#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a13 s PRO 15 N 0.00 2.37 0.10 0.52 0.04 -1.26 -4.70 135.00 132.07 2a13 s PRO 15 Ca 0.00 1.60 -0.31 0.00 0.04 0.00 0.00 61.00 62.33 2a13 s PRO 15 Cb 0.00 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 2a13 s PRO 15 CO 0.00 -1.62 1.50 0.08 0.04 0.00 0.00 177.00 177.00 2a13 s VAL 16 N -2.16 3.11 0.47 -0.36 1.01 -1.26 -4.26 120.40 116.96 2a13 s VAL 16 Ca 0.71 0.72 -0.24 0.00 0.00 0.00 0.00 61.98 63.17 2a13 s VAL 16 Cb -0.25 -3.46 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 2a13 s VAL 16 CO 0.44 0.03 1.35 -2.28 0.00 0.00 0.00 175.10 174.64 2a13 s HIS 17 N 1.64 2.54 0.57 5.22 2.46 -1.26 -4.80 115.29 121.65 2a13 s HIS 17 Ca 0.68 1.36 0.27 0.00 0.47 0.00 0.00 55.06 57.84 2a13 s HIS 17 Cb -0.39 -3.76 1.52 0.00 -0.13 0.00 0.00 32.58 29.82 2a13 s HIS 17 CO 0.30 -2.56 2.03 -1.35 -2.47 0.00 0.00 174.74 170.69 2a13 h PRO 18 N 2.11 0.00 0.00 2.88 0.11 -1.94 -0.46 132.00 134.70 2a13 h PRO 18 Ca -0.50 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 2a13 h PRO 18 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2a13 h PRO 18 CO 0.60 0.00 -0.43 0.74 -0.21 0.00 0.00 178.00 178.70 2a13 h PHE 19 N 0.00 0.00 0.00 0.65 -1.00 -1.91 -3.29 116.94 111.40 2a13 h PHE 19 Ca 0.16 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.68 2a13 h PHE 19 Cb 0.77 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.29 2a13 h PHE 19 CO 0.00 0.43 -1.49 0.28 -1.61 0.00 0.00 178.31 175.92 2a13 h VAL 20 N 0.00 1.09 -0.92 -0.55 2.07 -1.42 -3.40 116.25 113.13 2a13 h VAL 20 Ca -0.00 -2.89 0.23 0.00 0.82 0.00 0.00 66.70 64.85 2a13 h VAL 20 Cb 1.12 2.53 -0.12 0.00 -1.52 0.00 0.00 31.29 33.30 2a13 h VAL 20 CO 0.06 0.62 0.43 0.00 0.02 0.00 0.00 177.57 178.70 2a13 h ALA 21 N 1.01 1.50 0.00 1.67 0.00 -1.39 0.84 119.26 122.90 2a13 h ALA 21 Ca -0.20 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2a13 h ALA 21 Cb 1.93 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.84 2a13 h ALA 21 CO 0.09 -0.33 -0.00 -1.35 0.00 0.00 0.00 179.25 177.66 2a13 h PRO 22 N 0.43 0.00 -0.40 0.00 0.11 -1.78 -1.75 132.00 128.62 2a13 h PRO 22 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 2a13 h PRO 22 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2a13 h PRO 22 CO -0.52 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.55 2a13 n LEU 23 N -3.10 4.48 0.31 2.35 4.77 0.27 -4.68 117.00 121.39 2a13 n LEU 23 Ca -0.02 -2.88 0.19 0.00 -0.03 0.00 0.00 56.01 53.27 2a13 n LEU 23 Cb 0.12 -0.57 1.00 0.00 -2.33 0.00 0.00 43.42 41.64 2a13 n LEU 23 CO 0.22 0.68 1.11 0.77 -1.33 0.00 0.00 177.39 178.84 2a13 h SER 24 N 2.69 0.00 -0.00 -1.43 4.64 -1.13 -1.43 113.55 116.89 2a13 h SER 24 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a13 h SER 24 Cb 1.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.66 2a13 h SER 24 CO 0.29 0.02 0.04 0.10 -0.87 0.00 0.00 176.83 176.42 2a13 h TYR 25 N 0.00 0.00 0.00 4.77 -0.00 -1.83 -1.74 116.97 118.17 2a13 h TYR 25 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.60 2a13 h TYR 25 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.84 2a13 h TYR 25 CO 0.00 0.00 -0.64 -0.07 -0.00 0.00 0.00 178.16 177.45 2a13 h LEU 26 N 0.00 0.00 -9.55 0.10 3.38 -1.65 -3.47 115.31 104.13 2a13 h LEU 26 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2a13 h LEU 26 Cb 0.09 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.88 2a13 h LEU 26 CO -0.00 0.64 0.93 -0.76 0.09 0.00 0.00 178.44 179.33 2a13 s LEU 27 N -6.73 4.37 0.00 1.67 1.43 -0.66 -4.46 118.68 114.30 2a13 s LEU 27 Ca 0.02 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 2a13 s LEU 27 Cb 0.09 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2a13 s LEU 27 CO 0.76 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 177.10 2a13 n GLY 28 N 3.85 0.73 3.41 -3.19 0.00 -0.70 -4.97 105.19 104.32 2a13 n GLY 28 Ca 0.15 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 2a13 n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a13 s THR 29 N -1.38 2.53 0.00 2.61 2.01 -1.26 -1.35 115.64 118.81 2a13 s THR 29 Ca 0.00 -1.26 0.03 0.00 0.31 0.00 0.00 61.69 60.77 2a13 s THR 29 Cb 0.00 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 2a13 s THR 29 CO 0.00 0.36 -0.11 0.26 -0.69 0.00 0.00 174.62 174.44 2a13 s TRP 30 N -0.87 0.96 -0.04 4.92 0.52 0.41 -0.67 118.94 124.17 2a13 s TRP 30 Ca 0.13 -0.22 -0.02 0.00 0.02 0.00 0.00 56.10 56.01 2a13 s TRP 30 Cb -0.10 -0.61 0.02 0.00 -1.15 0.00 0.00 33.47 31.63 2a13 s TRP 30 CO 0.04 -0.01 0.09 0.50 0.02 0.00 0.00 176.95 177.59 2a13 s ARG 31 N -0.47 0.07 0.00 4.98 3.52 -0.22 -1.29 118.95 125.54 2a13 s ARG 31 Ca 0.03 0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 2a13 s ARG 31 Cb -0.05 -0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.29 2a13 s ARG 31 CO -0.00 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.83 2a13 n GLY 32 N 3.47 2.37 3.29 8.12 0.00 -0.25 -1.06 105.19 121.13 2a13 n GLY 32 Ca -0.18 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 2a13 n GLY 32 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2a13 s GLN 33 N 3.77 1.02 0.35 1.61 -2.07 -1.04 -1.42 119.66 121.87 2a13 s GLN 33 Ca 0.00 -0.96 0.01 0.00 -1.82 0.00 0.00 55.36 52.59 