m s PRO 37 Cb -0.29 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1d4m s PRO 37 CO 0.35 -2.35 0.53 0.41 -0.33 0.00 0.00 177.00 175.61 1d4m n GLY 38 N -0.39 0.28 3.76 0.52 0.00 -1.26 -5.01 105.19 103.08 1d4m n GLY 38 Ca 0.09 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1d4m n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1d4m s GLU 39 N -5.59 4.57 -0.07 1.61 2.12 -1.26 -5.03 118.70 115.06 1d4m s GLU 39 Ca 0.26 1.89 0.01 0.00 0.36 0.00 0.00 54.97 57.50 1d4m s GLU 39 Cb -0.12 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 1d4m s GLU 39 CO 0.33 0.10 -0.08 0.08 -0.54 0.00 0.00 175.26 175.15 1d4m s VAL 40 N -1.04 3.64 -0.00 3.70 1.01 -1.26 -5.01 120.40 121.45 1d4m s VAL 40 Ca 0.46 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1d4m s VAL 40 Cb -0.34 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 1d4m s VAL 40 CO 0.43 0.60 0.00 0.29 0.00 0.00 0.00 175.10 176.42 1d4m n LYS 41 N 2.26 2.68 -3.84 2.72 5.02 -1.26 -5.04 118.16 120.70 1d4m n LYS 41 Ca -0.18 -0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 55.98 1d4m n LYS 41 Cb 0.53 -1.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.39 1d4m n LYS 41 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1d4m s ASN 42 N -2.70 0.00 0.63 4.39 2.47 -1.26 -5.03 114.94 113.45 1d4m s ASN 42 Ca -0.00 0.04 0.39 0.00 0.42 0.00 0.00 52.86 53.71 1d4m s ASN 42 Cb 0.00 0.01 2.14 0.00 -1.45 0.00 0.00 41.25 41.95 1d4m s ASN 42 CO 0.01 -0.03 2.30 -0.07 -3.72 0.00 0.00 177.10 175.58 1d4m h LEU 43 N 6.40 0.00 -1.96 3.21 3.38 -2.02 -1.01 115.31 123.30 1d4m h LEU 43 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1d4m h LEU 43 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1d4m h LEU 43 CO 0.49 0.01 -0.04 0.24 0.09 0.00 0.00 178.44 179.24 1d4m h MET 44 N 0.00 0.00 -0.23 1.13 2.86 -1.97 -1.46 114.93 115.25 1d4m h MET 44 Ca -0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1d4m h MET 44 Cb 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1d4m h MET 44 CO 0.00 0.04 -0.14 0.93 1.06 0.00 0.00 176.91 178.79 1d4m h GLU 45 N 0.00 0.39 -0.02 1.72 5.08 -1.61 -1.52 114.58 118.62 1d4m h GLU 45 Ca -0.00 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1d4m h GLU 45 Cb 0.35 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1d4m h GLU 45 CO 0.00 0.53 -0.29 0.82 -1.00 0.00 0.00 179.01 179.08 1d4m h ILE 46 N 0.36 1.50 0.00 3.13 2.04 -1.43 -3.19 117.51 119.91 1d4m h ILE 46 Ca 0.07 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 64.07 1d4m h ILE 46 Cb 0.47 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1d4m h ILE 46 CO 0.03 0.52 0.00 0.00 0.00 0.00 0.00 178.15 178.70 1d4m h ALA 47 N 0.32 1.00 -0.01 1.87 0.00 -1.24 -1.30 119.26 119.91 1d4m h ALA 47 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1d4m h ALA 47 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1d4m h ALA 47 CO 0.06 0.00 -0.06 0.39 0.00 0.00 0.00 179.25 179.64 1d4m n GLU 48 N -2.85 0.98 -3.64 0.00 1.02 -0.59 -1.21 120.64 114.35 1d4m n GLU 48 Ca -0.02 -0.33 -0.37 0.00 -0.02 0.00 0.00 57.16 56.43 1d4m n GLU 48 Cb 0.11 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 29.97 1d4m n GLU 48 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1d4m s VAL 49 N -2.25 5.29 0.40 2.62 1.01 -0.49 -4.54 120.40 122.45 1d4m s VAL 49 Ca 0.36 0.51 -0.26 0.00 0.00 0.00 0.00 61.98 62.59 1d4m s VAL 49 Cb 0.21 -3.58 -0.08 0.00 0.00 0.00 0.00 36.38 32.93 1d4m s VAL 49 CO 0.42 0.52 1.25 -1.81 0.00 0.00 0.00 175.10 175.48 1d4m s ASP 50 N -0.44 6.38 0.04 3.32 1.01 -1.26 -4.61 116.67 121.11 1d4m s ASP 50 Ca 0.18 2.54 0.01 0.00 0.71 0.00 0.00 52.55 55.98 1d4m s ASP 50 Cb -0.14 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.14 1d4m s ASP 50 CO 0.06 -0.79 -0.05 -0.94 0.21 0.00 0.00 175.17 173.66 1d4m s SER 51 N -0.89 0.57 -0.05 0.27 1.04 -1.10 -4.93 113.70 108.61 1d4m s SER 51 Ca 0.57 -0.63 -0.30 0.00 0.48 0.00 0.00 55.95 56.07 1d4m s SER 51 Cb -0.35 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 1d4m s SER 51 CO 0.45 -0.32 1.26 -0.69 0.98 0.00 0.00 173.24 174.91 1d4m s VAL 52 N -1.96 4.13 -0.15 5.02 1.01 -1.26 -2.22 120.40 124.97 1d4m s VAL 52 Ca -0.08 1.46 -0.22 0.00 0.00 0.00 0.00 61.98 63.13 1d4m s VAL 52 Cb -0.06 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1d4m s VAL 52 CO -0.02 -0.02 0.68 -0.69 0.00 0.00 0.00 175.10 175.05 1d4m s VAL 53 N 2.41 5.01 -1.37 2.92 1.01 0.80 -4.91 120.40 126.28 1d4m s VAL 53 Ca 0.58 1.34 -0.16 0.00 0.00 0.00 0.00 61.98 63.74 1d4m s VAL 53 Cb -0.26 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.15 1d4m s VAL 53 CO 0.22 0.15 2.11 -0.81 0.00 0.00 0.00 175.10 176.77 1d4m n PRO 54 N 4.60 2.79 -0.08 2.72 -0.04 -1.25 -4.57 135.00 139.16 1d4m n PRO 54 Ca -0.01 -2.67 -0.03 0.00 -0.04 0.00 0.00 63.50 60.75 1d4m n PRO 54 Cb 0.50 -3.31 0.19 0.00 -0.04 0.00 0.00 33.50 30.85 1d4m n PRO 54 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1d4m h VAL 55 N 4.38 1.23 -1.39 0.52 2.07 -1.75 -3.21 116.25 118.10 1d4m h VAL 55 Ca 0.53 -0.94 -0.60 0.00 0.82 0.00 0.00 66.70 66.51 1d4m h VAL 55 Cb 0.69 0.88 -0.21 0.00 -1.52 0.00 0.00 31.29 31.13 1d4m h VAL 55 CO 1.80 0.33 0.65 -3.20 0.02 0.00 0.00 177.57 177.17 1d4m n ASN 56 N -4.23 6.85 -3.29 0.57 4.05 -0.23 -4.77 115.26 114.20 1d4m n ASN 56 Ca 0.02 -3.42 -0.38 0.00 0.45 0.00 0.00 54.58 51.26 1d4m n ASN 56 Cb 0.28 -1.18 -0.02 0.00 1.23 0.00 0.00 39.78 40.09 1d4m n ASN 56 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1d4m n ASN 57 N 0.41 8.05 -4.87 1.20 2.04 -1.21 -4.04 115.26 116.84 1d4m n ASN 57 Ca 0.51 -2.95 -0.31 0.00 -0.44 0.00 0.00 54.58 51.39 1d4m n ASN 57 Cb 0.44 -1.41 -0.05 0.00 -2.53 0.00 0.00 39.78 36.23 1d4m n ASN 57 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 1d4m s VAL 58 N -0.13 4.77 0.23 3.53 -7.23 -1.26 -5.01 120.40 115.29 1d4m s VAL 58 Ca 0.60 0.71 -0.16 0.00 -1.81 0.00 0.00 61.98 61.32 1d4m s VAL 58 Cb 0.20 -3.67 0.27 0.00 0.56 0.00 0.00 36.38 33.74 1d4m s VAL 58 CO -0.09 -0.32 1.57 -0.61 -0.31 0.00 0.00 175.10 175.34 1d4m h GLN 59 N 1.83 -0.04 -0.10 4.82 4.15 -2.03 -2.33 115.11 121.41 1d4m h GLN 59 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1d4m h GLN 59 Cb 1.18 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1d4m h GLN 59 CO 0.65 -0.02 0.00 -0.40 -1.93 0.00 0.00 178.83 177.13 1d4m n ASP 60 N -5.50 0.10 -4.61 -0.69 5.75 -1.26 -4.92 116.55 105.42 1d4m n ASP 60 Ca 0.10 -1.66 -0.53 0.00 -0.01 0.00 0.00 54.79 52.69 1d4m n ASP 60 Cb 0.41 -0.05 -0.07 0.00 -1.03 0.00 0.00 41.12 40.38 1d4m n ASP 60 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1d4m n THR 61 N -0.43 0.34 -0.10 2.12 -1.04 -0.88 -4.86 114.28 109.43 1d4m n THR 61 Ca 0.00 -0.14 -0.20 0.00 -2.04 0.00 0.00 64.05 61.67 1d4m n THR 61 Cb 0.02 -1.53 -0.11 0.00 -1.82 0.00 0.00 70.33 66.90 1d4m n THR 61 