#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vyr s VAL 2 N 0.00 3.45 -0.02 3.84 1.01 -1.26 -3.80 120.40 123.63 2vyr s VAL 2 Ca 0.00 0.89 0.03 0.00 0.00 0.00 0.00 61.98 62.90 2vyr s VAL 2 Cb 0.00 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 2vyr s VAL 2 CO 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 175.10 175.01 2vyr s GLN 3 N 2.28 0.93 -0.09 2.72 -2.07 0.11 -4.98 119.66 118.57 2vyr s GLN 3 Ca 0.67 -0.36 0.00 0.00 -1.82 0.00 0.00 55.36 53.85 2vyr s GLN 3 Cb -0.35 -0.88 0.02 0.00 -1.09 0.00 0.00 33.01 30.71 2vyr s GLN 3 CO 0.29 0.18 -0.07 -0.51 -1.32 0.00 0.00 175.29 173.86 2vyr s LEU 4 N -0.07 1.26 -0.35 2.60 1.43 -1.26 -1.12 118.68 121.17 2vyr s LEU 4 Ca 0.01 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 2vyr s LEU 4 Cb -0.06 -0.73 0.10 0.00 0.03 0.00 0.00 46.19 45.53 2vyr s LEU 4 CO 0.00 -0.08 0.08 -0.22 0.23 0.00 0.00 176.35 176.36 2vyr s LEU 5 N 1.35 4.46 0.42 1.79 2.96 0.06 -4.17 118.68 125.55 2vyr s LEU 5 Ca -0.03 -2.19 -0.22 0.00 -0.22 0.00 0.00 54.13 51.47 2vyr s LEU 5 Cb -0.14 -1.55 -0.10 0.00 0.50 0.00 0.00 46.19 44.90 2vyr s LEU 5 CO -0.04 -0.37 0.98 -1.61 -1.32 0.00 0.00 176.35 174.00 2vyr s GLU 6 N 0.85 4.18 0.28 1.98 8.01 -1.26 -1.15 118.70 131.59 2vyr s GLU 6 Ca 0.12 1.26 -0.16 0.00 0.01 0.00 0.00 54.97 56.19 2vyr s GLU 6 Cb -0.20 -2.30 0.01 0.00 -4.31 0.00 0.00 34.13 27.34 2vyr s GLU 6 CO -0.09 -0.09 0.62 -1.54 0.01 0.00 0.00 175.26 174.18 2vyr s SER 7 N -1.97 -0.11 0.00 -0.19 1.04 0.37 -4.70 113.70 108.14 2vyr s SER 7 Ca 0.61 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2vyr s SER 7 Cb -0.14 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2vyr s SER 7 CO 0.18 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.71 2vyr n GLY 8 N -0.44 0.45 3.57 7.32 0.00 -1.26 -1.01 105.19 113.81 2vyr n GLY 8 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2vyr n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vyr s GLY 9 N -1.76 1.54 0.00 -0.02 0.00 -1.26 -4.58 107.32 101.25 2vyr s GLY 9 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.31 2vyr s GLY 9 CO 0.00 0.32 0.00 0.61 0.00 0.00 0.00 173.10 174.03 2vyr n GLY 10 N -0.20 -0.57 3.64 0.20 0.00 -0.25 -4.92 105.19 103.08 2vyr n GLY 10 Ca 0.05 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 2vyr n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vyr s LEU 11 N 0.00 3.79 0.06 0.99 2.96 -1.26 -0.60 118.68 124.61 2vyr s LEU 11 Ca 0.00 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.97 2vyr s LEU 11 Cb 0.00 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 2vyr s LEU 11 CO 0.00 0.20 0.01 0.68 -1.32 0.00 0.00 176.35 175.92 2vyr s VAL 12 N 0.23 0.20 0.41 1.68 -7.23 -0.33 -4.99 120.40 110.38 2vyr s VAL 12 Ca 0.04 -1.70 -0.08 0.00 -1.81 0.00 0.00 61.98 58.42 2vyr s VAL 12 Cb -0.12 -1.50 -0.05 0.00 0.56 0.00 0.00 36.38 35.26 2vyr s VAL 12 CO 0.01 -0.93 0.74 -1.10 -0.31 0.00 0.00 175.10 173.51 2vyr s GLN 13 N -3.91 3.69 0.34 4.82 -0.21 -1.26 -1.98 119.66 121.15 2vyr s GLN 13 Ca 0.07 0.33 -0.26 0.00 0.02 0.00 0.00 55.36 55.52 2vyr s GLN 13 Cb 0.07 -2.42 -0.13 0.00 1.00 0.00 0.00 33.01 31.53 2vyr s GLN 13 CO -0.10 -0.05 0.87 -2.30 -2.12 0.00 0.00 175.29 171.59 2vyr n PRO 14 N -1.52 1.07 0.00 2.91 -0.02 -1.26 -0.87 135.00 135.31 2vyr n PRO 14 Ca 0.01 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2vyr n PRO 14 Cb 0.54 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2vyr n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vyr n GLY 15 N 1.39 2.87 0.78 -1.23 0.00 0.87 -4.90 105.19 104.97 2vyr n GLY 15 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 2vyr n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vyr n GLY 16 N -2.00 -1.99 3.13 -0.02 0.00 -0.05 -3.80 105.19 100.46 2vyr n GLY 16 Ca 0.00 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 2vyr n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vyr s SER 17 N -2.10 0.22 0.01 1.61 1.04 -1.26 -1.97 113.70 111.25 2vyr s SER 17 Ca 0.16 -0.64 -0.09 0.00 0.48 0.00 0.00 55.95 55.86 2vyr s SER 17 Cb -0.01 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2vyr s SER 17 CO 0.11 -0.57 0.18 -0.76 0.98 0.00 0.00 173.24 173.18 2vyr s LEU 18 N -2.42 1.41 -0.16 2.42 1.43 -0.47 -5.02 118.68 115.87 2vyr s LEU 18 Ca -0.01 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 2vyr s LEU 18 Cb 0.02 0.83 0.02 0.00 0.03 0.00 0.00 46.19 47.08 2vyr s LEU 18 CO -0.07 -0.43 -0.20 -0.60 0.23 0.00 0.00 176.35 175.29 2vyr s ARG 19 N -1.66 2.87 0.16 1.70 3.52 -1.26 -0.58 118.95 123.70 2vyr s ARG 19 Ca -0.12 -0.79 -0.06 0.00 -0.13 0.00 0.00 55.73 54.63 2vyr s ARG 19 Cb -0.06 -2.42 -0.06 0.00 -1.56 0.00 0.00 34.95 30.85 2vyr s ARG 19 CO 0.01 -0.13 0.42 -0.51 -0.81 0.00 0.00 175.30 174.27 2vyr s LEU 20 N 1.11 4.24 0.05 -0.88 1.43 -0.15 -4.53 118.68 119.96 2vyr s LEU 20 Ca -0.00 0.66 0.05 0.00 -1.03 0.00 0.00 54.13 53.81 2vyr s LEU 20 Cb -0.14 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 2vyr s LEU 20 CO -0.08 0.02 -0.15 -0.44 0.23 0.00 0.00 176.35 175.93 2vyr s SER 21 N -2.42 1.78 -0.19 2.29 0.01 -0.18 -1.41 113.70 113.58 2vyr s SER 21 Ca 0.43 -0.53 -0.02 0.00 1.31 0.00 0.00 55.95 57.14 2vyr s SER 21 Cb -0.12 -0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.07 2vyr s SER 21 CO 0.24 0.01 0.01 0.00 0.41 0.00 0.00 173.24 173.91 2vyr s ALA 23 N 1.77 3.58 -0.02 0.00 0.00 -0.30 -1.51 121.76 125.28 2vyr s ALA 23 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2vyr s ALA 23 Cb -0.17 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2vyr s ALA 23 CO -0.07 -1.03 0.01 0.00 0.00 0.00 0.00 175.76 174.67 2vyr s ALA 24 N 2.77 3.32 0.25 0.00 0.00 -0.23 -0.76 121.76 127.11 2vyr s ALA 24 Ca 0.30 -0.91 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 2vyr s ALA 24 Cb -0.15 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.58 2vyr s ALA 24 CO 0.10 0.64 0.57 -1.54 0.00 0.00 0.00 175.76 175.53 2vyr s SER 25 N -1.42 -0.19 0.00 0.00 1.04 -0.27 -4.84 113.70 108.02 2vyr s SER 25 Ca 0.18 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.89 2vyr s SER 25 Cb -0.12 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2vyr s SER 25 CO 0.09 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.72 2vyr n GLY 26 N -0.40 0.74 3.75 7.32 0.00 -1.25 -0.71 105.19 114.63 2vyr n GLY 26 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 2vyr n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vyr s PHE 27 N -2.43 0.03 -0.99 1.61 -0.12 -1.26 -4.15 117.98 110.67 2vyr s PHE 27 Ca 0.00 -0.44 -0.21 0.00 -0.05 0.00 0.00 56.93 56.22 2vyr s PHE 27 Cb 0.00 0.50 0.08 0.00 -0.63 0.00 0.00 43.02 42.97 2vyr s PHE 27 CO 0.00 -1.14 1.34 0.99 -0.05 0.00 0.00 175.22 176.37 2vyr s THR 28 N -3.96 4.20 0.27 -4.49 2.01 -1.26 -4.86 115.64 107.56 2vyr s THR 28 Ca 0.15 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 61.10 2vyr s THR 28 Cb -0.04 -4.96 0.27 0.00 0.01 0.00 0.00 72.50 67.77 2vyr s THR 28 CO 0.08 -1.79 1.70 0.15 -0.69 0.00 0.00 174.62 174.06 2vyr h PHE 29 N 9.44 0.51 0.00 4.92 3.57 -1.95 -1.40 116.94 132.03 2vyr h PHE 29 Ca 0.19 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2vyr h PHE 29 Cb 1.01 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.66 2vyr h PHE 29 CO 1.24 -0.05 0.00 -0.85 -2.23 0.00 0.00 178.31 176.42 2vyr n GLU 30 N -5.08 0.34 0.00 1.11 0.28 -1.26 -1.81 120.64 114.23 2vyr n GLU 30 Ca 0.19 0.09 0.11 0.00 -0.16 0.00 0.00 57.16 57.39 2vyr n GLU 30 Cb 0.57 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 32.04 2vyr n GLU 30 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2vyr n GLU 31 N -1.21 0.07 -4.98 3.44 1.02 -0.53 -4.73 120.64 113.73 2vyr n GLU 31 Ca 0.10 -0.05 -0.32 0.00 -0.02 0.00 0.00 57.16 56.87 2vyr n GLU 31 Cb 0.12 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.89 2vyr n GLU 31 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2vyr s TYR 32 N -2.96 2.69 0.76 -0.32 1.51 -0.75 -4.83 117.35 113.45 2vyr s TYR 32 Ca 0.11 -0.78 -0.15 0.00 -1.01 0.00 0.00 57.07 55.24 2vyr s TYR 32 Cb 0.17 -1.77 0.02 0.00 -0.11 0.00 0.00 41.96 40.27 2vyr s TYR 32 CO 0.76 -0.27 0.93 0.00 -1.11 0.00 0.00 175.55 175.85 2vyr n ALA 33 N 3.43 -0.54 -2.66 3.71 0.00 0.18 -3.88 120.51 120.76 2vyr n ALA 33 Ca -0.18 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 