#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 2.79 -0.02 6.31 1.01 -1.26 -4.00 120.40 125.22 2vyr s VAL 2 Ca 0.00 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.44 2vyr s VAL 2 Cb 0.00 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.11 2vyr s VAL 2 CO 0.00 0.02 -0.02 -1.58 0.00 0.00 0.00 175.10 173.52 2vyr s GLN 3 N 1.77 0.42 -0.10 2.72 0.74 -0.04 -4.97 119.66 120.20 2vyr s GLN 3 Ca 0.72 -0.03 -0.02 0.00 0.05 0.00 0.00 55.36 56.08 2vyr s GLN 3 Cb -0.42 -0.51 0.04 0.00 1.10 0.00 0.00 33.01 33.21 2vyr s GLN 3 CO 0.32 -0.06 0.01 -0.51 -0.55 0.00 0.00 175.29 174.50 2vyr s LEU 4 N 0.67 0.75 -0.31 3.68 1.43 -1.26 -0.57 118.68 123.06 2vyr s LEU 4 Ca -0.07 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2vyr s LEU 4 Cb -0.10 -0.49 0.07 0.00 0.03 0.00 0.00 46.19 45.69 2vyr s LEU 4 CO -0.01 -0.22 0.01 -0.76 0.23 0.00 0.00 176.35 175.60 2vyr s LEU 5 N 1.94 4.13 0.31 1.79 1.43 -0.55 -4.08 118.68 123.64 2vyr s LEU 5 Ca 0.04 -1.57 -0.15 0.00 -1.03 0.00 0.00 54.13 51.41 2vyr s LEU 5 Cb -0.13 -1.67 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 2vyr s LEU 5 CO -0.06 -0.30 0.72 -1.61 0.23 0.00 0.00 176.35 175.33 2vyr s GLU 6 N 1.13 4.01 0.31 1.70 8.01 -1.26 -1.04 118.70 131.56 2vyr s GLU 6 Ca -0.01 0.66 -0.19 0.00 0.01 0.00 0.00 54.97 55.44 2vyr s GLU 6 Cb -0.20 -2.47 0.04 0.00 -4.31 0.00 0.00 34.13 27.19 2vyr s GLU 6 CO -0.04 0.18 0.78 -1.54 0.01 0.00 0.00 175.26 174.65 2vyr s SER 7 N -2.24 -0.13 0.00 -0.19 1.04 -0.43 -4.69 113.70 107.06 2vyr s SER 7 Ca 0.53 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2vyr s SER 7 Cb -0.11 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.77 2vyr s SER 7 CO 0.18 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 173.55 2vyr n GLY 8 N -0.50 0.49 3.79 7.32 0.00 -1.26 -0.84 105.19 114.20 2vyr n GLY 8 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.62 1.63 0.00 -0.02 0.00 -1.26 -4.50 107.32 101.55 2vyr s GLY 9 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.61 2vyr s GLY 9 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 173.10 174.01 2vyr n GLY 10 N -1.90 -0.85 2.97 0.20 0.00 0.21 -4.85 105.19 100.97 2vyr n GLY 10 Ca 0.07 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 1.43 0.07 0.99 0.20 -1.26 0.16 118.68 120.27 2vyr s LEU 11 Ca 0.00 -0.35 0.00 0.00 0.69 0.00 0.00 54.13 54.48 2vyr s LEU 11 Cb 0.00 -0.93 -0.04 0.00 -0.43 0.00 0.00 46.19 44.79 2vyr s LEU 11 CO 0.00 -0.06 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.26 2vyr s VAL 12 N 1.37 0.44 0.11 1.68 