#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpd s SER 8 N 0.00 4.59 0.00 4.04 1.04 -1.26 -5.03 113.70 117.08 2wpd s SER 8 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2wpd s SER 8 Cb 0.00 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.89 2wpd s SER 8 CO 0.00 0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.16 2wpd n GLY 9 N 2.41 -2.34 2.89 7.32 0.00 -1.26 -4.95 105.19 109.26 2wpd n GLY 9 Ca -0.18 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.06 2wpd n GLY 9 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wpd s LEU 10 N 0.00 1.28 -0.21 0.99 0.20 -1.25 -4.76 118.68 114.93 2wpd s LEU 10 Ca 0.00 -0.13 -0.29 0.00 0.69 0.00 0.00 54.13 54.39 2wpd s LEU 10 Cb 0.00 -0.47 0.00 0.00 -0.43 0.00 0.00 46.19 45.29 2wpd s LEU 10 CO 0.00 -0.06 1.10 -0.54 -0.29 0.00 0.00 176.35 176.56 2wpd s LYS 11 N 1.01 4.26 -0.09 1.98 1.02 -1.14 -1.37 119.74 125.42 2wpd s LYS 11 Ca -0.10 1.44 -0.10 0.00 0.02 0.00 0.00 55.97 57.24 2wpd s LYS 11 Cb -0.14 -3.67 -0.05 0.00 -0.52 0.00 0.00 37.83 33.45 2wpd s LYS 11 CO -0.00 -0.64 0.23 -1.17 -0.92 0.00 0.00 175.35 172.84 2wpd s LEU 12 N 3.24 4.40 -0.58 3.17 2.96 0.14 -2.42 118.68 129.60 2wpd s LEU 12 Ca 0.47 0.61 0.05 0.00 -0.22 0.00 0.00 54.13 55.04 2wpd s LEU 12 Cb -0.17 -2.24 0.18 0.00 0.50 0.00 0.00 46.19 44.46 2wpd s LEU 12 CO 0.09 0.36 0.45 0.00 -1.32 0.00 0.00 176.35 175.93 2wpd n GLN 13 N 2.05 1.19 -3.13 1.98 6.02 -0.83 -1.97 117.38 122.69 2wpd n GLN 13 Ca -0.18 -3.95 -0.44 0.00 -0.01 0.00 0.00 57.00 52.43 2wpd n GLN 13 Cb 0.54 -2.01 -0.06 0.00 1.02 0.00 0.00 30.24 29.73 2wpd n GLN 13 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2wpd s PHE 14 N -0.92 3.03 0.17 1.08 2.19 -0.55 -2.32 117.98 120.66 2wpd s PHE 14 Ca 0.29 -0.54 0.05 0.00 0.33 0.00 0.00 56.93 57.06 2wpd s PHE 14 Cb 0.01 -3.60 -0.05 0.00 -1.31 0.00 0.00 43.02 38.07 2wpd s PHE 14 CO -0.17 -1.07 -0.09 0.00 1.83 0.00 0.00 175.22 175.72 2wpd s ALA 15 N 2.71 1.59 0.17 11.12 0.00 -1.10 -1.38 121.76 134.87 2wpd s ALA 15 Ca 0.16 -1.57 0.02 0.00 0.00 0.00 0.00 51.96 50.58 2wpd s ALA 15 Cb -0.19 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 2wpd s ALA 15 CO 0.12 -0.11 -0.02 -0.51 0.00 0.00 0.00 175.76 175.24 2wpd s LEU 16 N -3.21 2.25 0.00 0.00 1.43 0.38 -3.47 118.68 116.05 2wpd s LEU 16 Ca 0.20 -1.13 0.08 0.00 -1.03 0.00 0.00 54.13 52.24 2wpd s LEU 16 Cb 0.03 -0.13 0.46 0.00 0.03 0.00 0.00 46.19 46.58 2wpd s LEU 16 CO 0.03 -0.51 0.89 -0.81 0.23 0.00 0.00 176.35 176.18 2wpd n PRO 17 N -0.23 0.44 0.00 1.29 -0.04 -1.26 -2.99 135.00 132.20 2wpd n PRO 17 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2wpd n PRO 17 Cb 0.62 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 2wpd n PRO 17 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2wpd n HIS 18 N -0.78 0.00 -3.68 0.54 1.44 -1.26 -5.11 115.22 106.38 2wpd n HIS 18 Ca 0.06 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.64 2wpd n HIS 18 Cb 0.03 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.05 2wpd n HIS 18 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 2wpd s GLU 19 N -0.60 0.66 -0.19 -1.40 2.56 -1.16 -5.15 118.70 113.42 2wpd s GLU 19 Ca 0.00 0.82 -0.05 0.00 0.00 0.00 0.00 54.97 55.74 2wpd s GLU 19 Cb 0.00 0.30 -0.02 0.00 2.00 0.00 0.00 34.13 36.41 2wpd s GLU 19 CO 0.00 -0.09 -0.01 0.95 -0.56 0.00 0.00 175.26 175.56 2wpd s THR 20 N 0.43 3.95 0.00 -1.70 -4.23 -1.26 -0.47 115.64 112.35 2wpd s THR 20 Ca -0.01 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 2wpd s THR 20 Cb -0.04 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.03 2wpd s THR 20 CO -0.01 0.44 0.00 0.18 -0.54 0.00 0.00 174.62 174.69 2wpd n LEU 21 N 4.08 0.06 -4.78 4.79 4.77 -0.48 -4.98 117.00 120.47 2wpd n LEU 21 Ca -0.17 0.18 -0.34 0.00 -0.03 0.00 0.00 56.01 55.65 2wpd n LEU 21 Cb 0.52 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 2wpd n LEU 21 CO 0.32 -0.47 -0.25 -0.31 -1.33 0.00 0.00 177.39 175.35 2wpd s TYR 22 N -0.94 3.32 -0.29 -1.77 2.02 -0.78 -4.97 117.35 113.94 2wpd s TYR 22 Ca 0.00 0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.98 2wpd s TYR 22 Cb 0.00 -1.78 0.16 0.00 -0.40 0.00 0.00 41.96 39.94 2wpd s TYR 22 CO 0.00 0.57 0.41 -1.12 -1.57 0.00 0.00 175.55 173.84 2wpd s SER 23 N -1.48 0.40 -1.04 2.29 0.01 -1.21 -1.49 113.70 111.17 2wpd s SER 23 Ca 0.20 -0.41 -0.02 0.00 1.31 0.00 0.00 55.95 57.04 2wpd s SER 23 Cb -0.12 1.10 0.00 0.00 0.21 0.00 0.00 66.02 67.21 2wpd s SER 23 CO 0.10 -0.35 0.22 0.61 0.41 0.00 0.00 173.24 174.23 2wpd n GLY 