2vyr n ALA 33 Cb 0.53 -2.09 -0.11 0.00 0.00 0.00 0.00 19.45 17.78 2vyr n ALA 33 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2vyr s MET 34 N -3.48 0.45 0.15 0.00 -1.94 -0.27 -4.39 119.30 109.82 2vyr s MET 34 Ca 0.71 -0.85 0.07 0.00 -1.71 0.00 0.00 55.69 53.92 2vyr s MET 34 Cb -0.32 0.09 -0.04 0.00 2.01 0.00 0.00 34.83 36.57 2vyr s MET 34 CO 0.53 -0.06 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.80 2vyr s LEU 35 N -2.00 2.43 -0.08 -0.03 1.43 -0.49 -1.29 118.68 118.66 2vyr s LEU 35 Ca -0.07 -0.85 0.01 0.00 -1.03 0.00 0.00 54.13 52.19 2vyr s LEU 35 Cb -0.04 -0.72 -0.03 0.00 0.03 0.00 0.00 46.19 45.44 2vyr s LEU 35 CO -0.04 -0.08 -0.09 0.26 0.23 0.00 0.00 176.35 176.63 2vyr s TRP 36 N -2.13 2.89 0.18 0.29 0.52 -0.25 -0.85 118.94 119.58 2vyr s TRP 36 Ca 0.13 -0.11 0.02 0.00 0.02 0.00 0.00 56.10 56.17 2vyr s TRP 36 Cb -0.05 -1.73 -0.05 0.00 -1.15 0.00 0.00 33.47 30.49 2vyr s TRP 36 CO 0.05 0.21 -0.02 0.14 0.02 0.00 0.00 176.95 177.36 2vyr s VAL 37 N -0.55 0.81 0.06 4.03 -7.23 -0.25 -1.34 120.40 115.92 2vyr s VAL 37 Ca 0.08 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.19 2vyr s VAL 37 Cb -0.12 -2.10 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 2vyr s VAL 37 CO 0.02 -0.51 0.12 0.00 -0.31 0.00 0.00 175.10 174.42 2vyr s ARG 38 N -3.88 0.69 -0.17 4.82 1.70 0.00 -0.27 118.95 121.84 2vyr s ARG 38 Ca 0.23 -0.86 -0.00 0.00 -0.47 0.00 0.00 55.73 54.63 2vyr s ARG 38 Cb 0.05 0.27 0.04 0.00 -0.57 0.00 0.00 34.95 34.75 2vyr s ARG 38 CO 0.04 -0.19 -0.07 -1.14 -1.08 0.00 0.00 175.30 172.86 2vyr s GLN 39 N -3.17 1.59 0.44 3.89 0.74 -0.23 0.17 119.66 123.09 2vyr s GLN 39 Ca -0.00 -0.60 -0.07 0.00 0.05 0.00 0.00 55.36 54.74 2vyr s GLN 39 Cb 0.02 -2.11 -0.05 0.00 1.10 0.00 0.00 33.01 31.98 2vyr s GLN 39 CO -0.07 -0.43 0.76 0.00 -0.55 0.00 0.00 175.29 175.00 2vyr s ALA 40 N 1.57 3.40 0.10 1.58 0.00 -1.26 -1.76 121.76 125.39 2vyr s ALA 40 Ca 0.00 -0.41 -0.33 0.00 0.00 0.00 0.00 51.96 51.22 2vyr s ALA 40 Cb -0.15 -2.60 -0.12 0.00 0.00 0.00 0.00 23.12 20.24 2vyr s ALA 40 CO -0.08 -0.19 1.72 -2.30 0.00 0.00 0.00 175.76 174.91 2vyr n PRO 41 N -1.84 2.37 -0.99 0.00 -0.02 -1.26 -1.48 135.00 131.78 2vyr n PRO 41 Ca 0.01 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2vyr n PRO 41 Cb 0.55 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2vyr n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vyr n GLY 42 N 3.87 0.61 3.47 -1.23 0.00 -1.26 -5.01 105.19 105.65 2vyr n GLY 42 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2vyr n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vyr s LYS 43 N -0.08 1.66 0.71 1.61 1.02 -0.55 -5.13 119.74 118.98 2vyr s LYS 43 Ca 0.00 -1.83 -0.11 0.00 0.02 0.00 0.00 55.97 54.05 2vyr s LYS 43 Cb 0.00 -1.45 0.02 0.00 -0.52 0.00 0.00 37.83 35.88 2vyr s LYS 43 CO 0.00 0.12 1.07 0.20 -0.92 0.00 0.00 175.35 175.82 2vyr s GLY 44 N -3.51 1.66 0.28 -3.33 0.00 -1.26 -4.56 107.32 96.60 2vyr s GLY 44 Ca 0.30 0.03 -0.30 0.00 0.00 0.00 0.00 44.72 44.75 2vyr s GLY 44 CO 0.14 0.36 1.44 -0.10 0.00 0.00 0.00 173.10 174.93 2vyr n LEU 45 N -3.17 3.61 -4.13 0.66 7.94 -1.26 -4.55 117.00 116.10 2vyr n LEU 45 Ca 0.07 1.16 -0.32 0.00 -1.11 0.00 0.00 56.01 55.82 2vyr n LEU 45 Cb 0.54 -1.49 -0.16 0.00 0.53 0.00 0.00 43.42 42.83 2vyr n LEU 45 CO 0.56 -0.29 -0.53 -0.70 -1.11 0.00 0.00 177.39 175.32 2vyr s GLU 46 N -0.82 2.85 0.26 1.96 2.12 0.13 -4.96 118.70 120.24 2vyr s GLU 46 Ca 0.64 -0.79 -0.30 0.00 0.36 0.00 0.00 54.97 54.88 2vyr s GLU 46 Cb -0.58 -2.38 -0.11 0.00 0.26 0.00 0.00 34.13 31.32 2vyr s GLU 46 CO 0.53 -0.10 1.52 -0.46 -0.54 0.00 0.00 175.26 176.21 2vyr s TRP 47 N 1.03 2.91 -0.09 5.30 -0.00 -1.26 -0.82 118.94 126.01 2vyr s TRP 47 Ca -0.02 0.87 -0.03 0.00 -0.00 0.00 0.00 56.10 56.91 2vyr s TRP 47 Cb -0.14 -3.94 -0.05 0.00 -0.00 0.00 0.00 33.47 29.34 2vyr s TRP 47 CO -0.06 -3.17 -0.11 0.28 -0.00 0.00 0.00 176.95 173.89 2vyr n VAL 48 N 2.48 0.51 -3.49 5.86 0.31 -0.45 -4.64 118.33 118.91 2vyr n VAL 48 Ca 0.08 -0.15 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 2vyr n VAL 48 Cb 0.39 -1.33 -0.02 0.00 -0.91 0.00 0.00 33.84 31.96 2vyr n VAL 48 