1.01 0.48 -4.95 120.40 120.54 2vyr s VAL 12 Ca -0.00 -1.76 -0.02 0.00 0.00 0.00 0.00 61.98 60.20 2vyr s VAL 12 Cb -0.14 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 2vyr s VAL 12 CO -0.05 -0.87 0.30 -1.10 0.00 0.00 0.00 175.10 173.37 2vyr s GLN 13 N -3.56 3.52 -0.62 2.72 -0.21 -1.26 0.69 119.66 120.94 2vyr s GLN 13 Ca 0.06 -0.28 -0.31 0.00 0.02 0.00 0.00 55.36 54.84 2vyr s GLN 13 Cb 0.04 -2.94 -0.14 0.00 1.00 0.00 0.00 33.01 30.97 2vyr s GLN 13 CO -0.06 0.53 2.43 -2.30 -2.12 0.00 0.00 175.29 173.77 2vyr n PRO 14 N 0.11 0.64 0.00 2.91 -0.02 -1.26 -0.45 135.00 136.93 2vyr n PRO 14 Ca -0.04 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2vyr n PRO 14 Cb 0.52 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 6.42 1.80 0.00 -1.23 0.00 0.94 -4.95 105.19 108.18 2vyr n GLY 15 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 -2.08 3.34 -0.02 0.00 0.41 -3.81 105.19 103.02 2vyr n GLY 16 Ca 0.00 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.42 -0.48 0.12 1.61 1.04 -1.26 -1.33 113.70 111.98 2vyr s SER 17 Ca 0.00 0.91 0.07 0.00 0.48 0.00 0.00 55.95 57.41 2vyr s SER 17 Cb 0.00 0.90 -0.04 0.00 0.10 0.00 0.00 66.02 66.99 2vyr s SER 17 CO 0.00 -0.16 -0.17 -0.76 0.98 0.00 0.00 173.24 173.13 2vyr s LEU 18 N 0.43 2.37 -0.27 2.42 1.43 -0.92 -5.02 118.68 119.11 2vyr s LEU 18 Ca -0.02 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.31 2vyr s LEU 18 Cb -0.04 -0.72 0.04 0.00 0.03 0.00 0.00 46.19 45.50 2vyr s LEU 18 CO -0.02 -0.05 -0.05 -0.60 0.23 0.00 0.00 176.35 175.87 2vyr s ARG 19 N -2.36 2.59 0.35 1.70 3.52 -1.26 -1.69 118.95 121.80 2vyr s ARG 19 Ca 0.09 -1.14 -0.16 0.00 -0.13 0.00 0.00 55.73 54.38 2vyr s ARG 19 Cb -0.07 -3.04 -0.09 0.00 -1.56 0.00 0.00 34.95 30.18 2vyr s ARG 19 CO 0.04 -0.51 0.78 -0.51 -0.81 0.00 0.00 175.30 174.30 2vyr s LEU 20 N 1.26 4.03 0.15 -0.88 1.43 -0.49 -4.56 118.68 119.62 2vyr s LEU 20 Ca -0.03 1.37 0.05 0.00 -1.03 0.00 0.00 54.13 54.48 2vyr s LEU 20 Cb -0.18 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 2vyr s LEU 20 CO -0.03 -0.24 -0.11 -0.44 0.23 0.00 0.00 176.35 175.76 2vyr s SER 21 N -2.27 1.86 -0.12 2.29 0.01 -0.02 -1.83 113.70 113.62 2vyr s SER 21 Ca 0.56 -1.00 -0.04 0.00 1.31 0.00 0.00 55.95 56.78 2vyr s SER 21 Cb -0.10 -0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.17 2vyr s SER 21 CO 0.17 -0.31 0.14 0.00 0.41 0.00 0.00 173.24 173.65 2vyr s ALA 23 N 2.24 3.35 -0.11 0.00 0.00 -0.21 -1.31 121.76 125.73 2vyr s ALA 23 Ca 0.04 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 50.59 