24 N 5.34 -0.12 3.72 3.44 0.00 -0.83 -5.00 105.19 111.74 2wpd n GLY 24 Ca 0.01 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 2wpd n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wpd s SER 25 N -2.64 5.88 0.11 1.61 0.15 -1.12 -4.79 113.70 112.90 2wpd s SER 25 Ca 0.11 0.21 -0.30 0.00 0.70 0.00 0.00 55.95 56.67 2wpd s SER 25 Cb -0.05 -1.95 -0.06 0.00 -1.71 0.00 0.00 66.02 62.24 2wpd s SER 25 CO 0.14 0.26 1.18 -1.61 1.20 0.00 0.00 173.24 174.40 2wpd s GLU 26 N -0.13 4.48 0.07 5.44 2.02 -1.26 0.28 118.70 129.60 2wpd s GLU 26 Ca 0.08 1.77 0.06 0.00 0.02 0.00 0.00 54.97 56.91 2wpd s GLU 26 Cb -0.12 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 2wpd s GLU 26 CO 0.01 -0.16 -0.17 0.54 0.02 0.00 0.00 175.26 175.50 2wpd s VAL 27 N 0.59 1.37 -0.12 2.63 0.11 -0.47 -4.93 120.40 119.58 2wpd s VAL 27 Ca 0.56 -1.32 -0.24 0.00 -2.93 0.00 0.00 61.98 58.04 2wpd s VAL 27 Cb -0.30 -1.26 -0.27 0.00 -1.53 0.00 0.00 36.38 33.02 2wpd s VAL 27 CO 0.32 -0.08 0.71 0.71 -3.33 0.00 0.00 175.10 173.42 2wpd h THR 28 N 4.27 1.51 -2.38 5.04 1.35 -1.87 -3.31 112.91 117.52 2wpd h THR 28 Ca -0.42 -2.39 -0.08 0.00 -0.55 0.00 0.00 66.41 62.97 2wpd h THR 28 Cb 1.18 3.11 -0.20 0.00 -1.73 0.00 0.00 68.15 70.51 2wpd h THR 28 CO 0.41 0.61 0.00 -1.58 -0.25 0.00 0.00 175.52 174.72 2wpd s GLN 29 N -2.33 0.86 0.01 4.72 0.74 -1.24 -3.97 119.66 118.45 2wpd s GLN 29 Ca -0.19 0.25 0.01 0.00 0.05 0.00 0.00 55.36 55.47 2wpd s GLN 29 Cb 0.00 0.40 -0.01 0.00 1.10 0.00 0.00 33.01 34.50 2wpd s GLN 29 CO 0.73 -0.23 -0.03 0.14 -0.55 0.00 0.00 175.29 175.35 2wpd s VAL 30 N -0.90 0.16 -0.28 1.34 -7.23 -0.98 0.35 120.40 112.87 2wpd s VAL 30 Ca -0.09 -0.45 0.01 0.00 -1.81 0.00 0.00 61.98 59.63 2wpd s VAL 30 Cb -0.02 -0.21 0.08 0.00 0.56 0.00 0.00 36.38 36.79 2wpd s VAL 30 CO 0.06 -0.18 0.03 0.20 -0.31 0.00 0.00 175.10 174.90 2wpd s ASN 31 N -0.67 4.06 -0.09 4.85 0.01 -1.00 -2.05 114.94 120.05 2wpd s ASN 31 Ca -0.06 -1.55 0.01 0.00 -0.71 0.00 0.00 52.86 50.56 2wpd s ASN 31 Cb -0.05 -1.12 0.02 0.00 0.41 0.00 0.00 41.25 40.51 2wpd s ASN 31 CO -0.00 -0.34 -0.10 -1.48 -1.51 0.00 0.00 177.10 173.66 2wpd s LEU 32 N 1.40 1.46 0.20 0.60 0.05 -1.14 -2.16 118.68 119.09 2wpd s LEU 32 Ca 0.04 -0.31 -0.33 0.00 0.05 0.00 0.00 54.13 53.59 2wpd s LEU 32 Cb -0.18 -0.85 -0.13 0.00 -2.05 0.00 0.00 46.19 42.98 2wpd s LEU 32 CO -0.14 -0.03 1.62 -2.65 -0.55 0.00 0.00 176.35 174.60 2wpd n PRO 33 N 4.31 2.43 -4.48 1.48 -0.02 -1.26 -3.25 135.00 134.22 2wpd n PRO 33 Ca -0.18 0.87 -0.25 0.00 -2.02 0.00 0.00 63.50 61.92 2wpd n PRO 33 Cb 0.51 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.23 2wpd n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wpd s ALA 34 N 0.81 2.84 0.13 3.55 0.00 -0.89 -3.08 121.76 125.12 2wpd s ALA 34 Ca 0.75 -1.93 -0.20 0.00 0.00 0.00 0.00 51.96 50.58 2wpd s ALA 34 Cb -0.59 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 2wpd s ALA 34 CO 0.38 0.22 1.71 -0.22 0.00 0.00 0.00 175.76 177.85 2wpd h LYS 35 N 2.17 0.03 -0.37 0.00 1.63 -1.63 0.17 116.57 118.57 2wpd h LYS 35 Ca -0.41 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.40 2wpd h LYS 35 Cb 1.26 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.86 2wpd h LYS 35 CO 0.63 0.02 0.24 0.66 -3.45 0.00 0.00 179.45 177.55 2wpd h SER 36 N 0.03 0.40 -1.67 4.20 4.64 -1.97 -3.48 113.55 115.69 2wpd h SER 36 Ca 0.10 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2wpd h SER 36 Cb 0.14 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2wpd h SER 36 CO -0.19 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 2wpd n GLY 37 N -1.49 0.44 3.75 -0.77 0.00 0.05 -5.11 105.19 102.06 2wpd n GLY 37 Ca 0.03 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 2wpd n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wpd s ARG 38 N -1.67 4.12 0.16 1.61 3.52 -1.26 -2.10 118.95 123.34 2wpd s ARG 38 Ca 0.00 2.58 0.09 0.00 -0.13 0.00 0.00 55.73 58.27 2wpd s ARG 38 Cb 0.00 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 2wpd s ARG 38 CO 0.00 -0.64 -0.18 0.42 -0.81 0.00 0.00 175.30 174.08 2wpd s ILE 39 N 0.08 1.83 0.10 4.11 -1.09 -1.20 -4.87 121.20 120.16 2wpd s ILE 39 Ca 0.64 -1.91 0.05 0.00 -2.23 0.00 0.00 60.65 57.20 2wpd s ILE 39 Cb -0.48 -1.84 -0.03 0.00 -1.58 0.00 0.00 42.46 38.52 2wpd s ILE 39 CO 0.47 -0.30 -0.12 -0.83 -1.23 0.00 0.00 174.94 172.92 2wpd s GLY 40 N -2.65 0.92 0.02 6.18 0.00 -1.26 -2.88 107.32 107.65 2wpd s GLY 40 Ca 0.16 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2wpd s GLY 40 CO 0.07 -1.22 -0.03 0.14 0.00 0.00 0.00 173.10 172.05 2wpd s VAL 41 N -2.03 0.12 0.00 1.40 1.01 -0.87 -4.99 120.40 115.04 2wpd s VAL 41 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2wpd s VAL 41 Cb -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.07 2wpd s VAL 41 CO 0.02 -0.45 0.00 0.18 0.00 0.00 0.00 175.10 174.84 2wpd n LEU 42 N 1.72 0.00 0.00 3.92 4.77 -1.26 -2.31 117.00 123.84 2wpd n LEU 42 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2wpd n LEU 42 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2wpd n LEU 42 CO 0.21 0.00 0.33 0.00 -1.33 0.00 0.00 177.39 176.60 2wpd n ALA 43 N -3.00 -0.08 -2.62 -1.18 0.00 -1.25 -4.35 120.51 108.02 2wpd n ALA 43 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2wpd n ALA 43 Cb 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 2wpd n ALA 43 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2wpd s ASN 44 N -2.51 6.36 0.01 0.00 0.01 -1.26 -4.32 114.94 113.22 2wpd s ASN 44 Ca 0.00 0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.57 2wpd s ASN 44 Cb 0.00 -2.24 -0.01 0.00 0.41 0.00 0.00 41.25 39.41 2wpd s ASN 44 CO 0.00 -0.21 -0.02 -2.28 -1.51 0.00 0.00 177.10 173.08 2wpd s HIS 45 N 2.06 0.16 0.27 2.20 2.46 -1.26 -5.13 115.29 116.05 2wpd s HIS 45 Ca 0.18 -0.20 -0.30 0.00 0.47 0.00 0.00 55.06 55.22 2wpd s HIS 45 Cb -0.16 -0.11 -0.10 0.00 -0.13 0.00 0.00 32.58 32.08 2wpd s HIS 45 CO 0.09 -0.06 1.45 0.08 -2.47 0.00 0.00 174.74 173.83 2wpd s VAL 46 N -0.53 2.54 -0.41 0.89 1.01 -1.26 -4.86 120.40 117.78 2wpd s VAL 46 Ca -0.05 0.46 -0.28 0.00 0.00 0.00 0.00 61.98 62.11 2wpd s VAL 46 Cb -0.04 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.97 2wpd s VAL 46 CO -0.00 0.08 2.34 -0.81 0.00 0.00 0.00 175.10 176.71 2wpd n PRO 47 N 2.05 1.31 -4.84 2.72 -0.04 -1.26 -4.88 135.00 130.06 2wpd n PRO 47 Ca 0.06 0.22 -0.25 0.00 -0.04 0.00 0.00 63.50 63.48 2wpd n PRO 47 Cb 0.40 -3.15 -0.15 0.00 -0.04 0.00 0.00 33.50 30.56 2wpd n PRO 47 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2wpd s THR 48 N 10.12 1.47 -0.34 0.52 2.01 -1.25 -4.94 115.64 123.24 2wpd s THR 48 Ca 1.03 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 62.22 2wpd s THR 48 Cb -0.37 -1.23 0.10 0.00 0.01 0.00 0.00 72.50 71.00 2wpd s THR 48 CO 0.33 0.37 0.05 -0.69 -0.69 0.00 0.00 174.62 173.99 2wpd s VAL 49 N -0.50 2.20 0.15 3.82 1.01 -1.26 -2.12 120.40 123.71 2wpd s VAL 49 Ca 0.07 -2.28 0.10 0.00 0.00 0.00 0.00 61.98 59.87 2wpd s VAL 49 Cb -0.07 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2wpd s VAL 49 CO -0.00 -0.59 -0.23 -1.61 0.00 0.00 0.00 175.10 172.67 2wpd s GLU 50 N 0.95 1.36 -0.04 2.72 2.02 -0.77 -4.99 118.70 119.94 2wpd s GLU 50 Ca 0.10 -1.38 -0.27 0.00 0.02 0.00 0.00 54.97 53.44 2wpd s GLU 50 Cb -0.19 -1.65 -0.03 0.00 0.10 0.00 0.00 34.13 32.36 2wpd s GLU 50 CO -0.09 0.37 0.85 1.14 0.02 0.00 0.00 175.26 177.55 2wpd s GLN 51 N -2.40 4.48 0.02 1.61 -2.07 -1.26 -1.38 119.66 118.67 2wpd s GLN 51 Ca 0.15 1.16 -0.24 0.00 -1.82 0.00 0.00 55.36 54.61 2wpd s GLN 51 Cb -0.08 -3.47 -0.05 0.00 -1.09 0.00 0.00 33.01 28.32 2wpd s GLN 51 CO 0.07 -0.03 0.74 -0.51 -1.32 0.00 0.00 175.29 174.24 2wpd s LEU 52 N 1.04 4.42 0.17 2.60 1.43 0.11 -1.51 118.68 126.94 2wpd s LEU 52 Ca 0.45 1.37 0.05 0.00 -1.03 0.00 0.00 54.13 54.97 2wpd s LEU 52 Cb -0.19 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 2wpd s LEU 52 CO 0.22 -0.00 0.13 -0.76 0.23 0.00 0.00 176.35 176.17 2wpd s LEU 53 N 0.11 3.77 -0.86 1.79 1.43 -1.18 -2.30 118.68 121.44 2wpd s LEU 53 Ca 0.38 -0.15 -0.20 0.00 -1.03 0.00 0.00 54.13 53.13 2wpd s LEU 53 Cb -0.20 -2.38 -0.21 0.00 0.03 0.00 0.00 46.19 43.43 2wpd s LEU 53 CO 0.21 0.07 2.33 -2.65 0.23 0.00 0.00 176.35 176.54 2wpd n PRO 54 N -0.34 0.36 0.00 1.29 -0.02 -1.22 -4.67 135.00 130.40 2wpd n PRO 54 Ca -0.08 -0.47 0.00 0.00 -2.02 0.00 0.00 63.50 60.92 2wpd n PRO 54 Cb 0.55 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2wpd n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wpd n GLY 55 N 6.28 5.44 2.92 -1.23 0.00 -1.18 -4.89 105.19 112.54 2wpd n GLY 55 Ca 0.55 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 2wpd n GLY 55 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wpd s VAL 56 N 1.70 0.73 0.11 1.61 -7.23 -1.26 -1.90 120.40 114.15 2wpd s VAL 56 Ca 0.00 -0.21 0.05 0.00 -1.81 0.00 0.00 61.98 60.01 2wpd s VAL 56 Cb 0.00 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.17 2wpd s VAL 56 CO 0.00 0.28 0.04 -0.69 -0.31 0.00 0.00 175.10 174.41 2wpd s VAL 57 N 1.01 4.15 -0.12 1.32 1.01 -0.37 -4.25 120.40 123.16 2wpd s VAL 57 Ca -0.09 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 2wpd s VAL 57 Cb -0.14 -3.02 0.06 0.00 0.00 0.00 0.00 36.38 33.27 2wpd s VAL 57 CO -0.00 0.05 0.14 -0.70 0.00 0.00 0.00 175.10 174.59 2wpd s GLU 58 N -2.56 0.05 -0.19 2.72 2.12 -0.92 -1.39 118.70 118.54 2wpd s GLU 58 Ca 0.28 0.35 -0.22 0.00 0.36 0.00 0.00 54.97 55.74 2wpd s GLU 58 Cb -0.11 -0.77 -0.02 0.00 0.26 0.00 0.00 34.13 33.49 2wpd s GLU 58 CO 0.20 -0.44 0.68 0.08 -0.54 0.00 0.00 175.26 175.24 2wpd s VAL 59 N 2.25 4.99 0.01 3.70 1.01 -0.80 -2.38 120.40 129.18 2wpd s VAL 59 Ca 0.04 1.30 -0.05 0.00 0.00 0.00 0.00 61.98 63.27 2wpd s VAL 59 Cb -0.13 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2wpd s VAL 59 CO -0.07 0.10 0.23 -0.32 0.00 0.00 0.00 175.10 175.04 2wpd s MET 60 N 1.92 3.52 0.14 2.72 1.75 0.16 -2.74 119.30 126.77 2wpd s MET 60 Ca 0.31 -0.18 -0.00 0.00 -1.25 0.00 0.00 55.69 54.57 2wpd s MET 60 Cb -0.16 -3.08 -0.04 0.00 2.84 0.00 0.00 34.83 34.39 2wpd s MET 60 CO 0.11 0.65 0.04 -1.21 -0.65 0.00 0.00 175.02 173.97 2wpd s GLU 61 N -1.87 0.99 0.28 4.11 2.02 -1.26 -3.05 118.70 119.91 2wpd s GLU 61 Ca 0.28 -1.47 0.02 0.00 0.02 0.00 0.00 54.97 53.82 2wpd s GLU 61 Cb -0.13 0.10 0.66 0.00 0.10 0.00 0.00 34.13 34.86 2wpd s GLU 61 CO 0.17 -0.23 1.71 0.78 0.02 0.00 0.00 175.26 177.72 2wpd h GLY 62 N 2.81 1.46 -0.67 -1.39 0.00 -1.99 -3.40 103.07 99.89 2wpd h GLY 62 Ca -0.36 -0.18 -0.46 0.00 0.00 0.00 0.00 47.33 46.33 2wpd h GLY 62 CO 0.60 -0.20 0.38 -0.56 0.00 0.00 0.00 176.54 176.76 2wpd s SER 63 N -5.25 4.09 0.05 0.19 0.01 -1.26 -4.96 113.70 106.58 2wpd s SER 63 Ca -0.12 0.77 -0.38 0.00 1.31 0.00 0.00 55.95 57.54 2wpd s SER 63 Cb 0.24 -1.24 -0.18 0.00 0.21 0.00 0.00 66.02 65.05 2wpd s SER 63 CO 0.78 -2.16 1.18 -0.46 0.41 0.00 0.00 173.24 172.98 2wpd n ASN 64 N -3.48 0.76 -4.81 2.44 0.23 -1.26 -4.92 115.26 104.21 2wpd n ASN 64 Ca 0.08 1.14 -0.38 0.00 -0.53 0.00 0.00 54.58 54.89 2wpd n ASN 64 Cb 0.60 -1.06 -0.06 0.00 -2.08 0.00 0.00 39.78 37.19 2wpd n ASN 64 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2wpd s SER 65 N 0.19 6.94 0.27 0.53 1.04 -1.26 -4.69 113.70 116.73 2wpd s SER 65 Ca 0.87 1.12 -0.08 0.00 0.48 0.00 0.00 55.95 58.33 2wpd s SER 65 Cb -1.10 -2.31 -0.06 0.00 0.10 0.00 0.00 66.02 62.64 2wpd s SER 65 CO 0.52 0.28 0.58 -0.54 0.98 0.00 0.00 173.24 175.05 2wpd s LYS 66 N -0.97 3.74 -0.09 4.02 1.02 -1.11 -4.95 119.74 121.40 2wpd s LYS 66 Ca 0.27 0.21 -0.00 0.00 0.02 0.00 0.00 55.97 56.46 2wpd s LYS 66 Cb -0.18 -2.62 0.02 0.00 -0.52 0.00 0.00 37.83 34.54 2wpd s LYS 66 CO 0.16 0.24 -0.05 0.21 -0.92 0.00 0.00 175.35 175.00 2wpd s LYS 67 N -3.19 1.12 0.12 1.68 2.20 -1.26 -1.90 119.74 118.52 2wpd s LYS 67 Ca 0.47 -0.11 0.10 0.00 -0.36 0.00 0.00 55.97 56.06 2wpd s LYS 67 Cb -0.11 -1.27 -0.04 0.00 -1.51 0.00 0.00 37.83 34.90 2wpd s LYS 67 CO 0.25 -0.24 -0.23 -0.06 -0.36 0.00 0.00 175.35 174.72 2wpd s PHE 68 N 1.65 2.42 -0.02 4.03 0.40 -0.49 -3.83 117.98 122.15 2wpd s PHE 68 Ca 0.02 -0.32 -0.22 0.00 -0.60 0.00 0.00 56.93 55.81 2wpd s PHE 68 Cb -0.13 -1.30 -0.05 0.00 0.51 0.00 0.00 43.02 42.05 2wpd s PHE 68 CO -0.05 0.35 0.65 0.12 0.70 0.00 0.00 175.22 176.99 2wpd s PHE 69 N -1.09 3.65 0.05 0.36 2.19 0.60 -1.23 117.98 122.51 2wpd s PHE 69 Ca 0.16 1.24 0.03 0.00 0.33 0.00 0.00 56.93 58.69 2wpd s PHE 69 Cb -0.10 -2.70 -0.04 0.00 -1.31 0.00 0.00 43.02 38.87 2wpd s PHE 69 CO 0.08 0.25 0.00 -1.50 1.83 0.00 0.00 175.22 175.88 2wpd s ILE 70 N 0.16 4.08 -0.05 3.12 2.07 -0.80 -1.90 121.20 127.88 2wpd s ILE 70 Ca 0.34 -0.82 -0.22 0.00 -1.41 0.00 0.00 60.65 58.54 2wpd s ILE 70 Cb -0.18 -2.89 -0.31 0.00 0.13 0.00 0.00 42.46 39.20 2wpd s ILE 70 CO 0.18 0.23 0.89 0.77 -1.91 0.00 0.00 174.94 175.09 2wpd h SER 71 N 3.82 0.47 -3.32 4.50 4.64 -1.84 -3.12 113.55 118.70 2wpd h SER 71 Ca -0.48 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 59.89 2wpd h SER 71 Cb 1.17 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2wpd h SER 71 CO 0.59 1.40 0.00 0.61 -0.87 0.00 0.00 176.83 178.56 2wpd n GLY 72 N 1.67 3.64 0.00 -0.77 0.00 -1.26 -3.37 105.19 105.11 2wpd n GLY 72 Ca -0.14 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2wpd n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wpd n GLY 73 N -1.83 -0.54 3.27 -0.02 0.00 -0.97 -3.72 105.19 101.39 2wpd n GLY 73 Ca 0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 2wpd n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wpd s PHE 74 N -1.68 1.47 -0.04 1.61 0.08 -1.10 0.09 117.98 