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1d4m h THR 62 N 5.95 0.84 -3.60 12.58 2.02 -1.92 -3.46 112.91 125.33 1d4m h THR 62 Ca -0.40 -2.08 -0.66 0.00 0.77 0.00 0.00 66.41 64.04 1d4m h THR 62 Cb 1.31 2.03 -0.24 0.00 -1.74 0.00 0.00 68.15 69.51 1d4m h THR 62 CO 0.98 0.28 -0.63 -0.62 0.37 0.00 0.00 175.52 175.90 1d4m s ASP 63 N -6.76 5.04 0.32 4.18 2.15 -1.26 -5.02 116.67 115.33 1d4m s ASP 63 Ca -0.28 -0.34 0.09 0.00 0.43 0.00 0.00 52.55 52.46 1d4m s ASP 63 Cb 0.06 -1.90 0.87 0.00 -0.30 0.00 0.00 42.92 41.64 1d4m s ASP 63 CO 0.56 -0.07 1.75 1.56 -0.17 0.00 0.00 175.17 178.80 1d4m h GLN 64 N 8.23 0.60 0.00 4.34 1.08 -2.02 -1.56 115.11 125.77 1d4m h GLN 64 Ca -0.37 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 1d4m h GLN 64 Cb 1.16 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 1d4m h GLN 64 CO 0.59 0.40 0.00 0.52 -0.95 0.00 0.00 178.83 179.38 1d4m h MET 65 N 0.62 0.00 0.00 1.46 2.86 -2.01 -2.49 114.93 115.36 1d4m h MET 65 Ca 0.62 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.25 1d4m h MET 65 Cb 1.16 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 1d4m h MET 65 CO -0.43 0.00 -0.04 0.93 1.06 0.00 0.00 176.91 178.42 1d4m h GLU 66 N 0.00 0.00 0.00 1.72 4.39 -1.66 -2.62 114.58 116.41 1d4m h GLU 66 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1d4m h GLU 66 Cb 0.26 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1d4m h GLU 66 CO 0.00 0.04 -0.04 0.52 -1.16 0.00 0.00 179.01 178.37 1d4m h MET 67 N 0.00 0.00 -0.01 2.33 2.86 -1.58 -1.62 114.93 116.91 1d4m h MET 67 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1d4m h MET 67 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1d4m h MET 67 CO 0.01 0.04 -0.36 1.19 1.06 0.00 0.00 176.91 178.85 1d4m n PHE 68 N -3.51 0.00 -3.65 -0.22 3.72 -0.99 -1.07 117.46 111.75 1d4m n PHE 68 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 1d4m n PHE 68 Cb 0.15 -0.14 -0.12 0.00 -0.94 0.00 0.00 39.48 38.44 1d4m n PHE 68 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1d4m s ARG 69 N -2.63 3.05 -0.26 -1.08 0.52 -0.61 -4.54 118.95 113.39 1d4m s ARG 69 Ca 0.20 -0.92 -0.23 0.00 -0.52 0.00 0.00 55.73 54.27 1d4m s ARG 69 Cb 0.19 -3.61 -0.01 0.00 0.52 0.00 0.00 34.95 32.03 1d4m s ARG 69 CO 0.58 -0.56 0.74 0.42 0.02 0.00 0.00 175.30 176.50 1d4m s ILE 70 N 1.56 4.89 0.26 1.52 1.01 -0.12 -4.69 121.20 125.63 1d4m s ILE 70 Ca 0.03 1.29 -0.30 0.00 0.00 0.00 0.00 60.65 61.67 1d4m s ILE 70 Cb -0.18 -4.05 -0.09 0.00 0.01 0.00 0.00 42.46 38.15 1d4m s ILE 70 CO 0.06 -0.08 1.15 -2.84 0.00 0.00 0.00 174.94 173.23 1d4m s PRO 71 N 2.73 4.57 -0.03 2.79 0.02 -1.26 -0.72 135.00 143.10 1d4m s PRO 71 Ca 0.31 1.86 -0.02 0.00 0.02 0.00 0.00 61.00 63.17 1d4m s PRO 71 Cb -0.15 -3.19 0.01 0.00 0.02 0.00 0.00 34.50 31.19 1d4m s PRO 71 CO 0.09 0.08 0.08 0.54 -0.33 0.00 0.00 177.00 177.46 1d4m s VAL 72 N -0.83 -0.02 0.14 3.83 0.11 -0.35 -4.95 120.40 118.34 1d4m s VAL 72 Ca 0.47 0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.57 1d4m s VAL 72 Cb -0.33 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1d4m s VAL 72 CO 0.41 0.02 0.06 0.28 -3.33 0.00 0.00 175.10 172.54 1d4m s THR 73 N 0.35 0.13 0.70 5.04 -1.32 -1.26 -0.82 115.64 118.45 1d4m s THR 73 Ca -0.03 -1.93 -0.11 0.00 -1.21 0.00 0.00 61.69 58.42 1d4m s THR 73 Cb -0.04 -2.11 0.01 0.00 -1.51 0.00 0.00 72.50 68.85 1d4m s THR 73 CO -0.01 -0.41 1.07 0.27 -2.21 0.00 0.00 174.62 173.33 1d4m s ILE 74 N -4.03 3.89 -1.60 5.08 -4.36 -0.77 -4.10 121.20 115.31 1d4m s ILE 74 Ca 0.26 0.61 -0.13 0.00 -0.26 0.00 0.00 60.65 61.13 1d4m s ILE 74 Cb 0.07 -3.47 0.11 0.00 1.25 0.00 0.00 42.46 40.42 1d4m s ILE 74 CO 0.03 -0.80 0.74 0.59 0.24 0.00 0.00 174.94 175.74 1d4m n ASN 75 N -3.07 -2.86 -4.78 4.36 3.02 -1.26 -4.94 115.26 105.73 1d4m n ASN 75 Ca 0.07 -0.97 -0.37 0.00 -0.03 0.00 0.00 54.58 53.28 1d4m n ASN 75 Cb 0.55 -3.04 -0.05 0.00 -0.61 0.00 0.00 39.78 36.63 1d4m n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1d4m s ALA 76 N -3.45 3.16 0.44 5.41 0.00 -1.26 -4.98 121.76 121.08 1d4m s ALA 76 Ca 0.55 0.66 -0.24 0.00 0.00 0.00 0.00 51.96 52.92 1d4m s ALA 76 Cb -0.29 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 1d4m s ALA 76 CO 0.90 -0.07 1.19 -2.30 0.00 0.00 0.00 175.76 175.48 1d4m n PRO 77 N 0.26 1.69 -1.67 0.00 -0.02 -1.26 -4.87 135.00 129.13 1d4m n PRO 77 Ca 0.03 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.69 1d4m n PRO 77 Cb 0.49 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1d4m n PRO 77 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1d4m n LEU 78 N 0.12 3.09 -1.41 2.45 4.77 -1.26 -2.38 117.00 122.37 1d4m n LEU 78 Ca 0.08 1.19 -0.17 0.00 -0.03 0.00 0.00 56.01 57.08 1d4m n LEU 78 Cb 0.40 -1.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.00 1d4m n LEU 78 CO 0.57 -0.77 -0.17 0.00 -1.33 0.00 0.00 177.39 175.69 1d4m n GLN 79 N 0.55 -1.22 -2.19 3.23 6.02 -1.26 -4.96 117.38 117.55 1d4m n GLN 79 Ca 0.06 1.07 -0.37 0.00 -0.01 0.00 0.00 57.00 57.76 1d4m n GLN 79 Cb 0.35 -5.33 0.00 0.00 1.02 0.00 0.00 30.24 26.28 1d4m n GLN 79 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1d4m s GLN 80 N -3.65 3.52 0.06 -1.09 -0.21 -1.00 -4.49 119.66 112.80 1d4m s GLN 80 Ca 0.00 1.79 -0.26 0.00 0.02 0.00 0.00 55.36 56.90 1d4m s GLN 80 Cb 0.00 -2.25 -0.05 0.00 1.00 0.00 0.00 33.01 31.71 1d4m s GLN 80 CO 0.00 -0.75 0.82 -1.14 -2.12 0.00 0.00 175.29 172.10 1d4m s GLN 81 N -2.92 4.55 -0.13 2.91 0.74 -1.26 -0.74 119.66 122.81 1d4m s GLN 81 Ca 0.68 1.17 -0.05 0.00 0.05 0.00 0.00 55.36 57.21 1d4m s GLN 81 Cb -0.29 -3.37 -0.25 0.00 1.10 0.00 0.00 33.01 30.20 1d4m s GLN 81 CO 0.34 0.26 0.31 0.28 -0.55 0.00 0.00 175.29 175.93 1d4m n VAL 82 N 2.82 1.74 -3.71 1.34 0.31 0.14 -4.93 118.33 116.04 1d4m n VAL 82 Ca -0.01 -0.65 -0.01 0.00 -0.01 0.00 0.00 64.34 63.65 1d4m n VAL 82 Cb 0.50 -1.66 -0.01 0.00 -0.91 0.00 0.00 33.84 31.76 1d4m n VAL 82 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1d4m s PHE 83 N -2.56 -0.08 -0.21 3.52 -0.12 -1.20 -4.90 117.98 112.43 1d4m s PHE 83 Ca -0.23 -0.15 -0.17 0.00 -0.05 0.00 0.00 56.93 56.34 1d4m s PHE 83 Cb 0.07 0.61 0.06 0.00 -0.63 0.00 0.00 43.02 43.12 1d4m s PHE 83 CO 0.75 -0.61 0.54 0.20 -0.05 0.00 0.00 175.22 176.06 1d4m s GLY 84 N -2.99 -0.43 0.00 1.99 0.00 -1.26 -1.74 107.32 102.89 1d4m s GLY 84 Ca 0.14 1.67 -0.08 0.00 0.00 0.00 0.00 44.72 46.45 1d4m s GLY 84 CO 0.00 1.56 0.15 0.48 0.00 0.00 0.00 173.10 175.29 1d4m s LEU 85 N 0.71 1.50 -0.18 0.66 0.05 0.34 -5.00 118.68 116.76 1d4m s LEU 85 Ca -0.03 -0.19 -0.09 0.00 0.05 0.00 0.00 54.13 53.87 1d4m s LEU 85 Cb -0.05 0.72 -0.05 0.00 -2.05 0.00 0.00 46.19 44.77 1d4m s LEU 85 CO -0.05 -0.38 0.12 0.00 -0.55 0.00 0.00 176.35 175.49 1d4m s ARG 86 N -1.40 4.00 -1.01 1.48 1.70 -1.26 -0.69 118.95 121.76 1d4m s ARG 86 Ca -0.15 -0.23 -0.23 0.00 -0.47 0.00 0.00 