2a13 s GLN 33 Cb 0.00 0.39 -0.00 0.00 -1.09 0.00 0.00 33.01 32.31 2a13 s GLN 33 CO 0.00 -0.37 0.43 0.41 -1.32 0.00 0.00 175.29 174.44 2a13 n GLY 34 N -0.16 2.35 2.92 2.60 0.00 0.07 -2.09 105.19 110.87 2a13 n GLY 34 Ca -0.13 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 2a13 n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a13 s GLU 35 N -2.99 0.19 0.11 1.61 2.02 -0.09 -1.81 118.70 117.74 2a13 s GLU 35 Ca 0.33 -0.15 0.08 0.00 0.02 0.00 0.00 54.97 55.25 2a13 s GLU 35 Cb -0.00 -0.13 -0.04 0.00 0.10 0.00 0.00 34.13 34.06 2a13 s GLU 35 CO 0.24 0.03 -0.21 0.20 0.02 0.00 0.00 175.26 175.54 2a13 s GLY 36 N -0.26 1.25 0.01 -1.39 0.00 -0.02 -1.63 107.32 105.29 2a13 s GLY 36 Ca -0.01 -1.26 -0.28 0.00 0.00 0.00 0.00 44.72 43.17 2a13 s GLY 36 CO -0.00 -1.27 0.75 -1.83 0.00 0.00 0.00 173.10 170.75 2a13 s GLU 37 N -1.96 1.01 -0.23 2.90 -1.05 -0.18 -1.24 118.70 117.94 2a13 s GLU 37 Ca 0.07 -0.12 -0.29 0.00 -0.15 0.00 0.00 54.97 54.48 2a13 s GLU 37 Cb -0.10 0.47 0.15 0.00 -0.44 0.00 0.00 34.13 34.21 2a13 s GLU 37 CO 0.04 -0.39 1.15 -0.47 0.95 0.00 0.00 175.26 176.54 2a13 s TYR 38 N -2.44 -0.26 0.34 4.83 5.04 -1.26 -4.18 117.35 119.42 2a13 s TYR 38 Ca -0.02 0.48 0.16 0.00 -2.44 0.00 0.00 57.07 55.26 2a13 s TYR 38 Cb -0.01 0.46 1.17 0.00 0.35 0.00 0.00 41.96 43.93 2a13 s TYR 38 CO -0.03 -0.21 1.49 -2.30 -1.34 0.00 0.00 175.55 173.16 2a13 n PRO 39 N 0.94 -0.06 0.06 4.97 -0.02 -1.26 -1.77 135.00 137.86 2a13 n PRO 39 Ca -0.08 1.32 -0.01 0.00 -2.02 0.00 0.00 63.50 62.72 2a13 n PRO 39 Cb 0.58 -2.32 -0.07 0.00 -0.02 0.00 0.00 33.50 31.67 2a13 n PRO 39 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2a13 h THR 40 N 0.00 0.79 -2.61 3.45 1.35 -2.04 -3.47 112.91 110.38 2a13 h THR 40 Ca 0.76 -2.32 -0.57 0.00 -0.55 0.00 0.00 66.41 63.73 2a13 h THR 40 Cb 1.94 2.29 -0.08 0.00 -1.73 0.00 0.00 68.15 70.57 2a13 h THR 40 CO -0.76 0.45 -0.60 0.27 -0.25 0.00 0.00 175.52 174.63 2a13 s ILE 41 N -2.87 4.05 0.46 6.82 -4.36 -0.73 -5.12 121.20 119.46 2a13 s ILE 41 Ca -0.01 -1.38 -0.20 0.00 -0.26 0.00 0.00 60.65 58.80 2a13 s ILE 41 Cb 0.08 -3.09 -0.10 0.00 1.25 0.00 0.00 42.46 40.61 2a13 s ILE 41 CO 0.80 -0.19 0.99 -2.16 0.24 0.00 0.00 174.94 174.62 2a13 s PRO 42 N -3.25 4.01 0.56 0.37 0.04 -1.26 -4.20 135.00 131.27 2a13 s PRO 42 Ca 0.30 1.22 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 2a13 s PRO 42 Cb -0.09 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 2a13 s PRO 42 CO 0.21 -0.23 1.15 -1.54 0.04 0.00 0.00 177.00 176.63 2a13 s SER 43 N -2.14 5.57 0.11 6.66 1.04 -1.26 -4.82 113.70 118.86 2a13 s SER 43 Ca 0.64 2.22 -0.11 0.00 0.48 0.00 0.00 55.95 59.18 2a13 s SER 43 Cb -0.12 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.42 2a13 s SER 43 CO 0.17 -1.33 0.28 0.72 0.98 0.00 0.00 173.24 174.06 2a13 s PHE 44 N -1.75 0.07 0.23 5.02 -0.71 -0.38 -5.00 117.98 115.47 2a13 s PHE 44 Ca 0.74 -0.45 0.11 0.00 -1.04 0.00 0.00 56.93 56.29 2a13 s PHE 44 Cb -0.25 0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.56 2a13 s PHE 44 CO 0.29 -0.63 -0.20 1.03 -1.34 0.00 0.00 175.22 174.37 2a13 s ARG 45 N -3.86 1.67 0.04 1.99 0.52 -1.26 -0.84 118.95 117.21 2a13 s ARG 45 Ca 0.06 -1.59 -0.18 0.00 -0.52 0.00 0.00 55.73 53.49 2a13 s ARG 45 Cb 0.04 -1.86 0.04 0.00 0.52 0.00 0.00 34.95 33.68 2a13 s ARG 45 CO -0.10 0.37 0.41 1.52 0.02 0.00 0.00 175.30 177.53 2a13 s TYR 46 N -2.04 -0.27 0.31 -0.53 1.13 -0.75 -4.67 117.35 110.53 2a13 s TYR 46 Ca 0.25 0.24 -0.04 0.00 -1.41 0.00 0.00 57.07 56.11 2a13 s TYR 46 Cb -0.07 0.22 -0.05 0.00 -1.10 0.00 0.00 41.96 40.96 2a13 s TYR 46 CO 0.13 -0.57 0.57 0.20 -2.51 0.00 0.00 175.55 173.37 2a13 s GLY 47 N -1.98 1.74 -0.07 5.49 0.00 -0.15 -0.75 107.32 111.60 2a13 s GLY 47 Ca -0.05 -0.62 -0.08 0.00 0.00 0.00 0.00 44.72 43.97 2a13 s GLY 47 CO -0.02 -0.51 0.22 1.85 0.00 0.00 0.00 173.10 174.63 2a13 s GLU 48 N -3.77 0.32 -0.02 2.90 2.12 -0.51 -1.76 118.70 117.99 2a13 s GLU 48 Ca 0.43 0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.96 2a13 s GLU 48 Cb -0.10 0.15 -0.00 0.00 0.26 0.00 0.00 34.13 34.43 2a13 s GLU 48 CO 0.32 -0.05 -0.10 -2.00 -0.54 0.00 0.00 175.26 172.88 2a13 s GLU 49 N -0.21 1.01 -0.03 4.30 2.12 -0.59 -1.09 118.70 124.22 2a13 s GLU 49 Ca -0.03 -0.35 0.03 0.00 0.36 0.00 0.00 54.97 54.98 2a13 s GLU 49 Cb -0.03 -0.95 0.00 0.00 0.26 0.00 0.00 34.13 33.42 2a13 s GLU 49 CO 0.01 0.15 -0.11 0.42 -0.54 0.00 0.00 175.26 175.20 2a13 s ILE 50 N 0.07 0.90 -0.09 -3.70 1.01 -0.41 -1.57 121.20 117.41 2a13 s ILE 50 Ca -0.01 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.24 2a13 s ILE 50 Cb -0.08 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 2a13 s ILE 50 CO 0.00 0.27 -0.23 -0.60 0.00 0.00 0.00 174.94 174.39 2a13 s ARG 51 N 0.12 2.94 -0.13 2.79 3.52 -0.11 -0.45 118.95 127.63 2a13 s ARG 51 Ca -0.02 -0.86 -0.01 0.00 -0.13 0.00 0.00 55.73 54.72 2a13 s ARG 51 Cb -0.09 -2.31 -0.02 0.00 -1.56 0.00 0.00 34.95 30.98 2a13 s ARG 51 CO 0.01 0.25 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.58 2a13 s PHE 52 N 0.17 2.85 0.25 5.12 0.08 -0.45 -1.58 117.98 124.41 2a13 s PHE 52 Ca -0.13 -0.53 -0.03 0.00 0.12 0.00 0.00 56.93 56.35 2a13 s PHE 52 Cb -0.16 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.42 