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2vyr s SER 49 N -5.49 -0.44 0.16 4.52 0.15 -0.97 -1.53 113.70 110.11 2vyr s SER 49 Ca -0.13 -0.04 -0.13 0.00 0.70 0.00 0.00 55.95 56.35 2vyr s SER 49 Cb 0.04 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.85 2vyr s SER 49 CO 0.18 -0.80 0.39 -0.83 1.20 0.00 0.00 173.24 173.38 2vyr s GLY 50 N -2.62 0.10 -0.15 9.45 0.00 -0.72 -1.09 107.32 112.29 2vyr s GLY 50 Ca 0.04 -0.47 -0.14 0.00 0.00 0.00 0.00 44.72 44.15 2vyr s GLY 50 CO -0.10 -0.52 0.40 -1.50 0.00 0.00 0.00 173.10 171.38 2vyr s ILE 51 N -3.90 0.00 0.93 0.90 2.07 -0.41 -1.54 121.20 119.25 2vyr s ILE 51 Ca 0.11 -0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.23 2vyr s ILE 51 Cb 0.01 -0.56 0.15 0.00 0.13 0.00 0.00 42.46 42.19 2vyr s ILE 51 CO -0.04 -0.00 1.10 0.54 -1.91 0.00 0.00 174.94 174.63 2vyr s ASN 52 N 0.21 3.23 0.23 4.50 4.22 -0.63 -1.11 114.94 125.58 2vyr s ASN 52 Ca -0.00 1.34 -0.07 0.00 -2.14 0.00 0.00 52.86 51.99 2vyr s ASN 52 Cb -0.03 -2.01 0.33 0.00 1.28 0.00 0.00 41.25 40.82 2vyr s ASN 52 CO 0.01 -2.77 1.79 0.00 -2.04 0.00 0.00 177.10 174.08 2vyr h ALA 53 N -1.64 1.00 0.00 3.54 0.00 -1.87 -1.75 119.26 118.54 2vyr h ALA 53 Ca -0.51 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2vyr h ALA 53 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2vyr h ALA 53 CO 0.56 -0.01 0.00 0.54 0.00 0.00 0.00 179.25 180.34 2vyr n ARG 54 N -4.84 0.22 -0.97 0.00 5.12 -1.26 -4.91 116.66 110.03 2vyr n ARG 54 Ca 0.11 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 2vyr n ARG 54 Cb 0.26 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 2vyr n ARG 54 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2vyr n GLY 55 N 0.84 0.86 0.71 -0.13 0.00 -0.66 -4.86 105.19 101.95 2vyr n GLY 55 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 2vyr n GLY 55 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2vyr n TYR 56 N -2.13 0.00 -4.26 1.61 0.18 -1.26 -4.84 117.16 106.45 2vyr n TYR 56 Ca 0.00 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.45 2vyr n TYR 56 Cb 0.01 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.81 2vyr n TYR 56 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2vyr s THR 57 N -1.63 2.57 0.17 -3.48 2.01 -1.26 -5.05 115.64 108.97 2vyr s THR 57 Ca 0.21 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.49 2vyr s THR 57 Cb 0.16 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 2vyr s THR 57 CO 0.26 0.51 -0.14 0.42 -0.69 0.00 0.00 174.62 174.98 2vyr s THR 58 N 1.12 1.52 0.00 -0.82 -4.23 -1.26 -1.61 115.64 110.36 2vyr s THR 58 Ca 0.01 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 2vyr s THR 58 Cb -0.14 -1.87 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 2vyr s THR 58 CO -0.05 -0.57 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.13 2vyr s TYR 59 N -2.81 0.18 0.01 3.99 1.51 -0.59 -4.99 117.35 114.65 2vyr s TYR 59 Ca 0.18 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 56.12 2vyr s TYR 59 Cb -0.01 -0.12 -0.01 0.00 -0.11 0.00 0.00 41.96 41.71 2vyr s TYR 59 CO 0.04 -0.04 -0.05 0.71 -1.11 0.00 0.00 175.55 175.11 2vyr s TYR 60 N -0.33 0.44 0.52 2.71 1.51 -1.26 -1.76 117.35 119.18 2vyr s TYR 60 Ca -0.03 -0.20 -0.21 0.00 -1.01 0.00 0.00 57.07 55.63 2vyr s TYR 60 Cb -0.03 -0.28 -0.06 0.00 -0.11 0.00 0.00 41.96 41.48 2vyr s TYR 60 CO -0.00 -0.03 1.16 0.00 -1.11 0.00 0.00 175.55 175.56 2vyr s ALA 61 N -0.47 2.78 0.56 3.71 0.00 -0.58 -4.87 121.76 122.90 2vyr s ALA 61 Ca -0.02 0.90 0.25 0.00 0.00 0.00 0.00 51.96 53.09 2vyr s ALA 61 Cb -0.04 -3.38 1.57 0.00 0.00 0.00 0.00 23.12 21.26 2vyr s ALA 61 CO -0.00 -0.78 2.14 -0.44 0.00 0.00 0.00 175.76 176.68 2vyr h ASP 62 N 1.48 0.00 0.71 0.00 3.45 -1.94 -1.86 116.42 118.27 2vyr h ASP 62 Ca -0.50 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.96 2vyr h ASP 62 Cb 1.26 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.03 2vyr h ASP 62 CO 0.58 0.00 0.00 0.77 -1.57 0.00 0.00 179.24 179.02 2vyr h SER 63 N 0.00 0.00 0.00 6.45 4.64 -1.96 -3.24 113.55 119.44 2vyr h SER 63 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2vyr h SER 63 