55.73 54.65 1d4m s ARG 86 Cb -0.07 -3.34 -0.04 0.00 -0.57 0.00 0.00 34.95 30.93 1d4m s ARG 86 CO 0.02 0.39 1.87 -1.17 -1.08 0.00 0.00 175.30 175.33 1d4m s LEU 87 N 0.09 3.21 -0.42 -1.89 2.96 -0.11 -4.74 118.68 117.78 1d4m s LEU 87 Ca 0.09 -1.13 0.05 0.00 -0.22 0.00 0.00 54.13 52.92 1d4m s LEU 87 Cb -0.11 -2.57 0.19 0.00 0.50 0.00 0.00 46.19 44.20 1d4m s LEU 87 CO -0.01 -2.61 0.42 0.00 -1.32 0.00 0.00 176.35 172.84 1d4m n GLN 88 N 8.68 0.34 0.20 1.98 6.02 -1.26 -4.22 117.38 129.12 1d4m n GLN 88 Ca 0.41 -3.06 0.18 0.00 -0.01 0.00 0.00 57.00 54.53 1d4m n GLN 88 Cb 0.47 -1.55 0.79 0.00 1.02 0.00 0.00 30.24 30.97 1d4m n GLN 88 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1d4m h PRO 89 N 5.19 0.00 0.00 -1.09 0.13 -1.91 -0.14 132.00 134.18 1d4m h PRO 89 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1d4m h PRO 89 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1d4m h PRO 89 CO 0.36 0.00 -1.10 0.41 -0.23 0.00 0.00 178.00 177.44 1d4m n GLY 90 N -1.37 -0.57 0.18 1.56 0.00 -1.26 -3.62 105.19 100.11 1d4m n GLY 90 Ca 0.03 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.56 1d4m n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1d4m n LEU 91 N -1.62 2.50 -4.75 0.99 7.94 -0.78 -4.62 117.00 116.66 1d4m n LEU 91 Ca 0.01 -0.01 -0.41 0.00 -1.11 0.00 0.00 56.01 54.48 1d4m n LEU 91 Cb 0.31 -0.29 -0.03 0.00 0.53 0.00 0.00 43.42 43.94 1d4m n LEU 91 CO 0.32 0.55 0.98 -0.62 -1.11 0.00 0.00 177.39 177.51 1d4m s ASP 92 N -5.02 6.86 0.58 1.96 -1.08 -0.14 -4.75 116.67 115.08 1d4m s ASP 92 Ca -0.12 2.52 0.29 0.00 -0.52 0.00 0.00 52.55 54.72 1d4m s ASP 92 Cb 0.03 -2.63 1.49 0.00 -1.46 0.00 0.00 42.92 40.35 1d4m s ASP 92 CO 0.19 -0.52 1.92 0.28 0.52 0.00 0.00 175.17 177.56 1d4m h SER 93 N 4.52 0.00 -0.30 -0.34 0.02 -1.95 0.30 113.55 115.80 1d4m h SER 93 Ca -0.46 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.40 1d4m h SER 93 Cb 1.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 1d4m h SER 93 CO 0.72 0.00 -0.09 0.58 -1.14 0.00 0.00 176.83 176.90 1d4m h VAL 94 N 0.00 1.25 0.00 2.27 2.07 -1.91 -3.37 116.25 116.56 1d4m h VAL 94 Ca 0.23 -1.10 -0.25 0.00 0.82 0.00 0.00 66.70 66.39 1d4m h VAL 94 Cb 1.15 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1d4m h VAL 94 CO -0.00 0.37 -1.95 0.49 0.02 0.00 0.00 177.57 176.50 1d4m n PHE 95 N -4.18 0.00 -0.34 1.57 3.72 -0.16 -3.90 117.46 114.17 1d4m n PHE 95 Ca 0.01 0.00 0.36 0.00 -0.05 0.00 0.00 57.45 57.78 1d4m n PHE 95 Cb 0.34 -0.67 0.70 0.00 -0.94 0.00 0.00 39.48 38.91 1d4m n PHE 95 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1d4m h LYS 96 N 0.00 0.00 -0.46 -1.08 2.10 -1.09 -0.94 116.57 115.10 1d4m h LYS 96 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1d4m h LYS 96 Cb 1.80 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.13 1d4m h LYS 96 CO 0.00 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.17 1d4m n HIS 97 N -3.84 0.61 -1.94 0.07 8.25 -1.26 -3.27 115.22 113.84 1d4m n HIS 97 Ca 0.27 -0.48 -0.29 0.00 -0.26 0.00 0.00 57.72 56.96 1d4m n HIS 97 Cb 1.41 -0.02 0.14 0.00 1.12 0.00 0.00 29.99 32.65 1d4m n HIS 97 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1d4m s THR 98 N -1.01 2.01 0.12 1.59 -4.23 -0.36 -4.75 115.64 109.01 1d4m s THR 98 Ca 0.31 -0.02 -0.22 0.00 -1.18 0.00 0.00 61.69 60.58 1d4m s THR 98 Cb 0.16 -2.99 -0.06 0.00 1.34 0.00 0.00 72.50 70.95 1d4m s THR 98 CO 0.22 0.00 1.70 -0.07 -0.54 0.00 0.00 174.62 175.92 1d4m h LEU 99 N -1.35 -0.26 -0.48 4.79 4.07 -1.91 0.35 115.31 120.52 1d4m h LEU 99 Ca -0.45 0.05 0.04 0.00 0.08 0.00 0.00 57.88 57.60 1d4m h LEU 99 Cb 1.28 0.13 -0.04 0.00 1.08 0.00 0.00 40.66 43.11 1d4m h LEU 99 CO 0.50 -0.12 0.25 0.25 -1.08 0.00 0.00 178.44 178.24 1d4m h LEU 100 N -0.11 0.37 -0.74 1.67 5.85 -1.86 -1.56 115.31 118.93 1d4m h LEU 100 Ca 0.06 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 1d4m h LEU 100 Cb 0.20 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1d4m h LEU 100 CO -0.15 0.26 -0.10 1.23 -0.34 0.00 0.00 178.44 179.34 1d4m h GLY 101 N 0.49 0.93 0.94 3.75 0.00 -1.54 -1.40 103.07 106.24 1d4m h GLY 101 Ca 0.20 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1d4m h GLY 101 CO -0.13 0.65 0.08 0.83 0.00 0.00 0.00 176.54 177.97 1d4m h GLU 102 N 0.78 0.67 -0.28 4.80 4.39 -0.59 -1.34 114.58 123.01 1d4m h GLU 102 Ca 0.13 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1d4m h GLU 102 Cb 0.60 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1d4m h GLU 102 CO 0.04 0.70 0.12 0.82 -1.16 0.00 0.00 179.01 179.53 1d4m h ILE 103 N 0.53 1.17 -0.73 3.13 5.03 -1.19 -2.52 117.51 122.93 1d4m h ILE 103 Ca 0.13 -0.52 0.13 0.00 -0.12 0.00 0.00 64.86 64.48 1d4m h ILE 103 Cb 0.34 0.99 -0.05 0.00 -3.03 0.00 0.00 36.82 35.08 1d4m h ILE 103 CO 0.00 0.18 0.48 -0.07 -0.68 0.00 0.00 178.15 178.07 1d4m h LEU 104 N 0.31 0.42 0.00 1.44 4.07 -1.03 -1.92 115.31 118.60 1d4m h LEU 104 Ca 0.09 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1d4m h LEU 104 Cb 0.17 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.84 1d4m h LEU 104 CO -0.01 0.23 0.00 0.59 -1.08 0.00 0.00 178.44 178.17 1d4m n ASN 105 N -4.48 0.00 -0.73 -0.43 3.02 -0.52 -1.27 115.26 110.85 1d4m n ASN 105 Ca 0.13 -0.92 0.06 0.00 -0.03 0.00 0.00 54.58 53.83 1d4m n ASN 105 Cb 0.47 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.81 1d4m n ASN 105 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1d4m n TYR 106 N -0.72 0.52 -4.23 3.10 4.01 -0.72 -3.66 117.16 115.45 1d4m n TYR 106 Ca 0.06 -0.49 -0.13 0.00 -0.16 0.00 0.00 57.90 57.19 1d4m n TYR 106 Cb 0.03 -0.02 -0.10 0.00 -0.31 0.00 0.00 39.34 38.93 1d4m n TYR 106 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1d4m s TYR 107 N -1.00 1.21 -0.13 -0.72 1.51 -0.40 -0.51 117.35 117.31 1d4m s TYR 107 Ca 0.26 -1.19 0.09 0.00 -1.01 0.00 0.00 57.07 55.22 1d4m s TYR 107 Cb 0.14 -0.67 -0.12 0.00 -0.11 0.00 0.00 41.96 41.19 1d4m s TYR 107 CO 0.18 -0.41 0.25 0.00 -1.11 0.00 0.00 175.55 174.46 1d4m n ALA 108 N -0.28 2.57 -2.57 3.71 0.00 -0.14 -4.74 120.51 119.07 1d4m n ALA 108 Ca -0.03 -0.22 -0.22 0.00 0.00 0.00 0.00 53.44 52.98 1d4m n ALA 108 Cb 0.65 -0.31 -0.12 0.00 0.00 0.00 0.00 19.45 19.67 1d4m n ALA 108 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1d4m s HIS 109 N -2.36 1.60 0.06 0.00 3.76 -0.78 -1.09 115.29 116.48 1d4m s HIS 109 Ca -0.01 -0.45 -0.10 0.00 -0.15 0.00 0.00 55.06 54.34 1d4m s HIS 109 Cb 0.06 -0.87 0.01 0.00 1.11 0.00 0.00 32.58 32.89 1d4m s HIS 109 CO 0.36 0.18 0.23 1.67 -0.85 0.00 0.00 174.74 176.33 1d4m s TRP 110 N -1.42 0.04 -0.12 1.40 1.48 -0.26 -1.36 118.94 118.70 1d4m s TRP 110 Ca 0.06 -0.32 -0.28 0.00 -1.06 0.00 0.00 56.10 54.49 1d4m s TRP 110 Cb -0.09 0.00 0.07 0.00 -1.16 0.00 0.00 33.47 32.29 1d4m s TRP 110 CO 0.04 -0.50 0.67 0.45 -4.06 0.00 0.00 176.95 173.55 1d4m s SER 111 N -2.40 -0.66 0.00 -2.66 0.15 -0.63 -0.66 113.70 106.84 1d4m s SER 111 Ca -0.01 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1d4m s SER 111 Cb 0.01 0.84 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 1d4m s SER 111 CO -0.07 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1d4m n GLY 112 N 1.56 2.32 3.93 9.45 0.00 -1.26 -0.81 105.19 120.38 1d4m n GLY 112 Ca -0.17 -2.01 -0.25 0.00 0.00 0.00 0.00 46.02 43.59 1d4m n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d4m s SER 113 N 0.00 6.13 0.09 1.61 0.01 -1.26 -4.41 113.70 115.87 1d4m s SER 113 Ca 0.00 0.57 0.05 0.00 1.31 0.00 0.00 55.95 57.88 1d4m s SER 113 Cb 0.00 -1.96 -0.03 0.00 0.21 0.00 0.00 66.02 64.24 1d4m s SER 113 CO 0.00 -0.52 -0.14 -0.04 0.41 0.00 0.00 173.24 172.95 1d4m s MET 114 N -4.54 0.89 -0.19 12.44 -1.94 -0.67 -1.74 119.30 123.55 1d4m s MET 114 Ca 0.45 -1.06 -0.03 0.00 -1.71 0.00 0.00 55.69 53.33 1d4m s MET 114 Cb -0.10 -0.84 -0.01 0.00 2.01 0.00 0.00 34.83 35.89 1d4m s MET 114 CO 0.40 0.17 -0.05 0.15 -0.01 0.00 0.00 175.02 175.68 1d4m s LYS 115 N -2.11 3.46 -0.33 2.03 1.02 -0.27 -0.47 119.74 123.07 1d4m s LYS 115 Ca 0.02 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.38 1d4m s LYS 115 Cb -0.08 -2.95 0.06 0.00 -0.52 0.00 0.00 37.83 34.34 1d4m s LYS 115 CO 0.02 -0.03 0.05 -0.51 -0.92 0.00 0.00 175.35 173.97 1d4m s LEU 116 N 1.06 4.22 -0.18 3.17 1.43 -0.15 -2.06 118.68 126.16 1d4m s LEU 116 Ca 0.01 -1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 51.62 1d4m s LEU 116 Cb -0.15 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1d4m s LEU 116 CO 0.00 -0.32 0.18 -0.89 0.23 0.00 0.00 176.35 175.54 1d4m s THR 117 N 1.26 5.39 -0.12 5.49 2.01 -0.15 -0.75 115.64 128.78 1d4m s THR 117 Ca -0.02 0.29 -0.00 0.00 0.31 0.00 0.00 61.69 62.27 1d4m s THR 117 Cb -0.20 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 1d4m s THR 117 CO -0.01 0.44 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.90 1d4m s PHE 118 N 0.25 2.85 -0.12 4.92 0.08 0.73 -0.06 117.98 126.62 1d4m s PHE 118 Ca 0.11 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.76 1d4m s PHE 118 Cb -0.12 -1.82 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 1d4m s PHE 118 CO 0.00 -0.05 -0.19 0.54 -0.10 0.00 0.00 175.22 175.42 1d4m s VAL 119 N 0.05 1.77 -0.10 -0.44 0.11 -0.27 -0.42 120.40 121.10 1d4m s VAL 119 Ca -0.03 -0.81 -0.27 0.00 -2.93 0.00 0.00 61.98 57.93 1d4m s VAL 119 Cb -0.14 -1.59 -0.02 0.00 -1.53 0.00 0.00 36.38 33.10 1d4m s VAL 119 CO 0.04 0.49 0.91 0.12 -3.33 0.00 0.00 175.10 173.33 1d4m s PHE 120 N 0.87 3.52 -0.30 1.54 5.36 -0.68 -1.37 117.98 126.92 1d4m s PHE 120 Ca -0.08 1.46 0.08 0.00 -0.96 0.00 0.00 56.93 57.44 1d4m s PHE 120 Cb -0.15 -3.07 0.50 0.00 -0.34 0.00 0.00 43.02 39.95 1d4m s PHE 120 CO -0.01 -0.15 1.45 0.00 -1.46 0.00 0.00 175.22 175.05 1d4m n GLY 122 N -1.11 0.66 3.80 0.00 0.00 -1.26 -4.57 105.19 102.71 1d4m n GLY 122 Ca 0.33 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 1d4m n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d4m s SER 123 N -1.00 4.65 0.63 1.61 1.04 -1.26 -4.92 113.70 114.45 1d4m s SER 123 Ca 0.00 1.46 0.41 0.00 0.48 0.00 0.00 55.95 58.30 1d4m s SER 123 Cb 0.00 -2.23 2.12 0.00 0.10 0.00 0.00 66.02 66.01 1d4m s SER 123 CO 0.00 -1.89 2.27 0.00 0.98 0.00 0.00 173.24 174.59 1d4m h ALA 124 N -1.03 1.03 0.00 5.32 0.00 -1.99 -2.65 119.26 119.93 1d4m h ALA 124 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1d4m h ALA 124 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1d4m h ALA 124 CO 0.57 0.01 -0.19 -1.33 0.00 0.00 0.00 179.25 178.31 1d4m n MET 125 N -3.13 0.18 -2.80 0.00 2.81 -1.26 -4.88 117.12 108.05 1d4m n MET 125 Ca -0.02 0.11 -0.32 0.00 -1.81 0.00 0.00 57.70 55.67 1d4m n MET 125 Cb 0.14 -1.68 -0.04 0.00 -0.71 0.00 0.00 33.22 30.92 1d4m n MET 125 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1d4m s ALA 126 N -3.08 3.23 0.17 3.04 0.00 -1.00 -4.43 121.76 119.68 1d4m s ALA 126 Ca 0.10 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.13 1d4m s ALA 126 Cb 0.15 -2.88 -0.05 0.00 0.00 0.00 0.00 23.12 20.34 1d4m s ALA 126 CO 0.62 0.03 -0.04 0.99 0.00 0.00 0.00 175.76 177.36 1d4m s THR 127 N -2.32 0.89 0.00 0.00 2.01 -0.80 -4.93 115.64 110.50 1d4m s THR 127 Ca 0.55 -2.01 0.00 0.00 0.31 0.00 0.00 61.69 60.55 1d4m s THR 127 Cb -0.10 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.39 1d4m s THR 127 CO 0.26 -0.58 0.00 0.61 -0.69 0.00 0.00 174.62 174.21 1d4m n GLY 128 N -0.23 2.20 3.01 4.40 0.00 -1.26 -1.67 105.19 111.64 1d4m n GLY 128 Ca -0.08 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 1d4m n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d4m s LYS 129 N -2.00 1.32 0.06 1.61 1.02 -1.26 -1.51 119.74 118.98 1d4m s LYS 129 Ca 0.00 -0.35 0.06 0.00 0.02 0.00 0.00 55.97 55.70 1d4m s LYS 129 Cb 0.00 -1.16 -0.03 0.00 -0.52 0.00 0.00 37.83 36.13 1d4m s LYS 129 CO 0.00 0.06 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.26 1d4m s PHE 130 N 0.48 1.49 -0.25 3.18 0.08 -0.47 -0.38 117.98 122.10 1d4m s PHE 130 Ca -0.09 -0.39 -0.07 0.00 0.12 0.00 0.00 56.93 56.50 1d4m s PHE 130 Cb -0.13 -0.86 -0.02 0.00 -0.57 0.00 0.00 43.02 41.44 1d4m s PHE 130 CO 0.02 0.09 0.06 -1.17 -0.10 0.00 0.00 175.22 174.12 1d4m s LEU 131 N -1.43 3.43 -0.19 -0.37 0.20 -0.27 -0.49 118.68 119.54 1d4m s LEU 131 Ca 0.03 -0.26 -0.02 0.00 0.69 0.00 0.00 54.13 54.58 1d4m s LEU 131 Cb -0.09 -1.91 -0.00 0.00 -0.43 0.00 0.00 46.19 43.76 1d4m s LEU 131 CO 0.02 -0.05 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.32 1d4m s ILE 132 N 1.60 3.05 0.18 6.68 1.01 -0.60 -0.92 121.20 132.20 1d4m s ILE 132 Ca 0.06 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.16 1d4m s ILE 132 Cb -0.15 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 1d4m s ILE 132 CO 0.03 0.47 -0.13 0.00 0.00 0.00 0.00 174.94 175.31 1d4m s ALA 133 N 1.20 1.79 -0.11 9.38 0.00 -0.09 -1.42 121.76 132.51 1d4m s ALA 133 Ca 0.02 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.41 1d4m s ALA 133 Cb -0.14 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1d4m s ALA 133 CO -0.03 0.00 -0.18 -0.47 0.00 0.00 0.00 175.76 175.08 1d4m s TYR 134 N -3.10 2.20 -0.28 0.00 5.04 0.19 -1.39 117.35 120.02 1d4m s TYR 134 Ca 0.20 -1.02 -0.02 0.00 -2.44 0.00 0.00 57.07 53.79 1d4m s TYR 134 Cb 0.00 -1.54 0.03 0.00 0.35 0.00 0.00 41.96 40.81 1d4m s TYR 134 CO 0.04 -0.48 -0.02 -1.12 -1.34 0.00 0.00 175.55 172.63 1d4m s SER 135 N 0.81 4.64 0.77 4.32 0.01 0.17 -1.95 113.70 122.46 1d4m s SER 135 Ca -0.09 -1.03 -0.15 0.00 1.31 0.00 0.00 55.95 55.98 1d4m s SER 135 Cb -0.16 -1.70 0.03 0.00 0.21 0.00 0.00 66.02 64.40 1d4m s SER 135 CO 0.01 -0.19 0.99 -2.65 0.41 0.00 0.00 173.24 171.80 1d4m n PRO 136 N 4.67 0.33 -1.38 12.44 -0.02 -1.26 -1.93 135.00 147.84 1d4m n PRO 136 Ca -0.15 0.17 -0.36 0.00 -2.02 