2a13 s PHE 52 CO 0.07 -0.14 0.30 -1.54 -0.10 0.00 0.00 175.22 173.81 2a13 s SER 53 N 0.25 0.40 0.23 1.36 1.04 -0.60 -1.71 113.70 114.67 2a13 s SER 53 Ca -0.08 -1.33 -0.14 0.00 0.48 0.00 0.00 55.95 54.88 2a13 s SER 53 Cb -0.15 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2a13 s SER 53 CO 0.05 -1.03 0.49 -1.38 0.98 0.00 0.00 173.24 172.36 2a13 s HIS 54 N -3.85 0.22 -0.07 5.02 -3.43 -1.26 -0.40 115.29 111.52 2a13 s HIS 54 Ca 0.33 -0.59 0.18 0.00 -0.80 0.00 0.00 55.06 54.18 2a13 s HIS 54 Cb 0.03 0.26 0.36 0.00 -1.43 0.00 0.00 32.58 31.80 2a13 s HIS 54 CO 0.15 -0.98 1.16 -1.13 -2.00 0.00 0.00 174.74 171.94 2a13 n SER 55 N -0.37 1.18 0.00 7.38 3.41 -1.26 -4.97 113.62 118.99 2a13 n SER 55 Ca -0.04 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.93 2a13 n SER 55 Cb 0.62 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2a13 n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a13 n GLY 56 N -0.18 0.81 3.98 5.00 0.00 -1.26 -4.89 105.19 108.65 2a13 n GLY 56 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 2a13 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a13 s LYS 57 N -0.40 2.57 0.00 1.61 -0.14 -1.26 -4.34 119.74 117.78 2a13 s LYS 57 Ca 0.00 -0.82 -0.04 0.00 -1.36 0.00 0.00 55.97 53.75 2a13 s LYS 57 Cb 0.00 -2.51 -0.20 0.00 -1.68 0.00 0.00 37.83 33.44 2a13 s LYS 57 CO 0.00 -0.68 3.03 -0.35 -0.76 0.00 0.00 175.35 176.59 2a13 n PRO 58 N -2.30 1.63 -3.77 -1.68 -0.04 -1.26 -4.51 135.00 123.07 2a13 n PRO 58 Ca 0.08 -0.75 -0.13 0.00 -0.04 0.00 0.00 63.50 62.67 2a13 n PRO 58 Cb 0.60 -1.81 -0.11 0.00 -0.04 0.00 0.00 33.50 32.14 2a13 n PRO 58 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2a13 s VAL 59 N 1.08 -0.00 -0.18 0.52 1.01 -1.26 -4.37 120.40 117.20 2a13 s VAL 59 Ca 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 2a13 s VAL 59 Cb 0.24 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 2a13 s VAL 59 CO 0.00 0.01 -0.09 -0.63 0.00 0.00 0.00 175.10 174.39 2a13 s ILE 60 N 0.28 3.20 0.22 2.22 1.01 0.02 -4.56 121.20 123.58 2a13 s ILE 60 Ca -0.01 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.77 2a13 s ILE 60 Cb -0.03 -2.40 -0.08 0.00 0.01 0.00 0.00 42.46 39.95 2a13 s ILE 60 CO -0.01 0.48 1.03 0.00 0.00 0.00 0.00 174.94 176.44 2a13 s ALA 61 N 0.95 3.36 -0.10 9.38 0.00 0.46 -0.68 121.76 135.13 2a13 s ALA 61 Ca -0.01 0.75 0.03 0.00 0.00 0.00 0.00 51.96 52.73 2a13 s ALA 61 Cb -0.15 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.69 2a13 s ALA 61 CO -0.00 -0.04 -0.19 -0.47 0.00 0.00 0.00 175.76 175.05 2a13 s TYR 62 N -0.77 2.23 -0.00 0.00 5.04 -0.19 -1.56 117.35 122.09 2a13 s TYR 62 Ca 0.45 -0.97 0.01 0.00 -2.44 0.00 0.00 57.07 54.12 2a13 s TYR 62 Cb -0.28 -1.54 -0.00 0.00 0.35 0.00 0.00 41.96 40.49 2a13 s TYR 62 CO 0.35 -0.44 -0.04 0.95 -1.34 0.00 0.00 175.55 175.04 2a13 s THR 63 N 0.64 0.27 -0.01 4.34 -4.23 -0.61 -0.84 115.64 115.20 2a13 s THR 63 Ca -0.13 -0.19 -0.07 0.00 -1.18 0.00 0.00 61.69 60.12 2a13 s THR 63 Cb -0.16 -0.24 0.00 0.00 1.34 0.00 0.00 72.50 73.44 2a13 s THR 63 CO 0.04 0.05 0.13 -1.58 -0.54 0.00 0.00 174.62 172.72 2a13 s GLN 64 N -0.16 0.42 0.06 3.99 -0.44 -0.06 -0.93 119.66 122.54 2a13 s GLN 64 Ca 0.01 -0.31 -0.06 0.00 -2.50 0.00 0.00 55.36 52.50 2a13 s GLN 64 Cb -0.02 0.18 -0.01 0.00 -1.64 0.00 0.00 33.01 31.52 2a13 s GLN 64 CO -0.00 -0.10 0.12 -1.59 0.50 0.00 0.00 175.29 174.22 2a13 s LYS 65 N -1.14 0.70 0.17 1.67 -2.85 -0.61 -1.82 119.74 115.86 2a13 s LYS 65 Ca -0.12 -0.91 0.06 0.00 -1.00 0.00 0.00 55.97 53.99 2a13 s LYS 65 Cb -0.07 0.27 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 2a13 s LYS 65 CO 0.01 -0.19 -0.12 0.95 0.10 0.00 0.00 175.35 176.10 2a13 s THR 66 N -3.33 1.38 0.18 3.79 -4.23 -0.45 -1.54 115.64 111.44 2a13 s THR 66 Ca 0.01 -2.10 -0.13 0.00 -1.18 0.00 0.00 61.69 58.29 2a13 s THR 66 Cb 0.03 -1.90 0.01 0.00 1.34 0.00 0.00 72.50 71.98 2a13 s THR 66 CO -0.08 -0.68 0.41 -1.66 -0.54 0.00 0.00 174.62 172.07 2a13 s TRP 67 N -3.14 0.14 0.12 3.99 -2.14 -0.72 -3.47 118.94 113.72 2a13 s TRP 67 Ca 0.18 -0.50 -0.30 0.00 2.66 0.00 0.00 56.10 58.14 2a13 s TRP 67 Cb 0.01 0.18 -0.07 0.00 -3.10 0.00 0.00 33.47 30.49 2a13 s TRP 67 CO 0.03 -0.83 1.20 0.15 -2.66 0.00 0.00 176.95 174.84 2a13 s LYS 68 N -3.92 4.46 0.19 3.25 1.02 -0.06 -0.98 119.74 123.70 2a13 s LYS 68 Ca 0.13 1.82 -0.12 0.00 0.02 0.00 0.00 55.97 57.82 2a13 s LYS 68 Cb 0.01 -3.30 0.15 0.00 -0.52 0.00 0.00 37.83 34.17 2a13 s LYS 68 CO -0.01 -0.18 1.80 -0.07 -0.92 0.00 0.00 175.35 175.97 2a13 h LEU 69 N 6.12 0.44 -0.20 3.17 3.38 -1.91 0.34 115.31 126.66 2a13 h LEU 69 Ca -0.43 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.38 2a13 h LEU 69 Cb 1.21 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.91 2a13 h LEU 69 CO 0.78 0.30 -0.60 1.05 0.09 0.00 0.00 178.44 180.07 2a13 h GLU 70 N 0.57 0.75 0.00 1.13 9.09 -1.99 -3.36 114.58 120.77 2a13 h GLU 70 Ca 0.24 -0.55 -0.07 0.00 0.05 0.00 0.00 59.36 59.03 2a13 h GLU 70 Cb 0.12 0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.30 2a13 h GLU 70 CO -0.15 1.17 -1.83 -1.13 0.05 0.00 0.00 179.01 177.12 2a13 n SER 71 N -4.06 1.18 -0.05 3.06 3.41 -1.22 -4.99 113.62 110.96 2a13 n SER 71 Ca -0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.54 2a13 n SER 71 Cb 0.65 1.56 -0.00 0.00 -0.26 0.00 0.00 64.21 66.16 2a13 n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a13 n GLY 72 N 1.67 0.45 3.71 5.00 0.00 0.11 -5.00 105.19 111.12 2a13 n GLY 72 Ca -0.08 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2a13 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a13 s ALA 73 N -1.86 3.78 1.10 4.61 0.00 -1.24 -4.65 121.76 123.49 2a13 s ALA 73 Ca 0.00 1.38 -0.13 0.00 0.00 0.00 0.00 51.96 53.21 2a13 s ALA 73 Cb 0.00 -3.67 0.22 0.00 0.00 0.00 0.00 23.12 19.67 2a13 s ALA 73 CO 0.00 -0.94 0.87 -2.30 0.00 0.00 0.00 175.76 173.40 2a13 n PRO 74 N 4.58 -1.77 -1.87 0.00 -0.02 -1.26 -0.88 135.00 133.78 2a13 n PRO 74 Ca 0.15 -0.48 -0.29 0.00 -2.02 0.00 0.00 63.50 60.86 2a13 n PRO 74 Cb 0.38 -2.13 0.15 0.00 -0.02 0.00 0.00 33.50 31.88 2a13 n PRO 74 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2a13 s HIS 76 N -2.44 2.14 0.05 6.00 3.76 -1.23 -4.80 115.29 118.78 2a13 s HIS 76 Ca 0.66 0.52 -0.16 0.00 -0.15 0.00 0.00 55.06 55.93 2a13 s HIS 76 Cb -0.23 -3.82 0.03 0.00 1.11 0.00 0.00 32.58 29.67 2a13 s HIS 76 CO 0.64 -2.34 0.35 0.00 -0.85 0.00 0.00 174.74 172.54 2a13 s ALA 77 N -3.71 -0.83 0.14 -1.40 0.00 -1.26 -1.34 121.76 113.37 2a13 s ALA 77 Ca 0.69 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 2a13 s ALA 77 Cb -0.07 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.40 2a13 s ALA 77 CO 0.52 -0.44 0.33 -1.83 0.00 0.00 0.00 175.76 174.34 2a13 s GLU 78 N -2.56 1.09 0.12 0.00 -1.05 -0.76 -0.80 118.70 114.74 2a13 s GLU 78 Ca -0.05 -0.93 -0.18 0.00 -0.15 0.00 0.00 54.97 53.66 2a13 s GLU 78 Cb -0.01 0.42 0.05 0.00 -0.44 0.00 0.00 34.13 34.15 2a13 s GLU 78 CO -0.03 -0.41 0.46 -1.54 0.95 0.00 0.00 175.26 174.69 2a13 s SER 79 N -2.88 -0.34 0.00 0.83 1.04 -0.57 -0.88 113.70 110.91 2a13 s SER 79 Ca 0.08 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2a13 s SER 79 Cb 0.03 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2a13 s SER 79 CO -0.07 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2a13 n GLY 80 N -0.18 -0.65 3.00 7.32 0.00 -0.02 -0.71 105.19 113.95 2a13 n GLY 80 Ca -0.17 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2a13 n GLY 80 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a13 s TYR 81 N -3.64 -0.21 -0.18 1.61 2.02 -0.28 -1.02 117.35 115.65 2a13 s TYR 81 Ca 0.00 0.53 -0.06 0.00 -0.37 0.00 0.00 57.07 57.17 2a13 s TYR 81 Cb 0.00 0.01 -0.04 0.00 -0.40 0.00 0.00 41.96 41.53 2a13 s TYR 81 CO 0.00 -0.15 0.03 -0.06 -1.57 0.00 0.00 175.55 173.81 2a13 s PHE 82 N 0.71 3.17 -0.56 2.71 0.40 0.14 -1.37 117.98 123.19 2a13 s PHE 82 Ca -0.05 -0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.25 2a13 s PHE 82 Cb -0.07 -2.05 0.16 0.00 0.51 0.00 0.00 43.02 41.57 2a13 s PHE 82 CO -0.04 0.07 0.37 1.03 0.70 0.00 0.00 175.22 177.35 2a13 s ARG 83 N 0.43 1.81 0.44 0.44 0.52 0.48 -0.80 118.95 122.27 2a13 s ARG 83 Ca 0.01 -2.69 -0.18 0.00 -0.52 0.00 0.00 55.73 52.35 2a13 s ARG 83 Cb -0.13 -2.76 -0.09 0.00 0.52 0.00 0.00 34.95 32.49 2a13 s ARG 83 CO 0.01 -1.25 0.92 -1.25 0.02 0.00 0.00 175.30 173.75 2a13 s PRO 84 N -0.57 4.09 0.10 3.54 0.04 -1.26 -2.31 135.00 138.63 2a13 s PRO 84 Ca 0.24 0.97 0.05 0.00 0.04 0.00 0.00 61.00 62.30 2a13 s PRO 84 Cb -0.11 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 2a13 s PRO 84 CO -0.11 -0.08 -0.13 1.03 0.04 0.00 0.00 177.00 177.75 2a13 s ARG 85 N -3.47 0.91 0.53 4.56 0.52 -0.37 -4.76 118.95 116.87 2a13 s ARG 85 Ca 0.59 -1.12 0.36 0.00 -0.52 0.00 0.00 55.73 55.04 2a13 s ARG 85 Cb -0.10 -0.78 1.86 0.00 0.52 0.00 0.00 34.95 36.45 2a13 s ARG 85 CO 0.20 0.15 2.08 -1.00 0.02 0.00 0.00 175.30 176.76 2a13 h PRO 86 N 3.80 0.00 0.00 3.54 0.13 -1.88 -0.64 132.00 136.95 2a13 h PRO 86 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2a13 h PRO 86 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2a13 h PRO 86 CO 0.47 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.84 2a13 n ASP 87 N -2.80 0.00 0.00 1.44 5.68 -1.26 -4.88 116.55 114.73 2a13 n ASP 87 Ca -0.02 -0.71 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 2a13 n ASP 87 Cb 0.10 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2a13 n ASP 87 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a13 n GLY 88 N 0.48 0.88 3.86 6.12 0.00 -0.25 -5.04 105.19 111.25 2a13 n GLY 88 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2a13 n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a13 s SER 89 N -2.97 6.14 -0.17 1.61 1.04 -1.24 -0.87 113.70 117.24 2a13 s SER 89 Ca 0.00 1.45 -0.21 0.00 0.48 0.00 0.00 55.95 57.67 2a13 s SER 89 Cb 0.00 -2.47 0.05 0.00 0.10 0.00 0.00 66.02 63.70 2a13 s SER 89 CO 0.00 -0.93 0.56 -0.51 0.98 0.00 0.00 173.24 173.34 2a13 s ILE 90 N -3.15 0.01 0.07 -1.02 2.07 -0.60 -1.23 121.20 117.34 2a13 s ILE 90 Ca 0.55 -0.05 0.09 0.00 -1.41 0.00 0.00 60.65 59.84 2a13 s ILE 90 Cb -0.11 -0.80 -0.03 0.00 0.13 0.00 0.00 42.46 41.65 2a13 s ILE 90 CO 0.53 -0.03 -0.25 -1.83 -1.91 0.00 0.00 174.94 171.46 2a13 s GLU 91 N -0.06 1.56 -0.03 3.50 -1.05 -0.98 -1.54 118.70 120.10 2a13 s GLU 91 Ca -0.03 -1.13 0.02 0.00 -0.15 0.00 0.00 54.97 53.68 2a13 s GLU 91 Cb -0.04 -1.81 0.01 0.00 -0.44 0.00 0.00 34.13 