118.41 2wpd s PHE 74 Ca 0.00 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.46 2wpd s PHE 74 Cb 0.00 -0.74 0.03 0.00 -0.57 0.00 0.00 43.02 41.74 2wpd s PHE 74 CO 0.00 0.19 -0.01 0.00 -0.10 0.00 0.00 175.22 175.30 2wpd s ALA 75 N -2.58 0.47 -0.05 5.36 0.00 -0.48 -2.42 121.76 122.06 2wpd s ALA 75 Ca 0.14 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.18 2wpd s ALA 75 Cb -0.02 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.71 2wpd s ALA 75 CO 0.04 -0.12 -0.06 0.99 0.00 0.00 0.00 175.76 176.61 2wpd s THR 76 N 1.14 0.66 -0.45 0.00 2.01 -1.09 -1.84 115.64 116.07 2wpd s THR 76 Ca -0.08 -0.19 -0.14 0.00 0.31 0.00 0.00 61.69 61.59 2wpd s THR 76 Cb -0.14 -0.66 0.06 0.00 0.01 0.00 0.00 72.50 71.77 2wpd s THR 76 CO -0.02 0.25 0.34 -0.69 -0.69 0.00 0.00 174.62 173.82 2wpd s VAL 77 N 0.88 5.04 0.52 3.82 1.01 -0.90 -0.79 120.40 129.97 2wpd s VAL 77 Ca -0.12 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 2wpd s VAL 77 Cb -0.15 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 2wpd s VAL 77 CO 0.01 -0.50 1.26 -1.10 0.00 0.00 0.00 175.10 174.77 2wpd s GLN 78 N 1.61 3.37 0.35 2.72 -1.52 0.11 -3.86 119.66 122.43 2wpd s GLN 78 Ca 0.04 2.00 0.12 0.00 -1.95 0.00 0.00 55.36 55.57 2wpd s GLN 78 Cb -0.23 -2.28 0.93 0.00 -0.22 0.00 0.00 33.01 31.22 2wpd s GLN 78 CO 0.07 -0.93 1.76 -1.35 -0.25 0.00 0.00 175.29 174.58 2wpd h PRO 79 N 1.63 0.54 -0.91 2.91 0.11 -1.92 -0.04 132.00 134.33 2wpd h PRO 79 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2wpd h PRO 79 Cb 1.28 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2wpd h PRO 79 CO 0.58 0.36 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 2wpd n ASP 80 N -4.75 1.19 -2.71 -2.05 5.68 -1.26 -4.81 116.55 107.83 2wpd n ASP 80 Ca 0.25 -1.68 -0.10 0.00 -0.50 0.00 0.00 54.79 52.76 2wpd n ASP 80 Cb 0.74 -0.42 0.05 0.00 -1.14 0.00 0.00 41.12 40.35 2wpd n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2wpd n SER 81 N 0.18 -5.28 -3.44 -1.12 7.64 -0.04 -4.94 113.62 106.62 2wpd n SER 81 Ca 0.00 -0.47 -0.19 0.00 1.01 0.00 0.00 58.87 59.22 2wpd n SER 81 Cb 0.25 -3.79 -0.11 0.00 -1.01 0.00 0.00 64.21 59.55 2wpd n SER 81 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2wpd s GLN 82 N -3.91 0.27 0.08 1.43 -0.21 -1.13 -2.87 119.66 113.32 2wpd s GLN 82 Ca 0.30 -0.10 -0.24 0.00 0.02 0.00 0.00 55.36 55.33 2wpd s GLN 82 Cb -0.04 -0.87 -0.06 0.00 1.00 0.00 0.00 33.01 33.04 2wpd s GLN 82 CO 0.51 -0.93 0.75 -1.17 -2.12 0.00 0.00 175.29 172.34 2wpd s LEU 83 N 2.32 4.49 -0.21 2.90 0.20 -1.02 0.05 118.68 127.41 2wpd s LEU 83 Ca 0.09 1.48 0.01 0.00 0.69 0.00 0.00 54.13 56.40 2wpd s LEU 83 Cb -0.15 -3.21 0.04 0.00 -0.43 0.00 0.00 46.19 42.44 2wpd s LEU 83 CO -0.28 0.09 -0.11 0.00 -0.29 0.00 0.00 176.35 175.76 2wpd s VAL 85 N 1.34 5.00 -0.13 0.00 1.01 -0.98 -2.68 120.40 123.96 2wpd s VAL 85 Ca -0.02 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2wpd s VAL 85 Cb -0.17 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.90 2wpd s VAL 85 CO -0.08 0.35 -0.18 -0.89 0.00 0.00 0.00 175.10 174.30 2wpd s THR 86 N 1.16 1.76 0.00 3.92 2.01 -1.02 -2.69 115.64 120.78 2wpd s THR 86 Ca 0.06 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.27 2wpd s THR 86 Cb -0.14 -1.58 0.00 0.00 0.01 0.00 0.00 72.50 70.79 2wpd s THR 86 CO 0.05 0.49 0.00 0.00 -0.69 0.00 0.00 174.62 174.47 2wpd n ALA 87 N 4.20 0.00 -1.06 7.40 0.00 -1.23 -2.73 120.51 127.10 2wpd n ALA 87 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wpd n ALA 87 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2wpd n ALA 87 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wpd n ILE 88 N 0.00 0.00 -3.74 0.00 5.41 -1.24 -4.17 119.36 115.62 2wpd n ILE 88 Ca 0.00 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.55 2wpd n ILE 88 Cb 0.00 -0.88 -0.01 0.00 -0.71 0.00 0.00 39.64 38.03 2wpd n ILE 88 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2wpd s GLU 89 N 0.00 3.27 0.25 0.38 0.41 -1.26 -4.19 118.70 117.56 2wpd s GLU 89 Ca 0.00 -0.89 0.06 0.00 -0.41 0.00 0.00 54.97 53.73 2wpd s GLU 89 Cb 0.00 -2.85 -0.05 0.00 -1.78 0.00 0.00 34.13 29.45 2wpd s GLU 89 CO 0.00 0.26 -0.05 0.00 -0.49 0.00 0.00 175.26 174.97 2wpd s ALA 90 N -2.08 2.07 -0.10 5.21 0.00 -1.26 -3.42 121.76 122.18 2wpd s ALA 90 Ca 0.39 -1.80 -0.05 0.00 0.00 0.00 0.00 51.96 50.51 2wpd s ALA 90 Cb -0.09 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.32 2wpd s ALA 90 CO 0.30 -0.12 0.23 0.12 0.00 0.00 0.00 175.76 176.29 2wpd s PHE 91 N -3.16 -0.31 0.13 0.00 5.36 -0.80 -4.96 117.98 114.23 2wpd s PHE 91 Ca 0.27 0.77 -0.02 0.00 -0.96 0.00 0.00 56.93 56.99 2wpd s PHE 91 Cb 0.04 -0.02 0.03 0.00 -0.34 0.00 0.00 43.02 42.73 2wpd s PHE 91 CO 0.09 -0.25 0.08 -2.30 -1.46 0.00 0.00 175.22 171.38 2wpd n PRO 92 N 4.57 -2.07 0.00 10.12 -0.02 -1.26 -0.29 135.00 146.04 2wpd n PRO 92 Ca -0.20 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.15 2wpd n PRO 92 Cb 0.52 -0.16 0.00 0.00 -0.02 0.00 0.00 33.50 33.83 2wpd n PRO 92 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wpd n LEU 93 N 0.00 0.00 0.00 2.45 4.77 -1.25 -4.32 117.00 118.65 2wpd n LEU 93 Ca 0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2wpd n LEU 93 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2wpd n LEU 93 CO 0.03 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.47 2wpd n GLU 94 N -0.29 4.00 0.00 3.23 1.02 -1.26 -4.84 120.64 122.50 2wpd n GLU 94 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 2wpd n GLU 94 Cb 0.00 -0.39 0.16 0.00 -0.02 0.00 0.00 31.44 31.19 2wpd n GLU 94 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2wpd n SER 95 N -0.07 0.00 -0.13 1.62 3.41 -1.26 -2.51 113.62 114.68 2wpd n SER 95 Ca 0.00 0.13 -0.28 0.00 -0.26 0.00 0.00 58.87 58.46 2wpd n SER 95 Cb 0.00 -0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 63.61 2wpd n SER 95 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2wpd n PHE 96 N -1.23 0.17 -2.91 7.33 7.35 -1.26 -4.99 117.46 121.92 2wpd n PHE 96 Ca 0.03 0.07 -0.32 0.00 -0.76 0.00 0.00 57.45 56.48 2wpd n PHE 96 Cb 0.04 -1.02 -0.05 0.00 0.35 0.00 0.00 39.48 38.81 2wpd n PHE 96 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2wpd s SER 97 N -7.34 6.67 -0.03 -2.13 1.04 -1.04 -5.08 113.70 105.78 2wpd s SER 97 Ca -0.37 1.29 0.04 0.00 0.48 0.00 0.00 55.95 57.39 2wpd s SER 97 Cb 0.13 -2.38 -0.00 0.00 0.10 0.00 0.00 66.02 63.86 2wpd s SER 97 CO 0.52 -0.34 -0.15 -1.10 0.98 0.00 0.00 173.24 173.14 2wpd s GLN 98 N -3.47 1.48 0.18 4.02 -0.21 -1.26 -4.94 119.66 115.46 2wpd s GLN 98 Ca 0.54 -0.54 -0.13 0.00 0.02 0.00 0.00 55.36 55.25 2wpd s GLN 98 Cb -0.10 -1.34 0.10 0.00 1.00 0.00 0.00 33.01 32.68 2wpd s GLN 98 CO 0.24 0.25 1.84 0.93 -2.12 0.00 0.00 175.29 176.43 2wpd h GLU 99 N 6.13 0.72 -0.72 2.91 5.08 -1.98 -2.54 114.58 124.17 2wpd h GLU 99 Ca -0.34 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 2wpd h GLU 99 Cb 1.17 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 2wpd h GLU 99 CO 0.48 0.47 0.38 -0.91 -1.00 0.00 0.00 179.01 178.43 2wpd h ASN 100 N 0.74 0.90 1.22 1.42 2.35 -2.01 -2.05 115.58 118.15 2wpd h ASN 100 Ca 0.22 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2wpd h ASN 100 Cb -0.04 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.10 2wpd h ASN 100 CO -0.07 0.74 0.00 0.40 -1.65 0.00 0.00 177.43 176.85 2wpd h ILE 101 N 1.01 0.00 0.04 2.81 1.08 -1.89 -3.21 117.51 117.35 2wpd h ILE 101 Ca 0.25 -0.56 -0.24 0.00 -0.39 0.00 0.00 64.86 63.93 2wpd h ILE 101 Cb 0.05 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 2wpd h ILE 101 CO -0.04 0.00 -1.28 0.11 -0.69 0.00 0.00 178.15 176.25 2wpd h LYS 102 N 0.00 0.07 -0.85 2.37 1.57 -1.06 -3.38 116.57 115.30 2wpd h LYS 102 Ca 0.00 -0.13 0.11 0.00 -1.87 0.00 0.00 60.65 58.76 2wpd h LYS 102 Cb 0.61 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.91 2wpd h LYS 102 CO 0.00 1.06 0.55 -0.91 -0.57 0.00 0.00 179.45 179.58 2wpd h ASN 103 N -0.74 0.70 0.02 0.86 2.35 -1.47 0.13 115.58 117.42 2wpd h ASN 103 Ca -0.32 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.48 2wpd h ASN 103 Cb 1.45 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 39.65 2wpd h ASN 103 CO -0.11 0.39 -0.41 -0.07 -1.65 0.00 0.00 177.43 175.59 2wpd h LEU 104 N 0.76 -1.23 -0.06 1.61 3.38 -1.72 -0.74 115.31 117.31 2wpd h LEU 104 Ca 0.41 0.15 -0.25 0.00 0.09 0.00 0.00 57.88 58.27 2wpd h LEU 104 Cb 0.53 0.48 0.02 0.00 0.09 0.00 0.00 40.66 41.77 2wpd h LEU 104 CO -0.17 -0.45 -0.96 -0.07 0.09 0.00 0.00 178.44 176.88 2wpd h LEU 105 N -0.57 0.91 -0.32 1.67 3.38 -1.67 -3.15 115.31 115.55 2wpd h LEU 105 Ca 0.04 -0.69 0.07 0.00 0.09 0.00 0.00 57.88 57.40 2wpd h LEU 105 Cb 0.65 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 2wpd h LEU 105 CO -0.30 1.49 -0.25 0.00 0.09 0.00 0.00 178.44 179.47 2wpd h ALA 106 N 0.47 -0.08 -0.80 1.53 0.00 -0.52 0.31 119.26 120.16 2wpd h ALA 106 Ca -0.10 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2wpd h ALA 106 Cb 1.60 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 19.90 2wpd h ALA 106 CO 0.19 -0.66 