0.00 0.00 63.50 61.14 1d4m n PRO 136 Cb 0.45 -2.25 0.08 0.00 -0.02 0.00 0.00 33.50 31.76 1d4m n PRO 136 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1d4m n PRO 137 N -2.30 0.52 -3.79 0.52 -0.04 -1.26 -4.80 135.00 123.85 1d4m n PRO 137 Ca 0.13 0.23 -0.01 0.00 -0.04 0.00 0.00 63.50 63.81 1d4m n PRO 137 Cb 0.50 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 1d4m n PRO 137 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1d4m s GLY 138 N -1.52 -0.18 0.51 0.55 0.00 -1.26 -5.02 107.32 100.40 1d4m s GLY 138 Ca 0.72 0.17 0.15 0.00 0.00 0.00 0.00 44.72 45.76 1d4m s GLY 138 CO 0.52 1.72 2.13 0.00 0.00 0.00 0.00 173.10 177.47 1d4m h ALA 139 N 2.00 1.95 -3.72 3.20 0.00 -2.04 -3.43 119.26 117.22 1d4m h ALA 139 Ca -0.27 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.22 1d4m h ALA 139 Cb 1.21 -0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.67 1d4m h ALA 139 CO 0.30 0.04 -0.78 -0.80 0.00 0.00 0.00 179.25 178.01 1d4m s ASN 140 N -7.03 1.09 0.64 0.00 0.01 -1.26 -5.15 114.94 103.23 1d4m s ASN 140 Ca -0.05 -0.16 -0.15 0.00 -0.71 0.00 0.00 52.86 51.79 1d4m s ASN 140 Cb 0.17 -0.34 -0.01 0.00 0.41 0.00 0.00 41.25 41.47 1d4m s ASN 140 CO 0.68 0.03 1.08 -2.16 -1.51 0.00 0.00 177.10 175.22 1d4m s PRO 141 N 0.35 3.05 0.17 -0.60 0.04 -1.26 -4.97 135.00 131.79 1d4m s PRO 141 Ca -0.05 1.23 -0.31 0.00 0.04 0.00 0.00 61.00 61.91 1d4m s PRO 141 Cb -0.10 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1d4m s PRO 141 CO 0.00 -1.03 1.43 -1.25 0.04 0.00 0.00 177.00 176.20 1d4m s PRO 142 N -4.24 4.29 0.00 0.56 0.04 -1.26 -4.91 135.00 129.48 1d4m s PRO 142 Ca 0.64 2.19 0.15 0.00 0.04 0.00 0.00 61.00 64.02 1d4m s PRO 142 Cb -0.17 -3.18 -0.16 0.00 0.04 0.00 0.00 34.50 31.03 1d4m s PRO 142 CO 0.42 -0.44 0.64 1.63 0.04 0.00 0.00 177.00 179.28 1d4m n LYS 143 N 3.34 2.09 -4.07 4.56 5.02 -1.26 -4.92 118.16 122.92 1d4m n LYS 143 Ca 0.10 -0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.27 1d4m n LYS 143 Cb 0.41 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 34.11 1d4m n LYS 143 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1d4m s THR 144 N -2.38 0.33 0.41 -0.18 -1.32 -1.26 -5.03 115.64 106.21 1d4m s THR 144 Ca 0.06 -1.50 0.09 0.00 -1.21 0.00 0.00 61.69 59.13 1d4m s THR 144 Cb 0.11 -1.09 0.28 0.00 -1.51 0.00 0.00 72.50 70.29 1d4m s THR 144 CO 0.60 -0.76 2.03 -0.09 -2.21 0.00 0.00 174.62 174.19 1d4m h ARG 145 N 3.70 0.52 -0.74 7.08 2.43 -1.95 -0.63 114.38 124.77 1d4m h ARG 145 Ca -0.34 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1d4m h ARG 145 Cb 1.17 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 1d4m h ARG 145 CO 0.56 0.34 0.45 -0.22 -1.51 0.00 0.00 179.97 179.59 1d4m h LYS 146 N 0.53 1.01 -0.18 0.20 1.63 -1.95 0.09 116.57 117.90 1d4m h LYS 146 Ca 0.20 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 1d4m h LYS 146 Cb 0.12 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 1d4m h LYS 146 CO -0.05 0.72 -0.01 -0.44 -3.45 0.00 0.00 179.45 176.22 1d4m h ASP 147 N 1.02 0.32 -0.75 4.20 3.32 -1.58 -3.26 116.42 119.69 1d4m h ASP 147 Ca 0.27 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1d4m h ASP 147 Cb -0.03 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1d4m h ASP 147 CO -0.05 0.57 0.40 0.00 -1.72 0.00 0.00 179.24 178.43 1d4m h ALA 148 N 0.77 0.97 0.00 3.45 0.00 -0.87 -3.10 119.26 120.47 1d4m h ALA 148 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1d4m h ALA 148 Cb 0.40 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1d4m h ALA 148 CO 0.01 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1d4m n MET 149 N -4.44 0.04 0.09 0.00 0.00 -0.01 -1.82 117.12 110.98 1d4m n MET 149 Ca 0.07 0.33 0.13 0.00 0.00 0.00 0.00 57.70 58.22 1d4m n MET 149 Cb 0.10 -1.50 0.36 0.00 0.00 0.00 0.00 33.22 32.18 1d4m n MET 149 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1d4m n LEU 150 N -1.41 0.74 0.00 3.17 4.77 -1.17 -4.87 117.00 118.23 1d4m n LEU 150 Ca 0.02 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1d4m n LEU 150 Cb 0.06 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1d4m n LEU 150 CO 0.05 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 1d4m n GLY 151 N 1.33 1.66 3.67 -0.72 0.00 -0.76 -5.03 105.19 105.34 1d4m n GLY 151 Ca 0.05 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1d4m n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4m s THR 152 N 1.10 3.71 0.23 2.61 2.01 -0.82 -4.84 115.64 119.65 1d4m s THR 152 Ca 0.00 1.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.88 1d4m s THR 152 Cb 0.00 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 68.86 1d4m s THR 152 CO 0.00 -0.04 0.45 -1.38 -0.69 0.00 0.00 174.62 172.96 1d4m s HIS 153 N 3.12 0.36 0.02 4.92 -0.00 -1.26 0.55 115.29 122.99 1d4m s HIS 153 Ca 0.66 -0.72 0.01 0.00 -0.00 0.00 0.00 55.06 55.01 1d4m s HIS 153 Cb -0.31 0.15 -0.01 0.00 -0.00 0.00 0.00 32.58 32.41 1d4m s HIS 153 CO 0.26 -0.95 -0.04 -1.50 -0.00 0.00 0.00 174.74 172.50 1d4m s ILE 154 N -4.01 0.28 -0.33 -5.38 2.07 -0.51 -5.00 121.20 108.32 1d4m s ILE 154 Ca 0.22 -0.59 -0.08 0.00 -1.41 0.00 0.00 60.65 58.79 1d4m s ILE 154 Cb -0.00 -0.32 0.03 0.00 0.13 0.00 0.00 42.46 42.29 1d4m s ILE 154 CO 0.08 -0.20 0.12 -0.63 -1.91 0.00 0.00 174.94 172.39 1d4m s ILE 155 N -0.78 4.06 -0.19 2.00 1.01 -1.26 -1.56 121.20 124.48 1d4m s ILE 155 Ca -0.06 -0.90 -0.22 0.00 0.00 0.00 0.00 60.65 59.47 1d4m s ILE 155 Cb -0.06 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 1d4m s ILE 155 CO -0.00 -0.10 0.68 0.86 0.00 0.00 0.00 174.94 176.38 1d4m s TRP 156 N 1.48 3.39 -0.14 3.97 -0.00 0.35 -4.94 118.94 123.05 1d4m s TRP 156 Ca 0.01 1.01 -0.02 0.00 -0.00 0.00 0.00 56.10 57.10 1d4m s TRP 156 Cb -0.19 -2.85 -0.02 0.00 -0.00 0.00 0.00 33.47 30.41 1d4m s TRP 156 CO 0.04 -0.19 -0.08 0.34 -0.00 0.00 0.00 176.95 177.06 1d4m s ASP 157 N 1.19 4.43 0.02 5.86 2.15 -1.26 -1.37 116.67 127.68 1d4m s ASP 157 Ca 0.31 -0.22 -0.27 0.00 0.43 0.00 0.00 52.55 52.80 1d4m s ASP 157 Cb -0.16 -1.69 -0.04 0.00 -0.30 0.00 0.00 42.92 40.73 1d4m s ASP 157 CO 0.11 0.17 0.85 -0.63 -0.17 0.00 0.00 175.17 175.50 1d4m s ILE 158 N 0.32 4.79 0.00 4.11 1.09 -0.57 -4.97 121.20 125.96 1d4m s ILE 158 Ca -0.07 1.80 0.00 0.00 -1.10 0.00 0.00 60.65 61.28 1d4m s ILE 158 Cb -0.15 -4.20 0.00 0.00 -1.06 0.00 0.00 42.46 37.05 1d4m s ILE 158 CO 0.04 0.28 0.00 0.61 -0.10 0.00 0.00 174.94 175.77 1d4m n GLY 159 N 2.65 3.43 0.29 6.18 0.00 -1.26 -4.69 105.19 111.78 1d4m n GLY 159 Ca 0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 1d4m n GLY 159 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1d4m h LEU 160 N 0.00 0.85 -8.55 0.99 4.07 -1.98 -3.36 115.31 107.32 1d4m h LEU 160 Ca 0.00 -0.05 -0.55 0.00 0.08 0.00 0.00 57.88 57.37 1d4m h LEU 160 Cb 0.00 -0.21 -0.07 0.00 1.08 0.00 0.00 40.66 41.46 1d4m h LEU 160 CO 