31.86 2a13 s GLU 91 CO 0.02 0.45 -0.07 0.08 0.95 0.00 0.00 175.26 176.70 2a13 s VAL 92 N -0.89 0.64 -0.07 1.83 1.01 0.08 -0.39 120.40 122.61 2a13 s VAL 92 Ca 0.11 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2a13 s VAL 92 Cb -0.10 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 2a13 s VAL 92 CO 0.03 0.23 -0.22 0.68 0.00 0.00 0.00 175.10 175.82 2a13 s VAL 93 N 0.54 2.34 -0.02 2.92 -7.23 -0.47 -0.53 120.40 117.95 2a13 s VAL 93 Ca -0.08 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.14 2a13 s VAL 93 Cb -0.11 -1.88 0.01 0.00 0.56 0.00 0.00 36.38 34.95 2a13 s VAL 93 CO 0.01 0.57 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.69 2a13 s ILE 94 N -0.18 0.43 -0.08 -0.62 1.01 -0.79 -1.13 121.20 119.83 2a13 s ILE 94 Ca -0.02 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.47 2a13 s ILE 94 Cb -0.14 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 2a13 s ILE 94 CO 0.04 0.15 -0.11 0.00 0.00 0.00 0.00 174.94 175.02 2a13 s ALA 95 N 0.28 2.79 0.08 9.38 0.00 0.11 -0.94 121.76 133.46 2a13 s ALA 95 Ca -0.03 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.08 2a13 s ALA 95 Cb -0.07 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 2a13 s ALA 95 CO -0.00 0.46 -0.09 -0.65 0.00 0.00 0.00 175.76 175.48 2a13 s GLN 96 N -0.40 2.25 0.61 0.00 -0.21 -0.05 -1.50 119.66 120.36 2a13 s GLN 96 Ca 0.05 -0.94 0.33 0.00 0.02 0.00 0.00 55.36 54.82 2a13 s GLN 96 Cb -0.12 -2.36 1.93 0.00 1.00 0.00 0.00 33.01 33.46 2a13 s GLN 96 CO 0.02 0.53 2.24 0.66 -2.12 0.00 0.00 175.29 176.63 2a13 h SER 97 N 3.84 0.00 0.62 5.90 4.64 -1.29 -0.64 113.55 126.62 2a13 h SER 97 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2a13 h SER 97 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2a13 h SER 97 CO 0.53 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.84 2a13 n THR 98 N -3.63 0.46 -0.07 2.95 -2.24 -1.26 -4.90 114.28 105.58 2a13 n THR 98 Ca -0.02 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2a13 n THR 98 Cb 0.13 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 2a13 n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a13 n GLY 99 N 0.66 0.96 3.87 3.38 0.00 -0.25 -5.11 105.19 108.70 2a13 n GLY 99 Ca 0.07 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2a13 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a13 s LEU 100 N 0.00 4.06 0.17 0.99 1.02 -1.24 -4.71 118.68 118.96 2a13 s LEU 100 Ca 0.00 -0.01 0.08 0.00 0.02 0.00 0.00 54.13 54.23 2a13 s LEU 100 Cb 0.00 -2.64 -0.04 0.00 0.02 0.00 0.00 46.19 43.53 2a13 s LEU 100 CO 0.00 0.04 -0.17 0.68 0.02 0.00 0.00 176.35 176.92 2a13 s VAL 101 N -1.79 1.78 -0.00 -1.59 -7.23 -0.86 -0.87 120.40 109.83 2a13 s VAL 101 Ca 0.33 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 2a13 s VAL 101 Cb -0.10 -1.85 -0.00 0.00 0.56 0.00 0.00 36.38 34.98 2a13 s VAL 101 CO 0.26 -0.37 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.04 2a13 s GLU 102 N -2.92 0.32 -0.25 4.82 2.02 -0.12 -0.78 118.70 121.79 2a13 s GLU 102 Ca 0.16 -0.13 -0.04 0.00 0.02 0.00 0.00 54.97 54.98 2a13 s GLU 102 Cb -0.05 -0.31 0.00 0.00 0.10 0.00 0.00 34.13 33.87 2a13 s GLU 102 CO 0.06 0.07 0.00 0.08 0.02 0.00 0.00 175.26 175.50 2a13 s VAL 103 N -0.03 3.50 -0.09 2.63 1.01 -0.55 -1.89 120.40 124.98 2a13 s VAL 103 Ca 0.01 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 2a13 s VAL 103 Cb -0.02 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 2a13 s VAL 103 CO -0.00 0.25 -0.07 -1.10 0.00 0.00 0.00 175.10 174.18 2a13 s GLN 104 N 1.46 2.98 0.04 2.72 -1.52 0.31 -0.28 119.66 125.36 2a13 s GLN 104 Ca 0.03 -0.56 0.03 0.00 -1.95 0.00 0.00 55.36 52.92 2a13 s GLN 104 Cb -0.16 -2.65 -0.02 0.00 -0.22 0.00 0.00 33.01 29.96 2a13 s GLN 104 CO -0.01 0.54 -0.09 0.15 -0.25 0.00 0.00 175.29 175.63 2a13 s LYS 105 N -0.48 0.60 0.00 2.91 1.02 -0.51 -0.74 119.74 122.54 2a13 s LYS 105 Ca 0.07 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.40 2a13 s LYS 105 Cb -0.12 -0.48 0.00 0.00 -0.52 0.00 0.00 37.83 36.71 2a13 s LYS 105 CO 0.02 0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 2a13 n GLY 106 N 1.81 -0.90 3.05 -3.33 0.00 -0.59 -1.25 105.19 103.98 2a13 n GLY 106 Ca -0.20 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 2a13 n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a13 s THR 107 N -3.93 0.18 0.17 2.61 -4.23 -0.61 -1.56 115.64 108.27 2a13 s THR 107 Ca 0.00 -1.48 0.10 0.00 -1.18 0.00 0.00 61.69 59.14 2a13 s THR 107 Cb 0.00 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 2a13 s THR 107 CO 0.00 -0.81 -0.23 -0.72 -0.54 0.00 0.00 174.62 172.32 2a13 s TYR 108 N -3.01 2.15 -0.16 3.99 -0.85 -0.05 -0.84 117.35 118.58 2a13 s TYR 108 Ca -0.01 -0.39 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 2a13 s TYR 108 Cb 0.01 -1.09 0.03 0.00 0.38 0.00 0.00 41.96 41.29 2a13 s TYR 108 CO -0.07 0.41 -0.11 1.21 -1.52 0.00 0.00 175.55 175.48 2a13 s ASN 109 N -2.50 2.80 0.07 -0.18 3.84 -0.35 -4.80 114.94 113.82 2a13 s ASN 109 Ca 0.17 -0.58 -0.22 0.00 0.21 0.00 0.00 52.86 52.44 2a13 s ASN 109 Cb -0.08 -1.10 -0.13 0.00 -0.55 0.00 0.00 41.25 39.40 2a13 s ASN 109 CO 0.08 -0.11 1.56 0.58 -2.79 0.00 0.00 177.10 176.42 2a13 h VAL 110 N 6.21 1.19 -0.04 -5.21 2.07 -1.93 -0.56 116.25 