2vyr s ALA 23 Cb -0.14 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2vyr s ALA 23 CO -0.07 -1.84 0.17 0.00 0.00 0.00 0.00 175.76 174.01 2vyr s ALA 24 N 2.79 3.86 0.30 0.00 0.00 -0.60 -1.49 121.76 126.61 2vyr s ALA 24 Ca 0.21 -0.60 -0.10 0.00 0.00 0.00 0.00 51.96 51.46 2vyr s ALA 24 Cb -0.15 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 20.96 2vyr s ALA 24 CO 0.17 0.60 0.53 -1.54 0.00 0.00 0.00 175.76 175.53 2vyr s SER 25 N -1.02 0.21 0.00 0.00 1.04 0.26 -4.85 113.70 109.35 2vyr s SER 25 Ca 0.16 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.47 2vyr s SER 25 Cb -0.12 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2vyr s SER 25 CO 0.05 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.60 2vyr n GLY 26 N -0.46 0.72 3.82 7.32 0.00 -1.26 -0.86 105.19 114.47 2vyr n GLY 26 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.66 -0.16 -1.00 1.61 -0.12 -1.26 -4.19 117.98 110.20 2vyr s PHE 27 Ca 0.00 -0.26 -0.21 0.00 -0.05 0.00 0.00 56.93 56.41 2vyr s PHE 27 Cb 0.00 0.69 0.09 0.00 -0.63 0.00 0.00 43.02 43.17 2vyr s PHE 27 CO 0.00 -1.11 1.33 0.99 -0.05 0.00 0.00 175.22 176.38 2vyr s THR 28 N -3.63 4.29 0.22 -4.49 2.01 -1.26 -4.87 115.64 107.91 2vyr s THR 28 Ca 0.12 -1.20 -0.08 0.00 0.31 0.00 0.00 61.69 60.84 2vyr s THR 28 Cb -0.04 -4.95 0.20 0.00 0.01 0.00 0.00 72.50 67.71 2vyr s THR 28 CO 0.06 -1.76 1.69 0.15 -0.69 0.00 0.00 174.62 174.07 2vyr h PHE 29 N 9.23 0.19 0.00 4.92 3.57 -1.94 -0.31 116.94 132.60 2vyr h PHE 29 Ca 0.20 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2vyr h PHE 29 Cb 1.01 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.76 2vyr h PHE 29 CO 1.23 -0.07 0.00 -0.85 -2.23 0.00 0.00 178.31 176.40 2vyr n GLU 30 N -5.16 0.12 0.07 1.11 0.00 -1.26 -1.41 120.64 114.11 2vyr n GLU 30 Ca 0.11 0.62 0.12 0.00 0.00 0.00 0.00 57.16 58.01 2vyr n GLU 30 Cb 0.38 -1.91 0.04 0.00 0.00 0.00 0.00 31.44 29.95 2vyr n GLU 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2vyr n GLU 31 N -2.16 0.45 -4.48 3.44 1.02 -0.13 -4.61 120.64 114.17 2vyr n GLU 31 Ca -0.01 0.07 -0.34 0.00 -0.02 0.00 0.00 57.16 56.86 2vyr n GLU 31 Cb 0.03 -1.72 -0.12 0.00 -0.02 0.00 0.00 31.44 29.62 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 -3.28 3.01 0.51 -0.32 1.51 -0.50 -4.80 117.35 113.48 2vyr s TYR 32 Ca 0.02 -0.14 -0.23 0.00 -1.01 0.00 0.00 57.07 55.71 2vyr s TYR 32 Cb 0.12 -1.86 -0.06 0.00 -0.11 0.00 0.00 41.96 40.05 2vyr s TYR 32 CO 0.78 0.14 1.40 0.00 -1.11 0.00 0.00 175.55 176.76 2vyr n ALA 33 N 2.94 1.80 -2.44 3.71 0.00 -0.20 -3.87 120.51 122.46 2vyr n ALA 33 Ca -0.18 0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.23 2vyr n ALA 33 Cb 0.53 -2.38 -0.11 0.00 0.00 0.00 0.00 19.45 17.49 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 -2.74 1.23 0.07 0.00 -1.94 -0.29 -4.29 119.30 111.35 2vyr s MET 34 Ca 0.68 -1.41 0.05 0.00 -1.71 0.00 0.00 55.69 53.30 2vyr s MET 34 Cb -0.43 -1.19 -0.03 0.00 2.01 0.00 0.00 34.83 35.19 2vyr s MET 34 CO 0.52 0.23 -0.15 -0.51 -0.01 0.00 0.00 175.02 175.10 2vyr s LEU 35 N -2.77 2.25 -0.13 -0.03 1.43 -0.75 -1.09 118.68 117.59 2vyr s LEU 35 Ca 0.16 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 2vyr s LEU 35 Cb -0.04 -0.58 -0.03 0.00 0.03 0.00 0.00 46.19 45.57 2vyr s LEU 35 CO 0.06 -0.03 -0.06 0.26 0.23 0.00 0.00 176.35 176.80 2vyr s TRP 36 N -1.14 2.96 0.12 0.29 0.52 -0.34 -0.73 118.94 120.61 2vyr s TRP 36 Ca -0.00 -0.29 0.04 0.00 0.02 0.00 0.00 56.10 55.87 2vyr s TRP 36 Cb -0.09 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 2vyr s TRP 36 CO 0.02 0.02 -0.10 0.08 0.02 0.00 0.00 176.95 176.99 2vyr s VAL 37 N 0.07 1.06 0.05 4.03 1.01 0.03 -1.27 120.40 125.37 2vyr s VAL 37 Ca -0.02 -1.84 -0.04 0.00 0.00 0.00 0.00 61.98 60.08 2vyr s VAL 37 Cb -0.14 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 2vyr s VAL 37 CO 0.03 -0.64 0.05 0.00 0.00 0.00 0.00 175.10 174.54 2vyr s ARG 38 N -3.25 0.60 -0.22 2.72 1.70 -0.16 0.21 118.95 120.55 2vyr s ARG 38 Ca 0.11 -0.93 -0.02 0.00 -0.47 0.00 0.00 55.73 54.42 2vyr s ARG 38 Cb -0.00 0.23 0.07 0.00 -0.57 0.00 0.00 34.95 34.67 2vyr s ARG 38 CO 0.00 -0.14 0.03 -1.14 -1.08 0.00 0.00 175.30 172.97 2vyr s GLN 39 N -3.11 0.82 0.34 3.89 0.74 0.38 -0.51 119.66 122.21 2vyr s GLN 39 Ca -0.01 -0.61 -0.05 0.00 0.05 0.00 0.00 55.36 54.75 2vyr s GLN 39 Cb 0.02 -2.17 -0.05 0.00 1.10 0.00 0.00 33.01 31.91 2vyr s GLN 39 CO -0.07 -0.68 0.61 0.00 -0.55 0.00 0.00 175.29 174.60 2vyr s ALA 40 N 1.75 3.57 0.22 1.58 0.00 -1.26 -0.51 121.76 127.10 2vyr s ALA 40 Ca -0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 51.96 51.10 2vyr s ALA 40 Cb -0.17 -2.36 -0.15 0.00 0.00 0.00 0.00 23.12 20.43 2vyr s ALA 40 CO -0.10 0.09 1.02 -2.30 0.00 0.00 0.00 175.76 174.47 2vyr n PRO 41 N -1.28 1.06 -0.13 0.00 -0.02 -1.26 -1.79 135.00 131.57 2vyr n PRO 41 Ca -0.01 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2vyr n PRO 41 Cb 0.54 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 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 1.70 2.74 3.42 -1.23 0.00 -1.26 -4.98 105.19 105.57 2vyr n GLY 42 