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2vyr h SER 63 CO -0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 2vyr n VAL 64 N -2.64 0.00 -1.62 0.95 0.24 -0.74 -5.03 118.33 109.49 2vyr n VAL 64 Ca 0.01 -0.31 -0.50 0.00 -2.04 0.00 0.00 64.34 61.49 2vyr n VAL 64 Cb 0.23 1.29 -0.05 0.00 -1.47 0.00 0.00 33.84 33.83 2vyr n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2vyr n LYS 65 N -0.14 1.50 0.00 7.34 4.81 -0.96 -1.13 118.16 129.58 2vyr n LYS 65 Ca 0.00 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 2vyr n LYS 65 Cb 0.07 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 32.89 2vyr n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vyr n GLY 66 N 2.93 2.68 0.05 3.14 0.00 -1.26 -4.79 105.19 107.94 2vyr n GLY 66 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 2vyr n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vyr n ARG 67 N -2.00 1.99 -4.15 1.61 1.74 -0.28 -5.02 116.66 110.55 2vyr n ARG 67 Ca 0.00 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 2vyr n ARG 67 Cb 0.00 -1.27 -0.08 0.00 -1.02 0.00 0.00 32.46 30.09 2vyr n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2vyr s PHE 68 N -2.26 3.11 -0.07 -1.55 0.40 -0.93 -1.20 117.98 115.48 2vyr s PHE 68 Ca -0.07 0.07 -0.00 0.00 -0.60 0.00 0.00 56.93 56.32 2vyr s PHE 68 Cb 0.03 -1.63 0.03 0.00 0.51 0.00 0.00 43.02 41.96 2vyr s PHE 68 CO 0.42 0.49 -0.03 0.99 0.70 0.00 0.00 175.22 177.80 2vyr s THR 69 N -1.25 0.57 0.02 0.64 2.01 0.65 -4.92 115.64 113.36 2vyr s THR 69 Ca 0.24 -0.04 -0.09 0.00 0.31 0.00 0.00 61.69 62.11 2vyr s THR 69 Cb -0.12 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 2vyr s THR 69 CO 0.16 0.28 0.33 -0.51 -0.69 0.00 0.00 174.62 174.19 2vyr s ILE 70 N 1.63 5.19 0.23 1.82 2.07 -1.26 -0.16 121.20 130.71 2vyr s ILE 70 Ca 0.01 0.41 -0.16 0.00 -1.41 0.00 0.00 60.65 59.50 2vyr s ILE 70 Cb -0.13 -3.61 0.01 0.00 0.13 0.00 0.00 42.46 38.86 2vyr s ILE 70 CO -0.04 0.40 0.53 -0.94 -1.91 0.00 0.00 174.94 172.97 2vyr s SER 71 N -1.54 -0.17 -0.01 4.50 1.04 -0.78 -5.00 113.70 111.74 2vyr s SER 71 Ca 0.28 -0.72 -0.12 0.00 0.48 0.00 0.00 55.95 55.87 2vyr s SER 71 Cb -0.14 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.60 2vyr s SER 71 CO 0.15 -1.13 0.26 0.00 0.98 0.00 0.00 173.24 173.49 2vyr s ARG 72 N -3.95 0.60 -0.44 4.02 1.70 -1.26 -0.41 118.95 119.20 2vyr s ARG 72 Ca 0.15 -0.23 0.02 0.00 -0.47 0.00 0.00 55.73 55.21 2vyr s ARG 72 Cb -0.02 0.26 0.13 0.00 -0.57 0.00 0.00 34.95 34.76 2vyr s ARG 72 CO 0.04 -0.16 0.22 0.34 -1.08 0.00 0.00 175.30 174.67 2vyr s ASP 73 N -1.28 3.89 0.38 -2.89 3.68 -0.11 -4.99 116.67 115.35 2vyr s ASP 73 Ca -0.13 -2.61 0.11 0.00 2.13 0.00 0.00 52.55 52.04 2vyr s ASP 73 Cb -0.06 -1.19 0.88 0.00 -1.45 0.00 0.00 42.92 41.10 2vyr s ASP 73 CO 0.03 -0.28 1.91 0.78 0.13 0.00 0.00 175.17 177.74 2vyr h ASN 74 N 6.83 0.57 0.15 -0.34 2.35 -1.94 -0.96 115.58 122.24 2vyr h ASN 74 Ca -0.04 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2vyr h ASN 74 Cb 0.93 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 2vyr h ASN 74 CO 0.53 0.31 -0.01 0.77 -1.65 0.00 0.00 177.43 177.37 2vyr h SER 75 N 0.61 0.00 -0.30 5.81 4.64 -1.95 -0.76 113.55 121.61 2vyr h SER 75 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2vyr h SER 75 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2vyr h SER 75 CO -0.15 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.11 2vyr n LYS 76 N -3.32 2.88 -4.14 4.77 5.02 -0.42 -4.99 118.16 117.95 2vyr n LYS 76 Ca -0.02 -2.15 -0.33 0.00 -2.02 0.00 0.00 58.31 53.79 2vyr n LYS 76 Cb 0.12 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 2vyr n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2vyr n ASN 77 N 0.25 -2.45 -4.05 4.39 5.03 -0.29 -4.83 115.26 113.32 2vyr n ASN 77 Ca 0.12 -1.01 -0.22 0.00 0.87 0.00 0.00 54.58 54.35 2vyr n ASN 77 Cb 0.49 -2.85 -0.15 0.00 -1.02 0.00 0.00 39.78 36.25 2vyr n ASN 77 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2vyr s THR 78 N -3.50 0.99 -0.01 3.41 2.01 -1.02 -1.07 115.64 116.44 2vyr s THR 78 Ca 0.52 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 62.05 2vyr s THR 78 Cb -0.28 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 2vyr s THR 78 CO 0.92 0.29 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.89 2vyr s LEU 79 N 0.01 3.36 0.12 4.42 2.96 -0.57 -0.93 118.68 128.04 2vyr s LEU 79 Ca -0.01 -0.