117.98 2a13 h VAL 110 Ca -0.32 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 2a13 h VAL 110 Cb 1.12 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 2a13 h VAL 110 CO 0.48 0.17 -0.24 0.44 0.02 0.00 0.00 177.57 178.44 2a13 h ASP 111 N -0.01 0.06 0.30 0.57 3.32 -1.98 -2.38 116.42 116.31 2a13 h ASP 111 Ca 0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2a13 h ASP 111 Cb 0.24 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2a13 h ASP 111 CO -0.00 0.30 -0.77 -0.62 -1.72 0.00 0.00 179.24 176.43 2a13 n GLU 112 N -4.23 0.05 -3.88 3.56 1.02 -1.19 -4.98 120.64 110.98 2a13 n GLU 112 Ca -0.02 -0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.87 2a13 n GLU 112 Cb 0.31 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 2a13 n GLU 112 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2a13 n GLN 113 N -1.57 -3.44 -4.34 3.49 6.02 -0.24 -4.54 117.38 112.76 2a13 n GLN 113 Ca 0.04 0.45 -0.20 0.00 -0.01 0.00 0.00 57.00 57.29 2a13 n GLN 113 Cb 0.35 -4.61 -0.10 0.00 1.02 0.00 0.00 30.24 26.89 2a13 n GLN 113 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2a13 s SER 114 N -4.30 2.62 -0.03 1.08 1.04 -1.04 -1.26 113.70 111.81 2a13 s SER 114 Ca 0.04 -0.96 -0.00 0.00 0.48 0.00 0.00 55.95 55.50 2a13 s SER 114 Cb -0.01 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 65.99 2a13 s SER 114 CO 0.87 -0.12 0.03 -0.63 0.98 0.00 0.00 173.24 174.37 2a13 s ILE 115 N -2.62 0.00 -0.12 -1.02 1.01 -0.42 -1.22 121.20 116.81 2a13 s ILE 115 Ca 0.20 0.23 0.01 0.00 0.00 0.00 0.00 60.65 61.09 2a13 s ILE 115 Cb -0.03 -0.16 0.02 0.00 0.01 0.00 0.00 42.46 42.30 2a13 s ILE 115 CO 0.07 0.13 -0.14 -0.54 0.00 0.00 0.00 174.94 174.46 2a13 s LYS 116 N 1.32 2.15 0.03 2.79 1.02 -0.02 -0.76 119.74 126.26 2a13 s LYS 116 Ca -0.06 -0.52 0.04 0.00 0.02 0.00 0.00 55.97 55.45 2a13 s LYS 116 Cb -0.13 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.26 2a13 s LYS 116 CO -0.03 -0.14 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.63 2a13 s LEU 117 N 1.22 2.15 0.03 3.17 1.43 -0.16 -1.57 118.68 124.94 2a13 s LEU 117 Ca -0.02 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2a13 s LEU 117 Cb -0.14 -0.54 -0.02 0.00 0.03 0.00 0.00 46.19 45.52 2a13 s LEU 117 CO -0.05 0.03 -0.08 -0.54 0.23 0.00 0.00 176.35 175.94 2a13 s LYS 118 N -0.99 0.56 0.14 1.70 1.02 -0.38 -1.67 119.74 120.13 2a13 s LYS 118 Ca 0.01 -0.56 -0.31 0.00 0.02 0.00 0.00 55.97 55.14 2a13 s LYS 118 Cb -0.07 -0.45 -0.08 0.00 -0.52 0.00 0.00 37.83 36.71 2a13 s LYS 118 CO 0.01 0.10 1.29 -1.54 -0.92 0.00 0.00 175.35 174.30 2a13 s SER 119 N -0.99 6.94 0.12 2.83 1.04 -0.19 -1.42 113.70 122.03 2a13 s SER 119 Ca -0.04 2.27 0.06 0.00 0.48 0.00 0.00 55.95 58.73 2a13 s SER 119 Cb -0.07 -2.60 -0.20 0.00 0.10 0.00 0.00 66.02 63.26 2a13 s SER 119 CO 0.00 -0.53 1.28 0.44 0.98 0.00 0.00 173.24 175.41 2a13 h ASP 120 N 6.10 0.03 -3.70 7.02 5.19 -0.99 -3.46 116.42 126.61 2a13 h ASP 120 Ca -0.43 -0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 55.89 2a13 h ASP 120 Cb 1.21 -0.01 -0.22 0.00 0.18 0.00 0.00 39.33 40.49 2a13 h ASP 120 CO 0.81 1.02 -0.02 -0.22 -3.12 0.00 0.00 179.24 177.70 2a13 s LEU 121 N -6.77 -0.44 -0.15 1.55 0.20 -1.18 -5.00 118.68 106.89 2a13 s LEU 121 Ca 0.01 1.26 0.00 0.00 0.69 0.00 0.00 54.13 56.09 2a13 s LEU 121 Cb 0.10 2.09 0.02 0.00 -0.43 0.00 0.00 46.19 47.97 2a13 s LEU 121 CO 0.82 -0.22 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.85 2a13 s VAL 122 N 0.69 1.53 -0.03 1.68 1.01 -1.26 -1.48 120.40 122.55 2a13 s VAL 122 Ca -0.03 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2a13 s VAL 122 Cb -0.05 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 2a13 s VAL 122 CO -0.05 0.42 -0.02 -0.83 0.00 0.00 0.00 175.10 174.63 2a13 s GLY 123 N 1.50 1.83 -1.25 4.51 0.00 0.04 -4.59 107.32 109.36 2a13 s GLY 123 Ca 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2a13 s GLY 123 CO -0.10 -0.76 0.00 -2.01 0.00 0.00 0.00 173.10 170.23 2a13 n ASN 124 N 1.68 -4.33 -4.84 1.64 5.15 -1.26 -2.02 115.26 111.28 2a13 n ASN 124 Ca -0.16 0.11 -0.37 0.00 -0.60 0.00 0.00 54.58 53.56 2a13 n ASN 124 Cb 0.53 -3.33 -0.06 0.00 -0.53 0.00 0.00 39.78 36.39 2a13 n ASN 124 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2a13 s ALA 125 N -2.61 3.75 0.10 5.20 0.00 -1.26 -4.67 121.76 122.28 2a13 s ALA 125 Ca 0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 2a13 s ALA 125 Cb 0.00 -2.23 -0.16 0.00 0.00 0.00 0.00 23.12 20.72 2a13 s ALA 125 CO 0.00 0.48 1.24 0.66 0.00 0.00 0.00 175.76 178.14 2a13 h SER 126 N 5.08 0.66 0.00 0.00 4.64 -1.99 -3.43 113.55 118.51 2a13 h SER 126 Ca -0.51 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.26 2a13 h SER 126 Cb 1.22 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2a13 h SER 126 CO 0.62 1.36 -0.52 0.29 -0.87 0.00 0.00 176.83 177.71 2a13 n LYS 127 N -3.76 1.36 -2.14 4.77 5.02 -1.26 -5.07 118.16 117.09 2a13 n LYS 127 Ca -0.09 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 2a13 n LYS 127 Cb 0.88 -0.76 -0.03 0.00 -0.02 0.00 0.00 35.03 35.10 2a13 n LYS 127 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2a13 s VAL 128 N -1.52 3.04 -0.14 -0.18 1.01 -1.26 -4.17 120.40 117.17 2a13 s VAL 128 Ca 0.00 0.83 -0.12 0.00 0.00 0.00 0.00 61.98 62.69 2a13 s VAL 128 Cb 0.00 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 2a13 s VAL 128 CO 0.00 0.11 -0.25 0.29 0.00 0.00 0.00 175.10 175.25 2a13 n LYS 129 N 2.85 0.39 -4.22 2.72 4.76 -0.25 -4.81 118.16 119.59 2a13 n LYS 129 Ca 0.08 0.16 -0.20 0.00 -2.87 0.00 0.00 58.31 55.48 2a13 n LYS 129 Cb 0.42 -1.18 -0.12 0.00 -1.84 0.00 0.00 35.03 32.31 2a13 n LYS 129 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2a13 s GLU 130 N -2.54 0.96 -0.03 1.97 8.01 -1.24 -4.50 118.70 121.33 2a13 s GLU 130 Ca -0.23 -1.09 0.03 0.00 0.01 0.00 0.00 54.97 53.68 2a13 s GLU 130 Cb 0.06 -1.01 0.00 0.00 -4.31 0.00 0.00 34.13 28.87 2a13 s GLU 130 CO 0.32 0.22 -0.10 0.42 0.01 0.00 0.00 175.26 176.13 2a13 s ILE 131 N -1.47 0.89 0.04 -1.63 1.01 -1.26 -1.32 121.20 117.45 2a13 s ILE 131 Ca 0.03 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.35 2a13 s ILE 131 Cb -0.09 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.56 2a13 s ILE 131 CO 0.03 0.28 -0.18 -0.44 0.00 0.00 0.00 174.94 174.63 2a13 s SER 132 N 0.27 3.79 -0.06 3.58 0.01 -0.12 -1.02 113.70 120.14 2a13 s SER 132 Ca -0.05 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.80 2a13 s SER 132 Cb -0.10 -0.61 0.02 0.00 0.21 0.00 0.00 66.02 65.54 2a13 s SER 132 CO 0.01 0.26 -0.06 -0.13 0.41 0.00 0.00 173.24 173.73 2a13 s ARG 133 N -1.41 1.12 -0.08 12.44 0.52 -0.67 -1.33 118.95 129.53 2a13 s ARG 133 Ca 0.14 -0.18 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 2a13 s ARG 133 Cb -0.10 -1.11 0.02 0.00 0.52 0.00 0.00 34.95 34.27 2a13 s ARG 133 CO 0.05 -0.11 -0.10 -1.21 0.02 0.00 0.00 175.30 173.95 2a13 s GLU 134 N 1.11 1.63 0.06 3.54 2.02 -0.46 -0.99 118.70 125.62 2a13 s GLU 134 Ca -0.07 -0.35 0.06 0.00 0.02 0.00 0.00 54.97 54.62 2a13 s GLU 134 Cb -0.14 -1.48 -0.04 0.00 0.10 0.00 0.00 34.13 32.57 2a13 s GLU 134 CO -0.01 -0.09 -0.09 -0.06 0.02 0.00 0.00 175.26 175.03 2a13 s PHE 135 N 1.08 2.78 -0.15 1.61 0.40 0.06 -1.23 117.98 122.53 2a13 s PHE 135 Ca -0.07 -0.12 -0.10 0.00 -0.60 0.00 0.00 56.93 56.04 2a13 s PHE 135 Cb -0.14 -1.50 0.05 0.00 0.51 0.00 0.00 43.02 41.93 2a13 s PHE 135 CO -0.01 0.39 0.37 -2.00 0.70 0.00 0.00 175.22 174.67 2a13 s GLU 136 N -1.86 0.38 -0.22 0.44 2.12 -0.23 -1.30 118.70 118.03 2a13 s GLU 136 Ca 0.19 0.63 -0.26 0.00 0.36 0.00 0.00 54.97 55.89 2a13 s GLU 136 Cb -0.11 0.06 -0.00 0.00 0.26 0.00 0.00 34.13 34.34 2a13 s GLU 136 CO 0.11 -0.11 0.90 -1.17 -0.54 0.00 0.00 175.26 174.45 2a13 s LEU 137 N 0.85 4.11 -0.20 2.70 2.96 -0.39 -1.12 118.68 127.59 2a13 s LEU 137 Ca -0.05 1.18 0.00 0.00 -0.22 0.00 0.00 54.13 55.04 2a13 s LEU 137 Cb -0.06 -3.32 0.05 0.00 0.50 0.00 0.00 46.19 43.36 2a13 s LEU 137 CO -0.06 -0.54 -0.07 0.68 -1.32 0.00 0.00 176.35 175.03 2a13 s VAL 138 N 2.81 1.44 -1.65 1.68 -7.23 0.37 -4.71 120.40 113.10 2a13 s VAL 138 Ca 0.39 -0.97 -0.14 0.00 -1.81 0.00 0.00 61.98 59.45 2a13 s VAL 138 Cb -0.15 -1.61 0.12 0.00 0.56 0.00 0.00 36.38 35.29 2a13 s VAL 138 CO 0.08 0.06 0.64 -0.67 -0.31 0.00 0.00 175.10 174.90 2a13 n ASP 139 N 4.74 -2.25 0.00 4.85 2.03 -1.26 -0.94 116.55 123.72 2a13 n ASP 139 Ca -0.13 -1.05 0.00 0.00 0.52 0.00 0.00 54.79 54.13 2a13 n ASP 139 Cb 0.46 -2.64 0.00 0.00 -0.72 0.00 0.00 41.12 38.22 2a13 n ASP 139 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a13 n GLY 140 N -1.58 1.09 3.90 0.27 0.00 -1.26 -5.03 105.19 102.58 2a13 n GLY 140 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2a13 n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a13 s LYS 141 N -0.01 3.50 -0.29 1.61 1.02 -0.12 -4.50 119.74 120.96 2a13 s LYS 141 Ca 0.00 -0.22 -0.20 0.00 0.02 0.00 0.00 55.97 55.57 2a13 s LYS 141 Cb 0.00 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 2a13 s LYS 141 CO 0.00 0.65 0.62 -1.17 -0.92 0.00 0.00 175.35 174.53 2a13 s LEU 142 N -1.91 4.12 0.03 3.17 2.96 -0.10 -0.48 118.68 126.46 2a13 s LEU 142 Ca 0.28 0.51 0.04 0.00 -0.22 0.00 0.00 54.13 54.74 2a13 s LEU 142 Cb -0.13 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 2a13 s LEU 142 CO 0.18 -0.43 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.16 2a13 s SER 143 N 1.59 4.59 0.10 3.68 0.15 -0.27 -0.59 113.70 122.94 2a13 s SER 143 Ca 0.25 -0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.67 2a13 s SER 143 Cb -0.15 -1.03 -0.03 0.00 -1.71 0.00 0.00 66.02 63.10 2a13 s SER 143 CO 0.11 0.25 0.05 -0.72 1.20 0.00 0.00 173.24 174.13 2a13 s TYR 144 N -1.06 0.62 -0.05 3.44 -0.85 -0.66 -1.07 117.35 117.72 2a13 s TYR 144 Ca 0.19 -1.07 0.02 0.00 -0.52 0.00 0.00 57.07 55.69 2a13 s TYR 144 Cb -0.11 -0.37 0.01 0.00 0.38 0.00 0.00 41.96 41.87 2a13 s TYR 144 CO 0.10 -0.48 -0.11 0.08 -1.52 0.00 0.00 175.55 173.61 2a13 s VAL 145 N -3.97 1.04 -0.18 -3.49 1.01 -0.37 -2.37 120.40 112.07 2a13 s VAL 145 Ca 0.15 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 2a13 s VAL 145 Cb 0.07 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 2a13 s VAL 145 CO -0.04 0.33 -0.04 -0.69 0.00 0.00 0.00 175.10 174.66 2a13 s VAL 146 N 0.52 3.66 0.47 2.92 1.01 -0.00 -1.35 120.40 127.63 2a13 s VAL 146 Ca -0.11 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.49 2a13 s VAL 146 Cb -0.14 -2.63 0.04 0.00 0.00 0.00 0.00 36.38 33.65 2a13 s