0.00 0.65 1.06 -1.10 -1.08 0.00 0.00 178.44 177.96 1d4m s GLN 161 N -6.03 3.34 0.27 1.13 -1.52 -1.26 -4.89 119.66 110.70 1d4m s GLN 161 Ca -0.13 0.28 0.12 0.00 -1.95 0.00 0.00 55.36 53.69 1d4m s GLN 161 Cb 0.14 -4.10 0.29 0.00 -0.22 0.00 0.00 33.01 29.12 1d4m s GLN 161 CO 0.78 -1.90 1.56 0.66 -0.25 0.00 0.00 175.29 176.14 1d4m h SER 162 N 10.47 0.00 -2.90 5.90 4.64 -1.93 -3.46 113.55 126.27 1d4m h SER 162 Ca -0.26 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.46 1d4m h SER 162 Cb 1.07 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.09 1d4m h SER 162 CO 1.20 0.62 -0.57 -0.44 -0.87 0.00 0.00 176.83 176.77 1d4m s SER 163 N -6.66 5.60 0.00 4.97 0.01 -1.26 -1.69 113.70 114.67 1d4m s SER 163 Ca 0.00 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.22 1d4m s SER 163 Cb 0.11 -1.51 -0.01 0.00 0.21 0.00 0.00 66.02 64.83 1d4m s SER 163 CO 0.75 0.11 -0.04 0.00 0.41 0.00 0.00 173.24 174.48 1d4m s VAL 165 N -0.26 3.40 -0.26 0.00 1.01 -1.26 -0.19 120.40 122.83 1d4m s VAL 165 Ca -0.01 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 1d4m s VAL 165 Cb -0.02 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1d4m s VAL 165 CO -0.00 0.26 0.31 -0.22 0.00 0.00 0.00 175.10 175.46 1d4m s LEU 166 N 1.44 4.05 -0.39 3.92 2.96 0.07 -4.96 118.68 125.78 1d4m s LEU 166 Ca 0.03 0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 54.05 1d4m s LEU 166 Cb -0.16 -2.33 0.04 0.00 0.50 0.00 0.00 46.19 44.23 1d4m s LEU 166 CO -0.02 -0.12 0.24 0.00 -1.32 0.00 0.00 176.35 175.13 1d4m s VAL 168 N 1.56 4.63 0.78 0.00 0.11 0.38 -4.94 120.40 122.92 1d4m s VAL 168 Ca 0.03 0.77 -0.12 0.00 -2.93 0.00 0.00 61.98 59.73 1d4m s VAL 168 Cb -0.20 -4.31 0.06 0.00 -1.53 0.00 0.00 36.38 30.41 1d4m s VAL 168 CO 0.07 -0.62 1.12 -2.16 -3.33 0.00 0.00 175.10 170.17 1d4m s PRO 169 N 3.36 2.08 -0.59 1.54 0.04 -1.26 -1.67 135.00 138.50 1d4m s PRO 169 Ca 0.33 1.34 -0.24 0.00 0.04 0.00 0.00 61.00 62.46 1d4m s PRO 169 Cb -0.12 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 32.60 1d4m s PRO 169 CO 0.21 -1.80 0.99 -0.46 0.04 0.00 0.00 177.00 175.98 1d4m s TRP 170 N -2.67 2.72 -0.26 0.56 -0.11 -1.26 -4.86 118.94 113.05 1d4m s TRP 170 Ca 0.64 -0.07 0.02 0.00 1.22 0.00 0.00 56.10 57.92 1d4m s TRP 170 Cb -0.20 -4.19 0.07 0.00 -1.50 0.00 0.00 33.47 27.65 1d4m s TRP 170 CO 0.53 -1.47 -0.06 0.42 -4.62 0.00 0.00 176.95 171.75 1d4m s ILE 171 N 4.18 1.88 0.07 5.86 1.01 -1.26 -5.02 121.20 127.92 1d4m s ILE 171 Ca 0.30 -1.56 -0.18 0.00 0.00 0.00 0.00 60.65 59.21 1d4m s ILE 171 Cb -0.12 -2.12 0.04 0.00 0.01 0.00 0.00 42.46 40.27 1d4m s ILE 171 CO 0.18 -0.16 0.44 -0.55 0.00 0.00 0.00 174.94 174.85 1d4m s SER 172 N 1.21 -0.31 0.09 3.58 0.15 -1.26 -4.95 113.70 112.21 1d4m s SER 172 Ca -0.04 -0.07 0.05 0.00 0.70 0.00 0.00 55.95 56.59 1d4m s SER 172 Cb -0.19 0.46 -0.23 0.00 -1.71 0.00 0.00 66.02 64.35 1d4m s SER 172 CO -0.07 -0.75 1.17 0.06 1.20 0.00 0.00 173.24 174.86 1d4m h GLN 173 N 2.72 0.06 -6.16 5.44 -0.00 -1.96 -3.46 115.11 111.76 1d4m h GLN 173 Ca -0.32 -0.10 -0.52 0.00 -0.00 0.00 0.00 58.65 57.71 1d4m h GLN 173 Cb 1.23 0.04 -0.04 0.00 -0.00 0.00 0.00 27.48 28.71 1d4m h GLN 173 CO 0.44 1.00 -0.50 0.95 -0.00 0.00 0.00 178.83 180.72 1d4m s THR 174 N -2.68 4.86 0.35 1.86 -4.23 -1.26 -5.01 115.64 109.52 1d4m s THR 174 Ca -0.01 -1.07 0.10 0.00 -1.18 0.00 0.00 61.69 59.54 1d4m s THR 174 Cb 0.09 -3.57 0.08 0.00 1.34 0.00 0.00 72.50 70.44 1d4m s THR 174 CO 0.83 -0.24 1.80 0.45 -0.54 0.00 0.00 174.62 176.93 1d4m h HIS 175 N 1.75 0.12 -3.86 3.99 3.86 -1.97 -3.44 115.15 115.59 1d4m h HIS 175 Ca -0.49 -0.03 -0.35 0.00 -1.16 0.00 0.00 60.37 58.34 1d4m h HIS 175 Cb 1.22 -0.03 -0.20 0.00 1.06 0.00 0.00 27.41 29.46 1d4m h HIS 175 CO 0.53 0.45 -0.75 0.71 0.86 0.00 0.00 177.93 179.73 1d4m s TYR 176 N -4.24 1.04 0.31 2.45 1.51 -1.26 -4.70 117.35 112.46 1d4m s TYR 176 Ca -0.04 -0.54 0.09 0.00 -1.01 0.00 0.00 57.07 55.57 1d4m s TYR 176 Cb 0.14 -0.58 -0.04 0.00 -0.11 0.00 0.00 41.96 41.36 1d4m s TYR 176 CO 0.74 0.01 0.06 1.03 -1.11 0.00 0.00 175.55 176.27 1d4m s ARG 177 N -2.11 2.28 0.23 -0.62 0.52 0.16 -4.92 118.95 114.50 1d4m s ARG 177 Ca -0.01 -1.54 -0.17 0.00 -0.52 0.00 0.00 55.73 53.50 1d4m s ARG 177 Cb -0.07 -2.12 -0.08 0.00 0.52 0.00 0.00 34.95 33.20 1d4m s ARG 177 CO 0.01 0.22 0.68 -0.51 0.02 0.00 0.00 175.30 175.72 1d4m s LEU 178 N -3.75 4.26 0.11 2.53 1.43 -1.26 -1.11 118.68 120.90 1d4m s LEU 178 Ca 0.35 1.29 -0.14 0.00 -1.03 0.00 0.00 54.13 54.60 1d4m s LEU 178 Cb -0.04 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 1d4m s LEU 178 CO 0.21 -0.02 1.49 0.58 0.23 0.00 0.00 176.35 178.84 1d4m h VAL 179 N 2.52 1.29 -0.44 -1.59 2.07 -1.40 -2.98 116.25 115.72 1d4m h VAL 179 Ca -0.48 -1.29 -0.72 0.00 0.82 0.00 0.00 66.70 65.03 1d4m h VAL 179 Cb 1.19 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 32.26 1d4m h VAL 179 CO 0.66 0.42 2.90 1.67 0.02 0.00 0.00 177.57 183.24 1d4m n GLN 180 N -4.31 3.29 -1.63 1.57 -0.06 -1.26 -3.94 117.38 111.04 1d4m n GLN 180 Ca -0.02 -2.85 -0.41 0.00 -2.00 0.00 0.00 57.00 51.72 1d4m n GLN 180 Cb 0.40 -3.08 0.01 0.00 -4.06 0.00 0.00 30.24 23.52 1d4m n GLN 180 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1d4m n GLN 181 N 4.86 1.48 -3.12 3.69 6.02 -1.13 -5.04 117.38 124.14 1d4m n GLN 181 Ca 0.53 0.53 -0.12 0.00 -0.01 0.00 0.00 57.00 57.93 1d4m n GLN 181 Cb 0.35 -2.12 -0.03 0.00 1.02 0.00 0.00 30.24 29.45 1d4m n GLN 181 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1d4m n ASP 182 N 0.41 1.02 -0.22 1.08 3.85 -1.26 -5.03 116.55 116.40 1d4m n ASP 182 Ca 0.09 -2.02 -0.08 0.00 -0.71 0.00 0.00 54.79 52.07 1d4m n ASP 182 Cb 0.39 0.50 0.03 0.00 -1.35 0.00 0.00 41.12 40.69 1d4m n ASP 182 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1d4m h GLU 183 N 0.00 0.99 -0.61 0.11 4.57 -1.99 -1.94 114.58 115.71 1d4m h GLU 183 Ca -0.15 -0.24 0.04 0.00 -1.18 0.00 0.00 59.36 57.83 1d4m h GLU 183 Cb 0.57 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 1d4m h GLU 183 CO 0.23 0.90 0.40 -0.92 -1.18 0.00 0.00 179.01 178.45 1d4m h TYR 184 N 0.90 0.68 -0.65 0.92 3.20 -2.02 -1.05 116.97 118.95 1d4m h TYR 184 Ca 0.19 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 1d4m h TYR 184 Cb 0.36 -0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.33 1d4m h TYR 184 CO 0.03 0.39 0.15 2.41 -1.64 0.00 0.00 178.16 179.49 1d4m n THR 185 N -4.47 2.85 -1.73 1.81 -1.04 -0.98 -5.01 114.28 105.72 1d4m n THR 185 Ca 0.07 -1.57 -0.42 0.00 -2.04 0.00 0.00 64.05 60.09 1d4m n THR 185 Cb 0.15 -0.32 -0.01 0.00 -1.82 0.00 0.00 70.33 68.33 1d4m n THR 185 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1d4m n SER 186 N 0.13 3.29 -0.00 8.00 2.88 -0.40 -4.67 113.62 122.85 1d4m n SER 186 Ca 0.35 1.20 0.05 0.00 -1.33 0.00 0.00 58.87 59.14 1d4m n SER 186 Cb 1.29 -1.55 -0.07 0.00 -0.75 0.00 