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.94 2vyr s LEU 79 Cb -0.08 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 2vyr s LEU 79 CO 0.01 0.30 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.82 2vyr s TYR 80 N -1.01 1.78 -0.24 5.38 1.51 0.45 -0.28 117.35 124.94 2vyr s TYR 80 Ca 0.17 -0.44 -0.01 0.00 -1.01 0.00 0.00 57.07 55.78 2vyr s TYR 80 Cb -0.11 -0.95 0.07 0.00 -0.11 0.00 0.00 41.96 40.86 2vyr s TYR 80 CO 0.08 0.24 0.04 -1.17 -1.11 0.00 0.00 175.55 173.62 2vyr s LEU 81 N -2.14 1.80 -0.23 -1.29 2.96 -0.50 -1.87 118.68 117.43 2vyr s LEU 81 Ca 0.09 -1.15 -0.24 0.00 -0.22 0.00 0.00 54.13 52.61 2vyr s LEU 81 Cb -0.09 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 2vyr s LEU 81 CO 0.05 -0.33 0.80 -1.58 -1.32 0.00 0.00 176.35 173.97 2vyr s GLN 82 N 1.69 4.20 -0.20 1.98 2.00 0.77 -0.98 119.66 129.12 2vyr s GLN 82 Ca 0.01 0.90 -0.01 0.00 -2.00 0.00 0.00 55.36 54.27 2vyr s GLN 82 Cb -0.17 -3.63 0.01 0.00 0.80 0.00 0.00 33.01 30.02 2vyr s GLN 82 CO -0.13 -0.45 -0.14 -1.64 -0.50 0.00 0.00 175.29 172.43 2vyr s MET 83 N 2.61 3.07 0.35 1.67 -1.94 0.26 -0.26 119.30 125.06 2vyr s MET 83 Ca 0.34 -0.80 0.09 0.00 -1.71 0.00 0.00 55.69 53.61 2vyr s MET 83 Cb -0.16 -2.76 -0.06 0.00 2.01 0.00 0.00 34.83 33.87 2vyr s MET 83 CO 0.09 -0.24 -0.01 -0.80 -0.01 0.00 0.00 175.02 174.05 2vyr s ASN 84 N 1.34 4.04 -1.36 3.03 0.01 -0.34 -1.37 114.94 120.29 2vyr s ASN 84 Ca 0.04 -1.09 -0.11 0.00 -0.71 0.00 0.00 52.86 50.99 2vyr s ASN 84 Cb -0.14 -0.46 0.01 0.00 0.41 0.00 0.00 41.25 41.07 2vyr s ASN 84 CO -0.09 -0.27 0.43 -1.20 -1.51 0.00 0.00 177.10 174.46 2vyr n SER 85 N -0.93 -1.63 -4.77 -1.22 7.64 -1.02 -4.71 113.62 106.99 2vyr n SER 85 Ca -0.04 -1.14 -0.38 0.00 1.01 0.00 0.00 58.87 58.32 2vyr n SER 85 Cb 0.63 -2.46 -0.00 0.00 -1.01 0.00 0.00 64.21 61.38 2vyr n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2vyr s LEU 86 N -7.09 4.03 0.28 -3.43 1.43 -0.83 -4.60 118.68 108.47 2vyr s LEU 86 Ca 0.18 2.45 0.11 0.00 -1.03 0.00 0.00 54.13 55.84 2vyr s LEU 86 Cb -0.09 -4.17 -0.05 0.00 0.03 0.00 0.00 46.19 41.91 2vyr s LEU 86 CO 0.93 -1.00 -0.15 -0.13 0.23 0.00 0.00 176.35 176.23 2vyr s ARG 87 N -2.62 1.82 0.30 1.70 3.00 -1.26 -0.09 118.95 121.80 2vyr s ARG 87 Ca 0.63 -1.71 0.05 0.00 0.00 0.00 0.00 55.73 54.70 2vyr s ARG 87 Cb -0.32 -1.85 0.74 0.00 0.00 0.00 0.00 34.95 33.52 2vyr s ARG 87 CO 0.40 0.32 1.76 1.79 0.00 0.00 0.00 175.30 179.56 2vyr h THR 88 N 2.17 0.65 0.00 0.02 1.35 -1.97 -0.68 112.91 114.44 2vyr h THR 88 Ca -0.41 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2vyr h THR 88 Cb 1.26 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2vyr h THR 88 CO 0.61 0.12 0.00 -0.62 -0.25 0.00 0.00 175.52 175.38 2vyr n GLU 89 N -4.84 0.11 0.00 4.72 4.71 -1.26 -1.75 120.64 122.33 2vyr n GLU 89 Ca 0.23 0.19 0.14 0.00 -0.01 0.00 0.00 57.16 57.71 2vyr n GLU 89 Cb 0.60 -1.50 0.60 0.00 -1.01 0.00 0.00 31.44 30.13 2vyr n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2vyr n ASP 90 N -1.39 0.81 -4.69 1.62 10.43 -0.26 -4.86 116.55 118.22 2vyr n ASP 90 Ca 0.05 -0.99 -0.43 0.00 2.57 0.00 0.00 54.79 55.99 2vyr n ASP 90 Cb 0.15 -0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.07 2vyr n ASP 90 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 2vyr n THR 91 N -0.55 0.33 -3.59 -3.53 -1.04 -0.72 -4.88 114.28 100.30 2vyr n THR 91 Ca 0.17 -0.06 0.01 0.00 -2.04 0.00 0.00 64.05 62.14 2vyr n THR 91 Cb 0.29 -2.03 -0.01 0.00 -1.82 0.00 0.00 70.33 66.76 2vyr n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2vyr s ALA 92 N 2.59 -2.39 -0.10 2.41 0.00 -0.63 -4.47 121.76 119.17 2vyr s ALA 92 Ca 0.82 1.39 -0.22 0.00 0.00 0.00 0.00 51.96 53.95 2vyr s ALA 92 Cb -0.52 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 2vyr s ALA 92 CO 0.38 -0.84 0.64 0.08 0.00 0.00 0.00 175.76 176.02 2vyr s VAL 93 N -2.01 5.07 -0.12 0.00 1.01 -0.72 -0.63 120.40 123.00 2vyr s VAL 93 Ca 