VAL 146 CO 0.03 0.46 0.33 0.54 0.00 0.00 0.00 175.10 176.45 2a13 n ARG 147 N 4.07 0.80 -3.65 2.72 1.74 -0.44 -1.22 116.66 120.68 2a13 n ARG 147 Ca -0.18 -2.99 -0.10 0.00 -0.77 0.00 0.00 57.85 53.81 2a13 n ARG 147 Cb 0.52 0.36 -0.04 0.00 -1.02 0.00 0.00 32.46 32.28 2a13 n ARG 147 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2a13 s SER 149 N -3.76 -0.29 0.38 0.55 1.04 -0.44 -0.95 113.70 110.24 2a13 s SER 149 Ca 0.25 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.38 2a13 s SER 149 Cb -0.02 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 2a13 s SER 149 CO 0.16 -0.96 0.16 0.35 0.98 0.00 0.00 173.24 173.93 2a13 n THR 150 N -0.30 0.00 -0.18 2.02 -2.24 0.17 -1.09 114.28 112.66 2a13 n THR 150 Ca -0.13 -2.31 0.14 0.00 -2.27 0.00 0.00 64.05 59.48 2a13 n THR 150 Cb 0.63 0.88 0.48 0.00 -2.10 0.00 0.00 70.33 70.22 2a13 n THR 150 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2a13 h THR 151 N 1.71 0.81 0.00 4.28 2.02 -1.96 -3.19 112.91 116.59 2a13 h THR 151 Ca -0.29 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2a13 h THR 151 Cb 1.17 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2a13 h THR 151 CO 0.46 0.09 -1.03 0.35 0.37 0.00 0.00 175.52 175.75 2a13 n THR 152 N -4.49 0.00 -3.77 3.16 -2.24 -1.26 -4.92 114.28 100.75 2a13 n THR 152 Ca 0.15 -0.24 -0.37 0.00 -2.27 0.00 0.00 64.05 61.31 2a13 n THR 152 Cb 0.51 0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 69.18 2a13 n THR 152 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2a13 s ASN 153 N -2.60 5.12 0.84 3.42 -0.87 -1.20 -5.10 114.94 114.53 2a13 s ASN 153 Ca -0.01 -0.84 -0.11 0.00 -1.57 0.00 0.00 52.86 50.34 2a13 s ASN 153 Cb 0.06 -1.86 0.10 0.00 -0.02 0.00 0.00 41.25 39.53 2a13 s ASN 153 CO 0.39 -0.22 1.13 -2.84 -2.57 0.00 0.00 177.10 172.98 2a13 s PRO 154 N 1.46 1.63 -0.12 -0.60 0.02 -1.26 -0.65 135.00 135.48 2a13 s PRO 154 Ca 0.01 1.40 -0.39 0.00 0.02 0.00 0.00 61.00 62.04 2a13 s PRO 154 Cb -0.18 -1.81 -0.17 0.00 0.02 0.00 0.00 34.50 32.37 2a13 s PRO 154 CO 0.02 -2.15 1.51 -0.11 -0.33 0.00 0.00 177.00 175.94 2a13 n LEU 155 N -3.82 1.79 -3.58 -5.54 7.94 -1.26 -4.60 117.00 107.92 2a13 n LEU 155 Ca 0.11 1.11 -0.10 0.00 -1.11 0.00 0.00 56.01 56.02 2a13 n LEU 155 Cb 0.52 -1.12 -0.02 0.00 0.53 0.00 0.00 43.42 43.33 2a13 n LEU 155 CO 0.51 -0.85 0.46 0.00 -1.11 0.00 0.00 177.39 176.40 2a13 s GLN 156 N 1.91 1.40 0.24 1.96 -2.07 -1.26 -4.95 119.66 116.89 2a13 s GLN 156 Ca 0.92 -0.63 -0.30 0.00 -1.82 0.00 0.00 55.36 53.53 2a13 s GLN 156 Cb -1.07 0.57 -0.14 0.00 -1.09 0.00 0.00 33.01 31.28 2a13 s GLN 156 CO 0.58 -0.63 1.17 -2.30 -1.32 0.00 0.00 175.29 172.79 2a13 n PRO 157 N -0.40 1.47 0.04 9.60 -0.02 -1.26 -4.37 135.00 140.06 2a13 n PRO 157 Ca -0.12 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2a13 n PRO 157 Cb 0.63 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 2a13 n PRO 157 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2a13 n HIS 158 N 1.08 -0.55 -4.41 6.00 -0.00 -0.36 -4.68 115.22 112.30 2a13 n HIS 158 Ca 0.12 0.10 -0.23 0.00 0.46 0.00 0.00 57.72 58.17 2a13 n HIS 158 Cb 0.29 0.29 -0.13 0.00 -0.12 0.00 0.00 29.99 30.32 2a13 n HIS 158 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2a13 s LEU 159 N -6.07 2.22 -0.10 0.27 1.43 -0.68 -1.02 118.68 114.74 2a13 s LEU 159 Ca 0.00 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 2a13 s LEU 159 Cb 0.00 -0.81 0.03 0.00 0.03 0.00 0.00 46.19 45.44 2a13 s LEU 159 CO 0.00 0.07 0.31 -1.59 0.23 0.00 0.00 176.35 175.37 2a13 s LYS 160 N -1.47 0.41 0.08 1.70 -2.85 -0.64 -0.82 119.74 116.13 2a13 s LYS 160 Ca 0.05 0.34 -0.14 0.00 -1.00 0.00 0.00 55.97 55.22 2a13 s LYS 160 Cb -0.09 0.20 0.02 0.00 -2.06 0.00 0.00 37.83 35.90 2a13 s LYS 160 CO 0.03 -0.06 0.32 0.00 0.10 0.00 0.00 175.35 175.73 2a13 s ALA 161 N -0.06 -0.69 -0.05 0.59 0.00 -1.00 -0.91 121.76 119.64 2a13 s ALA 161 Ca -0.02 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.84 2a13 s ALA 161 Cb -0.03 0.47 0.02 0.00 0.00 0.00 0.00 23.12 23.58 2a13 s ALA 161 CO 0.01 -0.51 -0.09 0.42 0.00 0.00 0.00 175.76 175.60 2a13 s ILE 162 N -3.22 0.84 -0.01 0.00 1.01 -0.89 -1.66 121.20 117.27 2a13 s ILE 162 Ca -0.00 -0.31 0.06 0.00 0.00 0.00 0.00 60.65 60.39 2a13 s ILE 162 Cb 0.01 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 2a13 s ILE 162 CO -0.08 0.29 -0.18 -0.76 0.00 0.00 0.00 174.94 174.21 2a13 s LEU 163 N 0.70 2.04 0.15 2.97 1.02 0.24 -2.49 118.68 123.31 2a13 s LEU 163 Ca -0.12 -0.33 -0.15 0.00 0.02 0.00 0.00 54.13 53.56 2a13 s LEU 163 Cb -0.14 -0.93 -0.07 0.00 0.02 0.00 0.00 46.19 45.07 2a13 s LEU 163 CO 0.02 0.22 0.56 -1.81 0.02 0.00 0.00 176.35 175.36 2a13 s ASP 164 N -0.43 6.84 0.05 2.29 1.01 -0.22 -0.92 116.67 125.29 2a13 s ASP 164 Ca 0.07 1.10 -0.30 0.00 0.71 0.00 0.00 52.55 54.12 2a13 s ASP 164 Cb -0.07 -2.30 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 2a13 s ASP 164 CO -0.01 0.11 1.16 -0.75 0.21 0.00 0.00 175.17 175.89 2a13 s LYS 165 N -1.92 4.45 0.00 8.23 2.20 -1.26 -1.05 119.74 130.38 2a13 s LYS 165 Ca 0.38 1.71 0.30 0.00 -0.36 0.00 0.00 55.97 58.00 2a13 s LYS 165 Cb -0.15 -3.36 1.40 0.00 -1.51 0.00 0.00 37.83 34.21 2a13 s LYS 165 CO 0.19 -0.22 1.94 1.28 -0.36 0.00 0.00 175.35 178.18