0.00 64.21 63.14 1d4m n SER 186 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1d4m n ALA 187 N 0.73 2.90 0.00 -1.46 0.00 -1.26 -4.72 120.51 116.70 1d4m n ALA 187 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1d4m n ALA 187 Cb 0.37 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1d4m n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d4m n GLY 188 N 1.54 -0.96 3.18 0.00 0.00 -1.26 -4.18 105.19 103.52 1d4m n GLY 188 Ca 0.00 -2.13 -0.16 0.00 0.00 0.00 0.00 46.02 43.73 1d4m n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1d4m s TYR 189 N 0.00 1.15 -0.13 1.61 2.02 -0.81 -0.93 117.35 120.26 1d4m s TYR 189 Ca 0.00 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.14 1d4m s TYR 189 Cb 0.00 -0.63 0.01 0.00 -0.40 0.00 0.00 41.96 40.95 1d4m s TYR 189 CO 0.00 0.04 -0.18 0.08 -1.57 0.00 0.00 175.55 173.92 1d4m s VAL 190 N -2.04 1.76 0.12 0.71 1.01 0.13 -0.65 120.40 121.44 1d4m s VAL 190 Ca 0.04 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1d4m s VAL 190 Cb -0.05 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1d4m s VAL 190 CO 0.01 0.49 -0.12 0.42 0.00 0.00 0.00 175.10 175.91 1d4m s THR 191 N 0.97 1.16 -0.02 3.92 -4.23 -0.49 -0.50 115.64 116.45 1d4m s THR 191 Ca -0.05 -1.74 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 1d4m s THR 191 Cb -0.15 -1.51 -0.01 0.00 1.34 0.00 0.00 72.50 72.17 1d4m s THR 191 CO -0.03 -0.52 -0.13 0.00 -0.54 0.00 0.00 174.62 173.40 1d4m s TRP 193 N -0.18 0.80 -0.02 0.00 0.52 -0.10 0.26 118.94 120.22 1d4m s TRP 193 Ca 0.03 -0.85 -0.30 0.00 0.02 0.00 0.00 56.10 55.00 1d4m s TRP 193 Cb -0.07 -0.48 -0.04 0.00 -1.15 0.00 0.00 33.47 31.74 1d4m s TRP 193 CO -0.00 -0.16 1.24 0.71 0.02 0.00 0.00 176.95 178.76 1d4m s TYR 194 N -3.21 3.18 -0.13 -1.98 1.51 0.08 -1.12 117.35 115.69 1d4m s TYR 194 Ca 0.07 1.16 -0.23 0.00 -1.01 0.00 0.00 57.07 57.06 1d4m s TYR 194 Cb 0.02 -3.47 -0.26 0.00 -0.11 0.00 0.00 41.96 38.15 1d4m s TYR 194 CO -0.04 -1.53 0.61 0.37 -1.11 0.00 0.00 175.55 173.86 1d4m h GLN 195 N 7.38 0.12 0.00 -0.62 5.75 -1.01 -3.36 115.11 123.37 1d4m h GLN 195 Ca -0.37 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 57.93 1d4m h GLN 195 Cb 1.18 0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.80 1d4m h GLN 195 CO 0.87 1.10 0.00 0.25 -2.65 0.00 0.00 178.83 178.40 1d4m n THR 196 N -4.30 0.00 -3.61 2.39 -2.24 -1.08 -4.84 114.28 100.59 1d4m n THR 196 Ca -0.19 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.57 1d4m n THR 196 Cb 0.70 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 1d4m n THR 196 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1d4m s GLY 197 N -0.54 -0.31 -0.47 3.38 0.00 -1.26 -4.71 107.32 103.42 1d4m s GLY 197 Ca 0.00 1.47 -0.25 0.00 0.00 0.00 0.00 44.72 45.94 1d4m s GLY 197 CO 0.00 0.45 0.93 -0.29 0.00 0.00 0.00 173.10 174.19 1d4m s MET 198 N -2.24 3.52 0.03 2.90 1.75 -1.26 -4.11 119.30 119.89 1d4m s MET 198 Ca 0.12 0.14 -0.01 0.00 -1.25 0.00 0.00 55.69 54.69 1d4m s MET 198 Cb 0.01 -3.93 -0.04 0.00 2.84 0.00 0.00 34.83 33.71 1d4m s MET 198 CO -0.04 -1.24 0.19 0.42 -0.65 0.00 0.00 175.02 173.70 1d4m s ILE 199 N 3.77 5.32 0.01 10.11 1.09 -0.67 -4.31 121.20 136.52 1d4m s ILE 199 Ca 0.37 -0.33 0.00 0.00 -1.10 0.00 0.00 60.65 59.59 1d4m s ILE 199 Cb -0.10 -3.55 -0.01 0.00 -1.06 0.00 0.00 42.46 37.74 1d4m s ILE 199 CO 0.26 0.22 -0.02 -0.69 -0.10 0.00 0.00 174.94 174.60 1d4m s VAL 200 N -1.42 0.10 0.78 2.92 1.01 -1.26 -1.90 120.40 120.64 1d4m s VAL 200 Ca 0.31 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1d4m s VAL 200 Cb -0.13 -0.20 0.15 0.00 0.00 0.00 0.00 36.38 36.20 1d4m s VAL 200 CO 0.24 -0.34 1.08 -2.16 0.00 0.00 0.00 175.10 173.92 1d4m s PRO 201 N -1.01 1.38 0.51 2.72 0.04 -1.26 -5.03 135.00 132.34 1d4m s PRO 201 Ca -0.11 -1.03 -0.22 0.00 0.04 0.00 0.00 61.00 59.68 1d4m s PRO 201 Cb -0.07 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 1d4m s PRO 201 CO -0.01 -1.71 1.24 -2.14 0.04 0.00 0.00 177.00 174.42 1d4m s PRO 202 N -5.32 3.43 -0.06 0.56 0.02 -1.26 -3.83 135.00 128.54 1d4m s PRO 202 Ca 0.69 1.95 -0.00 0.00 0.02 0.00 0.00 61.00 63.66 1d4m s PRO 202 Cb -0.04 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 32.19 1d4m s PRO 202 CO 0.47 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 1d4m n GLY 203 N 0.55 0.40 3.16 0.52 0.00 -1.26 -5.06 105.19 103.49 1d4m n GLY 203 Ca 0.09 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 1d4m n GLY 203 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1d4m s THR 204 N -2.14 0.89 0.70 2.61 -4.23 -1.25 -5.14 115.64 107.08 1d4m s THR 204 Ca 0.00 -1.51 -0.16 0.00 -1.18 0.00 0.00 61.69 58.84 1d4m s THR 204 Cb -0.00 -1.21 -0.00 0.00 1.34 0.00 0.00 72.50 72.63 1d4m s THR 204 CO 0.00 -0.49 1.03 -2.65 -0.54 0.00 0.00 174.62 171.97 1d4m n PRO 205 N 0.79 0.64 0.17 3.99 -0.02 -1.26 -4.95 135.00 134.36 1d4m n PRO 205 Ca -0.18 0.27 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 1d4m n PRO 205 Cb 0.57 -2.27 0.20 0.00 -0.02 0.00 0.00 33.50 31.98 1d4m n PRO 205 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1d4m h ASN 206 N -0.05 0.00 -5.11 2.55 -0.26 -2.00 -3.46 115.58 107.24 1d4m h ASN 206 Ca -0.48 -0.01 -0.14 0.00 -0.56 0.00 0.00 56.30 55.10 1d4m h ASN 206 Cb 1.34 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 38.45 1d4m h ASN 206 CO 0.48 0.01 -0.68 -0.94 -1.06 0.00 0.00 177.43 175.24 1d4m s SER 207 N -5.60 0.60 0.24 5.81 1.04 -1.26 -1.85 113.70 112.68 1d4m s SER 207 Ca 0.07 -0.97 -0.08 0.00 0.48 0.00 0.00 55.95 55.45 1d4m s SER 207 Cb 0.08 0.18 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 1d4m s SER 207 CO 0.67 -0.56 0.35 -0.44 0.98 0.00 0.00 173.24 174.24 1d4m s SER 208 N -2.86 0.07 0.09 7.02 0.01 -0.00 -5.00 113.70 113.02 1d4m s SER 208 Ca 0.07 -1.14 0.06 0.00 1.31 0.00 0.00 55.95 56.25 1d4m s SER 208 Cb 0.07 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.77 1d4m s SER 208 CO -0.09 -1.04 -0.06 -0.44 0.41 0.00 0.00 173.24 172.02 1d4m s SER 209 N -3.09 4.63 0.00 2.44 0.01 -1.26 -1.21 113.70 115.23 1d4m s SER 209 Ca 0.29 -0.30 0.08 0.00 1.31 0.00 0.00 55.95 57.33 1d4m s SER 209 Cb 0.02 -0.98 -0.02 0.00 0.21 0.00 0.00 66.02 65.25 1d4m s SER 209 CO 0.11 0.18 -0.25 -0.63 0.41 0.00 0.00 173.24 173.07 1d4m s ILE 210 N -1.23 1.95 0.16 1.44 1.01 0.11 -1.18 121.20 123.46 1d4m s ILE 210 Ca 0.23 -1.14 0.09 0.00 0.00 0.00 0.00 60.65 59.83 1d4m s ILE 210 Cb -0.11 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1d4m s ILE 210 CO 0.15 0.47 -0.12 -0.04 0.00 0.00 0.00 174.94 175.40 1d4m s MET 211 N -0.78 1.97 -0.11 2.79 -1.94 -0.47 -0.94 119.30 119.81 1d4m s MET 211 Ca 0.10 -1.24 0.02 0.00 -1.71 0.00 0.00 55.69 52.86 1d4m s MET 211 Cb -0.09 -2.14 0.01 0.00 2.01 0.00 0.00 34.83 34.62 1d4m s MET 211 CO 0.00 0.45 -0.17 0.00 -0.01 0.00 0.00 175.02 175.29 1d4m s PHE 213 