0.14 1.29 -0.06 0.00 0.00 0.00 0.00 61.98 63.36 2vyr s VAL 93 Cb 0.04 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2vyr s VAL 93 CO -0.05 0.24 0.08 -0.31 0.00 0.00 0.00 175.10 175.06 2vyr s TYR 94 N 0.95 3.38 -0.03 5.22 1.51 0.14 -1.07 117.35 127.46 2vyr s TYR 94 Ca 0.33 0.32 0.06 0.00 -1.01 0.00 0.00 57.07 56.78 2vyr s TYR 94 Cb -0.17 -1.93 -0.01 0.00 -0.11 0.00 0.00 41.96 39.74 2vyr s TYR 94 CO 0.15 0.52 -0.21 0.71 -1.11 0.00 0.00 175.55 175.61 2vyr s TYR 95 N -0.65 1.90 0.15 2.71 1.51 0.62 -1.36 117.35 122.23 2vyr s TYR 95 Ca 0.12 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.47 2vyr s TYR 95 Cb -0.12 -1.24 -0.07 0.00 -0.11 0.00 0.00 41.96 40.42 2vyr s TYR 95 CO 0.02 -0.08 0.91 0.00 -1.11 0.00 0.00 175.55 175.29 2vyr s ALA 97 N -0.48 0.71 -0.29 0.00 0.00 -0.03 -2.69 121.76 118.98 2vyr s ALA 97 Ca 0.43 -0.14 -0.16 0.00 0.00 0.00 0.00 51.96 52.09 2vyr s ALA 97 Cb -0.24 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 2vyr s ALA 97 CO 0.29 0.04 0.43 0.21 0.00 0.00 0.00 175.76 176.74 2vyr s LYS 98 N 0.64 3.89 0.54 0.00 2.20 -0.40 -1.39 119.74 125.21 2vyr s LYS 98 Ca -0.09 0.00 -0.20 0.00 -0.36 0.00 0.00 55.97 55.33 2vyr s LYS 98 Cb -0.12 -3.71 -0.06 0.00 -1.51 0.00 0.00 37.83 32.43 2vyr s LYS 98 CO 0.00 -0.40 1.12 -1.25 -0.36 0.00 0.00 175.35 174.46 2vyr s PRO 99 N 2.19 3.41 0.30 4.03 0.04 -1.26 -2.15 135.00 141.56 2vyr s PRO 99 Ca 0.17 1.58 0.06 0.00 0.04 0.00 0.00 61.00 62.85 2vyr s PRO 99 Cb -0.16 -2.02 0.48 0.00 0.04 0.00 0.00 34.50 32.85 2vyr s PRO 99 CO 0.11 -0.79 1.72 0.11 0.04 0.00 0.00 177.00 178.19 2vyr h TRP 100 N 1.24 0.31 -3.72 0.56 5.08 -1.96 -3.41 115.95 114.05 2vyr h TRP 100 Ca -0.50 -0.08 -0.63 0.00 1.08 0.00 0.00 58.89 58.77 2vyr h TRP 100 Cb 1.26 -0.07 -0.15 0.00 -3.00 0.00 0.00 29.16 27.20 2vyr h TRP 100 CO 0.52 0.60 -0.24 -0.47 -1.28 0.00 0.00 178.44 177.57 2vyr s TYR 101 N -4.24 3.25 0.56 0.12 5.04 -1.26 -4.98 117.35 115.83 2vyr s TYR 101 Ca -0.05 0.41 0.26 0.00 -2.44 0.00 0.00 57.07 55.25 2vyr s TYR 101 Cb 0.14 -2.57 1.52 0.00 0.35 0.00 0.00 41.96 41.40 2vyr s TYR 101 CO 0.77 -0.22 2.06 -1.35 -1.34 0.00 0.00 175.55 175.47 2vyr h PRO 102 N 8.16 0.00 -0.41 4.97 0.11 -1.89 -2.03 132.00 140.91 2vyr h PRO 102 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2vyr h PRO 102 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2vyr h PRO 102 CO 0.64 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.62 2vyr n PHE 103 N -4.06 0.53 -2.79 0.65 3.01 -1.26 -0.65 117.46 112.89 2vyr n PHE 103 Ca 0.04 -0.28 -0.43 0.00 1.01 0.00 0.00 57.45 57.80 2vyr n PHE 103 Cb 0.41 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.84 2vyr n PHE 103 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 2vyr s MET 104 N -1.41 3.17 0.00 -1.08 1.75 -0.77 -4.79 119.30 116.17 2vyr s MET 104 Ca 0.38 -0.61 0.07 0.00 -1.25 0.00 0.00 55.69 54.29 2vyr s MET 104 Cb 0.22 -4.19 0.02 0.00 2.84 0.00 0.00 34.83 33.73 2vyr s MET 104 CO 0.31 -1.83 0.62 0.00 -0.65 0.00 0.00 175.02 173.47 2vyr n ALA 105 N 8.00 2.59 0.04 4.11 0.00 -1.26 -4.62 120.51 129.38 2vyr n ALA 105 Ca -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 53.44 52.97 2vyr n ALA 105 Cb 0.46 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2vyr n ALA 105 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2vyr n SER 106 N 0.01 1.03 -3.59 0.00 3.41 -1.26 -3.40 113.62 109.81 2vyr n SER 106 Ca 0.04 -1.01 -0.16 0.00 -0.26 0.00 0.00 58.87 57.47 2vyr n SER 106 Cb 0.17 0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.11 2vyr n SER 106 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2vyr s LYS 107 N -0.15 0.91 0.84 4.33 2.20 -1.26 -5.00 119.74 121.61 2vyr s LYS 107 Ca 0.01 0.39 -0.13 0.00 -0.36 0.00 0.00 55.97 55.88 2vyr s LYS 107 Cb 0.01 0.43 0.10 0.00 -1.51 0.00 0.00 37.83 36.86 2vyr s LYS 107 CO 0.01 -0.24 1.20 0.20 -0.36 0.00 0.00 175.35 176.16 2vyr s GLY 108 N -0.75 1.61 0.14 5.54 0.00 -1.26 -5.00 107.32 107.60 2vyr s GLY 108 Ca -0.08 -0.72 -0.08 0.00 0.00 0.00 0.00 44.72 43.84 2vyr s GLY 108 CO 0.06 -0.18 0.23 -1.35 0.00 0.00 0.00 173.10 171.86 2vyr s SER 109 N -4.58 0.10 0.40 1.64 1.04 -1.26 -5.02 113.70 106.01 2vyr s SER 109 Ca 0.64 -0.84 0.29 0.00 0.48 0.00 0.00 55.95 56.51 2vyr s SER 109 Cb -0.10 0.39 1.25 0.00 0.10 0.00 0.00 66.02 67.66 2vyr s SER 109 CO 0.50 -0.82 1.85 1.05 0.98 0.00 0.00 173.24 176.80 2vyr h GLU 110 N 2.64 0.00 -0.06 4.02 4.11 -2.02 -2.79 114.58 120.48 2vyr h GLU 110 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 2vyr h GLU 110 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2vyr h GLU 110 CO 0.52 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.79 2vyr n PHE 111 N -2.60 0.05 -1.51 2.06 3.01 -1.26 -4.97 117.46 112.24 2vyr n PHE 111 Ca 0.01 -0.03 -0.33 0.00 1.01 0.00 0.00 57.45 58.11 2vyr n PHE 111 Cb 0.22 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.77 2vyr n PHE 111 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2vyr s ASP 112 N -1.94 4.51 -0.05 4.37 -0.00 -1.05 -4.56 116.67 117.94 2vyr s ASP 112 Ca 0.31 2.17 -0.09 0.00 -0.00 0.00 0.00 52.55 54.94 2vyr s ASP 112 Cb 0.20 -2.57 -0.05 0.00 -0.00 0.00 0.00 42.92 40.51 2vyr s ASP 112 CO 0.31 -2.04 0.26 -0.31 -0.00 0.00 0.00 175.17 173.38 2vyr s TYR 113 N -2.22 3.63 0.18 4.23 1.51 -0.92 -4.97 117.35 118.80 2vyr s TYR 113 Ca 0.70 0.68 0.07 0.00 -1.01 0.00 0.00 57.07 57.52 2vyr s TYR 113 Cb -0.25 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 2vyr s TYR 113 CO 0.45 0.68 -0.15 -1.58 -1.11 0.00 0.00 175.55 173.83 2vyr s TRP 114 N -1.12 1.67 0.58 2.71 0.51 -1.26 -1.27 118.94 120.76 2vyr s TRP 114 Ca 0.21 -0.55 -0.10 0.00 -2.12 0.00 0.00 56.10 53.54 2vyr s TRP 114 Cb -0.14 -0.81 0.13 0.00 -0.81 0.00 0.00 33.47 31.85 2vyr s TRP 114 CO 0.10 0.30 0.79 0.41 -0.51 0.00 0.00 176.95 178.05 2vyr n GLY 115 N -0.03 -1.29 0.18 0.98 0.00 -1.09 -4.79 105.19 99.15 2vyr n GLY 115 Ca -0.11 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.35 2vyr n GLY 115 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2vyr h GLN 116 N 0.00 0.00 0.00 1.61 4.20 -1.95 -3.47 115.11 115.50 2vyr h GLN 116 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2vyr h GLN 116 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2vyr h GLN 116 CO 0.18 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.75 2vyr n GLY 117 N 0.26 0.79 2.86 3.46 0.00 -1.26 -5.02 105.19 106.28 2vyr n GLY 117 Ca 0.02 -1.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 2vyr n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2vyr s THR 118 N -2.12 0.12 -0.01 2.61 -1.32 -0.47 -4.70 115.64 109.76 2vyr s THR 118 Ca 0.00 0.01 -0.22 0.00 -1.21 0.00 0.00 61.69 60.27 2vyr s THR 118 Cb 0.00 -0.16 -0.05 0.00 -1.51 0.00 0.00 72.50 70.78 2vyr s THR 118 CO 0.00 0.08 0.66 -0.76 -2.21 0.00 0.00 174.62 172.38 2vyr s LEU 119 N 0.41 4.40 -0.12 9.08 1.02 -1.26 -0.69 118.68 131.52 2vyr s LEU 119 Ca -0.04 1.23 0.03 0.00 0.02 0.00 0.00 54.13 55.38 2vyr s LEU 119 Cb -0.06 -3.03 0.01 0.00 0.02 0.00 0.00 46.19 43.12 2vyr s LEU 119 CO -0.01 0.03 -0.22 -0.69 0.02 0.00 0.00 176.35 175.48 2vyr s VAL 120 N 0.08 1.99 -0.12 -1.59 1.01 0.20 -1.09 120.40 120.87 2vyr s VAL 120 Ca 0.34 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2vyr s VAL 120 Cb -0.19 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.47 2vyr s VAL 120 CO 0.19 0.54 -0.13 -0.89 0.00 0.00 0.00 175.10 174.81 2vyr s THR 121 N 0.61 1.39 -0.27 3.92 2.01 0.23 -1.60 115.64 121.92 2vyr s THR 121 Ca -0.13 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.36 2vyr s THR 121 Cb -0.17 -1.31 0.07 0.00 0.01 0.00 0.00 72.50 71.10 2vyr s THR 121 CO 0.03 0.42 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.61 2vyr s VAL 122 N 1.32 2.13 0.08 3.82 1.01 -1.26 -1.18 120.40 126.32 2vyr s VAL 122 Ca -0.00 -1.71 -0.12 0.00 0.00 0.00 0.00 61.98 60.15 2vyr s VAL 122 Cb -0.14 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2vyr s VAL 122 CO -0.06 -0.12 0.26 -0.94 0.00 0.00 0.00 175.10 174.24 2vyr s SER 123 N 1.09 -0.03 0.00 3.32 1.04 -0.84 -4.26 113.70 114.03 2vyr s SER 123 Ca -0.06 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2vyr s SER 123 Cb -0.20 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2vyr s SER 123 CO -0.06 -0.70 0.00 -1.20 0.98 0.00 0.00 173.24 172.26