0.44 0.93 0.00 0.00 0.00 179.25 180.15 2wpd h GLU 107 N -0.22 1.12 0.00 0.00 5.08 -1.25 -1.74 114.58 117.56 2wpd h GLU 107 Ca 0.16 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2wpd h GLU 107 Cb 0.48 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2wpd h GLU 107 CO -0.45 0.82 0.00 0.00 -1.00 0.00 0.00 179.01 178.38 2wpd h ALA 108 N 1.36 1.00 -0.15 3.43 0.00 -0.97 -2.56 119.26 121.37 2wpd h ALA 108 Ca 0.28 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.99 2wpd h ALA 108 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2wpd h ALA 108 CO -0.05 0.00 -0.73 0.87 0.00 0.00 0.00 179.25 179.34 2wpd h LYS 109 N 0.00 0.71 0.00 0.00 1.79 -0.16 -2.79 116.57 116.11 2wpd h LYS 109 Ca 0.00 -0.56 -0.03 0.00 -2.18 0.00 0.00 60.65 57.88 2wpd h LYS 109 Cb 0.23 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2wpd h LYS 109 CO 0.00 1.17 -0.16 0.87 -1.08 0.00 0.00 179.45 180.26 2wpd h LYS 110 N 0.49 0.00 0.00 3.15 1.57 -1.49 -0.15 116.57 120.14 2wpd h LYS 110 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2wpd h LYS 110 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2wpd h LYS 110 CO 0.15 0.16 -0.07 0.09 -0.57 0.00 0.00 179.45 179.20 2wpd n ASN 111 N -3.92 0.41 0.09 0.86 3.02 -1.11 -3.35 115.26 111.27 2wpd n ASN 111 Ca -0.02 0.46 -0.05 0.00 -0.03 0.00 0.00 54.58 54.95 2wpd n ASN 111 Cb 0.25 -0.54 0.01 0.00 -0.61 0.00 0.00 39.78 38.89 2wpd n ASN 111 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2wpd h VAL 112 N 0.00 1.59 -0.50 2.41 2.07 -0.76 -1.86 116.25 119.21 2wpd h VAL 112 Ca 0.00 -2.83 -0.03 0.00 0.82 0.00 0.00 66.70 64.66 2wpd h VAL 112 Cb 0.61 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 2wpd h VAL 112 CO 0.00 0.81 0.20 0.77 0.02 0.00 0.00 177.57 179.37 2wpd h SER 113 N 0.01 0.64 -0.31 0.57 4.64 -1.55 -2.12 113.55 115.43 2wpd h SER 113 Ca -0.01 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.15 2wpd h SER 113 Cb 1.47 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 2wpd h SER 113 CO 0.11 0.58 -0.12 0.28 -0.87 0.00 0.00 176.83 176.81 2wpd h SER 114 N 0.70 0.73 -3.53 4.97 0.02 -1.57 -3.44 113.55 111.43 2wpd h SER 114 Ca 0.17 -0.22 -0.42 0.00 -0.84 0.00 0.00 61.79 60.49 2wpd h SER 114 Cb 0.14 -0.20 0.19 0.00 0.14 0.00 0.00 62.40 62.67 2wpd h SER 114 CO -0.02 0.87 0.12 -0.44 -1.14 0.00 0.00 176.83 176.22 2wpd s SER 115 N -6.71 1.09 0.31 3.07 0.01 -0.73 -4.95 113.70 105.80 2wpd s SER 115 Ca -0.09 0.78 -0.29 0.00 1.31 0.00 0.00 55.95 57.66 2wpd s SER 115 Cb 0.14 -1.13 -0.13 0.00 0.21 0.00 0.00 66.02 65.11 2wpd s SER 115 CO 0.82 -4.03 1.29 0.47 0.41 0.00 0.00 173.24 172.19 2wpd n ASP 116 N -4.72 2.62 -0.23 2.44 8.00 -1.26 -4.65 116.55 118.75 2wpd n ASP 116 Ca 0.11 1.19 0.12 0.00 0.71 0.00 0.00 54.79 56.93 2wpd n ASP 116 Cb 0.59 -1.45 0.42 0.00 -0.02 0.00 0.00 41.12 40.65 2wpd n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wpd h ALA 117 N 2.90 1.91 -1.01 2.24 0.00 -1.86 -0.13 119.26 123.31 2wpd h ALA 117 Ca -0.45 0.01 0.25 0.00 0.00 0.00 0.00 54.91 54.71 2wpd h ALA 117 Cb 1.29 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 2wpd h ALA 117 CO 0.66 -0.13 0.65 0.00 0.00 0.00 0.00 179.25 180.43 2wpd h ARG 118 N 0.61 0.41 0.00 0.00 2.47 -1.96 0.51 114.38 116.42 2wpd h ARG 118 Ca 0.41 -0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 59.00 2wpd h ARG 118 Cb 0.71 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.92 2wpd h ARG 118 CO -0.17 0.27 -1.88 0.39 0.56 0.00 0.00 179.97 179.15 2wpd n GLU 119 N -4.61 0.65 0.24 0.04 1.02 -0.18 -4.16 120.64 113.65 2wpd n GLU 119 Ca 0.24 -0.06 0.13 0.00 -0.02 0.00 0.00 57.16 57.45 2wpd n GLU 119 Cb 0.81 -1.60 0.45 0.00 -0.02 0.00 0.00 31.44 31.09 2wpd n GLU 119 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wpd h ALA 120 N 1.70 0.98 -0.89 0.62 0.00 0.03 -3.15 119.26 118.55 2wpd h ALA 120 Ca -0.14 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2wpd h ALA 120 Cb 1.36 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 2wpd h ALA 120 CO 0.01 0.10 0.59 0.00 0.00 0.00 0.00 179.25 179.95 2wpd h ALA 121 N 1.92 1.15 0.00 0.00 0.00 -1.11 -1.39 119.26 119.83 2wpd h ALA 121 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2wpd h ALA 121 Cb 0.75 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wpd h ALA 121 CO 0.01 0.49 -0.11 0.93 0.00 0.00 0.00 179.25 180.57 2wpd h GLU 122 N 1.18 0.00 -0.43 0.00 5.08 -1.79 -3.26 114.58 115.35 2wpd h GLU 122 Ca 0.34 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.61 2wpd h GLU 122 Cb -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2wpd h GLU 122 CO -0.09 0.11 -0.07 0.00 -1.00 0.00 0.00 179.01 177.96 2wpd h ALA 123 N 1.89 0.59 -0.74 3.43 0.00 -1.30 -2.53 119.26 120.59 2wpd h ALA 123 Ca -0.00 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.67 2wpd h ALA 123 Cb 0.91 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 2wpd h ALA 123 CO 0.01 0.44 0.49 0.00 0.00 0.00 0.00 179.25 180.20 2wpd h ALA 124 N 0.87 1.73 0.00 0.00 0.00 -1.54 -0.26 119.26 120.07 2wpd h ALA 124 Ca 0.11 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2wpd h ALA 124 Cb 0.60 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2wpd h ALA 124 CO 0.04 0.14 -0.46 0.82 0.00 0.00 0.00 179.25 179.79 2wpd h ILE 125 N 0.74 1.01 0.07 0.00 2.04 -1.61 -3.19 117.51 116.57 2wpd h ILE 125 Ca 0.33 -1.80 -0.24 0.00 1.00 0.00 0.00 64.86 64.15 2wpd h ILE 125 Cb 0.32 2.07 0.02 0.00 -0.74 0.00 0.00 36.82 38.50 2wpd h ILE 125 CO -0.11 0.45 -0.98 1.56 0.00 0.00 0.00 178.15 179.07 2wpd h GLN 126 N 0.00 0.53 -0.55 2.37 4.20 -0.68 -3.26 115.11 117.73 2wpd h GLN 126 Ca -0.00 -0.67 0.09 0.00 0.06 0.00 0.00 58.65 58.12 2wpd h GLN 126 Cb 1.03 0.21 -0.10 0.00 0.30 0.00 0.00 27.48 28.92 2wpd h GLN 126 CO 0.06 1.28 -0.41 0.28 -0.67 0.00 0.00 178.83 179.37 2wpd h VAL 127 N 0.10 0.11 0.15 -0.54 2.07 -1.22 0.22 116.25 117.14 2wpd h VAL 127 Ca -0.14 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2wpd h VAL 127 Cb 1.68 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 2wpd h VAL 127 CO 0.19 0.00 -0.43 -0.33 0.02 0.00 0.00 177.57 177.02 2wpd h GLU 128 N -0.23 -0.66 -1.01 1.57 5.08 -1.66 -0.59 114.58 117.09 2wpd h GLU 128 Ca 0.18 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.69 2wpd h GLU 128 Cb 0.56 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.88 2wpd h GLU 128 CO -0.66 -0.44 0.64 0.28 -1.00 0.00 0.00 179.01 177.82 2wpd h VAL 129 N -0.69 0.97 -0.28 3.13 2.07 -1.43 -2.32 116.25 117.71 2wpd h VAL 129 Ca 0.01 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 2wpd h VAL 129 Cb 0.70 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2wpd h VAL 129 CO -0.23 0.19 -0.09 -0.07 0.02 0.00 0.00 177.57 177.39 2wpd h LEU 130 N 1.05 0.56 -0.99 2.57 3.38 -0.43 -2.88 115.31 118.58 2wpd h LEU 130 Ca 0.48 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2wpd h LEU 130 Cb 0.39 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 2wpd h LEU 130 CO -0.24 0.81 0.64 -0.33 0.09 0.00 0.00 178.44 179.41 2wpd h GLU 131 N 0.30 1.12 0.00 1.13 5.08 -0.59 -0.75 114.58 120.87 2wpd h GLU 131 Ca 0.07 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2wpd h GLU 131 Cb 0.58 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2wpd h GLU 131 CO 0.03 0.74 -0.20 -0.91 -1.00 0.00 0.00 179.01 177.67 2wpd h ASN 132 N 1.16 0.00 0.12 1.42 2.35 -1.37 -2.26 115.58 117.00 2wpd h ASN 132 Ca 0.43 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.11 2wpd h ASN 132 Cb 0.16 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2wpd h ASN 132 CO -0.17 0.20 -0.21 -0.07 -1.65 0.00 0.00 177.43 175.53 2wpd h LEU 133 N 0.00 0.17 -0.47 1.61 3.38 -0.91 -2.87 115.31 116.21 2wpd h LEU 133 Ca -0.00 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 2wpd h LEU 133 Cb 0.46 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2wpd h LEU 133 CO 0.03 0.40 -0.50 1.56 0.09 0.00 0.00 178.44 180.01 2wpd h GLN 134 N 0.16 0.69 0.00 1.13 4.20 -1.32 -2.93 115.11 117.05 2wpd h GLN 134 Ca 0.03 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.33 2wpd h GLN 134 Cb 0.48 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2wpd h GLN 134 CO 0.03 1.03 0.00 0.66 -0.67 0.00 0.00 178.83 179.88 2wpd h SER 135 N 0.54 0.00 0.63 1.46 4.64 -1.52 -2.47 113.55 116.83 2wpd h SER 135 Ca 0.02 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 2wpd h SER 135 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 2wpd h SER 135 CO 0.10 0.00 -0.32 0.58 -0.87 0.00 0.00 176.83 176.32 2wpd h VAL 136 N 0.00 0.90 -0.94 0.95 2.07 -1.36 -2.84 116.25 115.04 2wpd h VAL 136 Ca 0.00 -1.25 0.08 0.00 0.82 0.00 0.00 66.70 66.35 2wpd h VAL 136 Cb 0.51 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 2wpd h VAL 136 CO 0.00 0.31 0.61 -0.07 0.02 0.00 0.00 177.57 178.44 2wpd h LEU 137 N 0.00 0.91 0.00 2.57 3.38 -1.52 -3.49 115.31 117.16 2wpd h LEU 137 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2wpd h LEU 137 Cb 0.72 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2wpd h LEU 137 CO 0.04 0.56 0.00 1.17 0.09 0.00 0.00 178.44 180.30