N 0.89 2.82 0.00 0.00 2.99 0.91 -0.14 117.98 125.45 1d4m s PHE 213 Ca -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 56.93 56.71 1d4m s PHE 213 Cb -0.15 -1.38 -0.00 0.00 0.00 0.00 0.00 43.02 41.49 1d4m s PHE 213 CO -0.01 0.51 -0.01 0.00 -0.00 0.00 0.00 175.22 175.71 1d4m s ALA 214 N -1.68 0.05 0.23 5.36 0.00 -0.94 -0.97 121.76 123.81 1d4m s ALA 214 Ca 0.27 -0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.89 1d4m s ALA 214 Cb -0.09 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1d4m s ALA 214 CO 0.18 -0.02 0.63 -1.54 0.00 0.00 0.00 175.76 175.00 1d4m s SER 215 N -0.30 -0.33 0.39 0.00 1.04 -0.87 -2.71 113.70 110.92 1d4m s SER 215 Ca -0.03 -0.44 -0.06 0.00 0.48 0.00 0.00 55.95 55.89 1d4m s SER 215 Cb -0.02 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.70 1d4m s SER 215 CO -0.00 -1.17 0.70 0.00 0.98 0.00 0.00 173.24 173.74 1d4m s ALA 216 N -3.87 3.47 0.70 5.32 0.00 -0.35 -1.11 121.76 125.92 1d4m s ALA 216 Ca 0.09 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.61 1d4m s ALA 216 Cb -0.03 -2.51 0.13 0.00 0.00 0.00 0.00 23.12 20.71 1d4m s ALA 216 CO -0.00 -0.04 0.97 0.00 0.00 0.00 0.00 175.76 176.69 1d4m n ASN 218 N -2.75 0.00 -0.96 0.00 6.94 -1.26 -2.40 115.26 114.82 1d4m n ASN 218 Ca 0.16 -0.31 0.09 0.00 -0.02 0.00 0.00 54.58 54.50 1d4m n ASN 218 Cb 0.61 -0.15 0.21 0.00 -2.36 0.00 0.00 39.78 38.09 1d4m n ASN 218 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1d4m n ASP 219 N -1.15 3.28 -4.81 0.53 5.75 -1.26 -4.99 116.55 113.90 1d4m n ASP 219 Ca 0.13 -1.95 -0.39 0.00 -0.01 0.00 0.00 54.79 52.57 1d4m n ASP 219 Cb 0.12 -0.30 -0.06 0.00 -1.03 0.00 0.00 41.12 39.86 1d4m n ASP 219 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1d4m s PHE 220 N -1.10 3.78 0.12 2.11 2.19 -1.01 -4.19 117.98 119.89 1d4m s PHE 220 Ca 0.34 1.22 -0.19 0.00 0.33 0.00 0.00 56.93 58.63 1d4m s PHE 220 Cb 0.18 -2.48 0.05 0.00 -1.31 0.00 0.00 43.02 39.46 1d4m s PHE 220 CO 0.25 0.57 0.46 -1.54 1.83 0.00 0.00 175.22 176.79 1d4m s SER 221 N -1.00 -0.34 0.20 6.13 1.04 0.01 -4.98 113.70 114.77 1d4m s SER 221 Ca 0.28 -0.17 0.10 0.00 0.48 0.00 0.00 55.95 56.63 1d4m s SER 221 Cb -0.19 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1d4m s SER 221 CO 0.18 -0.86 -0.19 0.68 0.98 0.00 0.00 173.24 174.03 1d4m s VAL 222 N -3.60 2.03 0.11 5.02 -7.23 -1.26 -1.60 120.40 113.86 1d4m s VAL 222 Ca 0.01 -2.11 -0.02 0.00 -1.81 0.00 0.00 61.98 58.06 1d4m s VAL 222 Cb 0.01 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 1d4m s VAL 222 CO -0.11 -0.37 0.05 -0.13 -0.31 0.00 0.00 175.10 174.23 1d4m s ARG 223 N -3.12 0.86 -0.37 4.82 0.52 -0.46 -4.98 118.95 116.22 1d4m s ARG 223 Ca 0.21 -1.37 -0.11 0.00 -0.52 0.00 0.00 55.73 53.95 1d4m s ARG 223 Cb -0.05 0.24 0.01 0.00 0.52 0.00 0.00 34.95 35.68 1d4m s ARG 223 CO 0.09 -0.23 0.40 -0.12 0.02 0.00 0.00 175.30 175.46 1d4m n MET 224 N -0.05 -2.52 -1.70 3.54 0.00 -1.26 -1.86 117.12 113.27 1d4m n MET 224 Ca -0.08 2.19 -0.44 0.00 0.00 0.00 0.00 57.70 59.38 1d4m n MET 224 Cb 0.63 -5.31 -0.02 0.00 0.00 0.00 0.00 33.22 28.52 1d4m n MET 224 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1d4m n LEU 225 N -0.04 3.60 -3.80 -0.89 7.99 -1.26 -0.97 117.00 121.63 1d4m n LEU 225 Ca 0.08 1.14 -0.10 0.00 -0.01 0.00 0.00 56.01 57.13 1d4m n LEU 225 Cb 0.31 -1.49 -0.06 0.00 -0.11 0.00 0.00 43.42 42.07 1d4m n LEU 225 CO 0.44 -0.23 0.06 0.00 -1.51 0.00 0.00 177.39 176.15 1d4m s ARG 226 N -0.41 1.09 0.52 3.23 1.70 0.33 -4.86 118.95 120.54 1d4m s ARG 226 Ca 0.67 -0.93 -0.19 0.00 -0.47 0.00 0.00 55.73 54.81 1d4m s ARG 226 Cb -0.59 0.42 -0.07 0.00 -0.57 0.00 0.00 34.95 34.14 1d4m s ARG 226 CO 0.49 -0.41 1.04 -0.51 -1.08 0.00 0.00 175.30 174.83 1d4m s ASP 227 N -2.87 6.20 0.18 -2.89 1.01 -1.26 -4.22 116.67 112.82 1d4m s ASP 227 Ca 0.08 1.88 -0.19 0.00 0.71 0.00 0.00 52.55 55.03 1d4m s ASP 227 Cb 0.03 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.33 1d4m s ASP 227 CO -0.07 -0.88 0.68 0.28 0.21 0.00 0.00 175.17 175.39 1d4m s THR 228 N -2.15 4.62 -0.99 -1.27 -1.32 -1.24 -4.79 115.64 108.50 1d4m s THR 228 Ca 0.66 1.23 0.25 0.00 -1.21 0.00 0.00 61.69 62.62 1d4m s THR 228 Cb -0.16 -3.87 0.21 0.00 -1.51 0.00 0.00 72.50 67.17 1d4m s THR 228 CO 0.25 0.29 1.81 -2.65 -2.21 0.00 0.00 174.62 172.11 1d4m n PRO 229 N 0.95 0.01 -0.02 7.08 -0.02 -1.26 -4.00 135.00 137.73 1d4m n PRO 229 Ca -0.04 0.07 0.05 0.00 -2.02 0.00 0.00 63.50 61.56 1d4m n PRO 229 Cb 0.51 -1.51 0.27 0.00 -0.02 0.00 0.00 33.50 32.75 1d4m n PRO 229 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1d4m n PHE 230 N -1.52 0.05 -3.76 6.00 3.72 -1.26 -4.83 117.46 115.85 1d4m n PHE 230 Ca 0.06 -0.02 -0.13 0.00 -0.05 0.00 0.00 57.45 57.31 1d4m n PHE 230 Cb 0.30 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.72 1d4m n PHE 230 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1d4m s ILE 231 N -1.95 -0.01 0.37 4.37 1.10 -1.26 -5.17 121.20 118.66 1d4m s ILE 231 Ca 0.16 0.02 -0.12 0.00 -0.51 0.00 0.00 60.65 60.20 1d4m s ILE 231 Cb 0.08 -0.43 0.04 0.00 0.15 0.00 0.00 42.46 42.29 1d4m s ILE 231 CO 0.12 0.01 0.69 -0.94 -2.11 0.00 0.00 174.94 172.71 1d4m s SER 232 N 0.36 0.26 -0.02 4.50 1.04 -1.26 -4.99 113.70 113.59 1d4m s SER 232 Ca -0.02 -1.22 -0.29 0.00 0.48 0.00 0.00 55.95 54.90 1d4m s SER 232 Cb -0.03 0.79 0.08 0.00 0.10 0.00 0.00 66.02 66.95 1d4m s SER 232 CO -0.01 -1.55 0.72 0.00 0.98 0.00 0.00 173.24 173.37 1d4m s GLN 233 N -2.63 1.03 -0.06 4.02 -2.07 -1.26 -5.03 119.66 113.65 1d4m s GLN 233 Ca 0.20 0.08 0.16 0.00 -1.82 0.00 0.00 55.36 53.98 1d4m s GLN 233 Cb -0.04 0.48 -0.24 0.00 -1.09 0.00 0.00 33.01 32.13 1d4m s GLN 233 CO 0.14 -0.35 0.27 -0.25 -1.32 0.00 0.00 175.29 173.78 1d4m n ASP 234 N 0.59 1.21 -4.03 12.60 9.92 -1.26 -5.03 116.55 130.55 1d4m n ASP 234 Ca -0.17 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.01 1d4m n ASP 234 Cb 0.59 1.50 -0.09 0.00 -0.64 0.00 0.00 41.12 42.48 1d4m n ASP 234 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1d4m s ASN 235 N -4.20 0.36 0.52 -2.24 -0.87 -1.26 -5.13 114.94 102.13 1d4m s ASN 235 Ca -0.07 -0.93 -0.22 0.00 -1.57 0.00 0.00 52.86 50.08 1d4m s ASN 235 Cb 0.09 0.25 -0.05 0.00 -0.02 0.00 0.00 41.25 41.52 1d4m s ASN 235 CO 0.67 -0.66 1.29 -0.54 -2.57 0.00 0.00 177.10 175.30 1d4m s LYS 236 N -3.92 3.31 -0.22 -0.60 1.02 -1.26 -4.92 119.74 113.15 1d4m s LYS 236 Ca 0.08 2.07 -0.29 0.00 0.02 0.00 0.00 55.97 57.86 1d4m s LYS 236 Cb 0.07 -2.28 0.01 0.00 -0.52 0.00 0.00 37.83 35.11 1d4m s LYS 236 CO -0.09 -1.00 1.02 -0.51 -0.92 0.00 0.00 175.35 173.85 1d4m s LEU 237 N -3.41 4.11 0.00 3.17 1.02 -1.26 -5.22 118.68 117.09 1d4m s LEU 237 Ca 0.70 1.36 0.00 0.00 0.02 0.00 0.00 54.13 56.20 1d4m s LEU 237 Cb -0.36 -3.51 0.00 0.00 0.02 0.00 0.00 46.19 42.34 1d4m s LEU 237 CO 0.43 -0.64 0.00 0.00 0.02 0.00 0.00 176.35 176.15