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.00 1.51 0.00 1.61 1.02 -0.74 -5.15 119.74 117.99 2vyr s LYS 43 Ca 0.00 -1.58 0.00 0.00 0.02 0.00 0.00 55.97 54.41 2vyr s LYS 43 Cb 0.00 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.62 2vyr s LYS 43 CO 0.00 0.35 0.00 0.41 -0.92 0.00 0.00 175.35 175.19 2vyr n GLY 44 N -0.01 -1.83 3.70 -3.33 0.00 -1.26 -4.46 105.19 97.99 2vyr n GLY 44 Ca -0.10 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 2vyr n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vyr s LEU 45 N 0.00 4.32 -0.20 0.99 1.43 -1.26 -4.50 118.68 119.46 2vyr s LEU 45 Ca 0.00 1.96 -0.06 0.00 -1.03 0.00 0.00 54.13 55.00 2vyr s LEU 45 Cb 0.00 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 2vyr s LEU 45 CO 0.00 -0.57 0.04 -0.70 0.23 0.00 0.00 176.35 175.35 2vyr s GLU 46 N 1.79 3.77 0.17 1.70 2.12 0.34 -4.94 118.70 123.64 2vyr s GLU 46 Ca 0.59 -0.44 -0.31 0.00 0.36 0.00 0.00 54.97 55.17 2vyr s GLU 46 Cb -0.28 -3.18 -0.09 0.00 0.26 0.00 0.00 34.13 30.83 2vyr s GLU 46 CO 0.26 0.08 1.48 -0.46 -0.54 0.00 0.00 175.26 176.08 2vyr s TRP 47 N 0.86 3.12 -0.14 5.30 -0.00 -1.26 -0.99 118.94 125.83 2vyr s TRP 47 Ca 0.02 0.82 -0.10 0.00 -0.00 0.00 0.00 56.10 56.85 2vyr s TRP 47 Cb -0.14 -3.82 -0.06 0.00 -0.00 0.00 0.00 33.47 29.45 2vyr s TRP 47 CO 0.02 -2.91 -0.23 0.28 -0.00 0.00 0.00 176.95 174.12 2vyr n VAL 48 N 3.59 1.16 -3.89 5.86 0.31 -0.40 -4.62 118.33 120.35 2vyr n VAL 48 Ca 0.11 -0.05 -0.08 0.00 -0.01 0.00 0.00 64.34 64.30 2vyr n VAL 48 Cb 0.40 -1.88 -0.01 0.00 -0.91 0.00 0.00 33.84 31.43 2vyr n VAL 48 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2vyr s SER 49 N -6.35 -0.06 0.09 4.52 1.04 -1.09 -1.21 113.70 110.64 2vyr s SER 49 Ca -0.23 -0.90 -0.14 0.00 0.48 0.00 0.00 55.95 55.17 2vyr s SER 49 Cb 0.07 0.74 0.02 0.00 0.10 0.00 0.00 66.02 66.95 2vyr s SER 49 CO 0.30 -1.41 0.32 -0.83 0.98 0.00 0.00 173.24 172.60 2vyr s GLY 50 N -3.01 -0.14 -0.02 7.32 0.00 -0.51 -1.20 107.32 109.77 2vyr s GLY 50 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.70 2vyr s GLY 50 CO 0.10 -0.40 0.04 -1.50 0.00 0.00 0.00 173.10 171.34 2vyr s ILE 51 N -3.45 -0.02 1.03 0.90 2.07 -0.25 -0.94 121.20 120.55 2vyr s ILE 51 Ca 0.01 0.06 -0.12 0.00 -1.41 0.00 0.00 60.65 59.19 2vyr s ILE 51 Cb 0.02 -0.07 0.21 0.00 0.13 0.00 0.00 42.46 42.75 2vyr s ILE 51 CO -0.09 0.03 1.08 0.54 -1.91 0.00 0.00 174.94 174.58 2vyr s ASN 52 N 0.34 2.27 0.20 4.50 2.20 -0.25 -1.13 114.94 123.07 2vyr s ASN 52 Ca -0.03 1.30 -0.11 0.00 -0.94 0.00 0.00 52.86 53.09 2vyr s ASN 52 Cb -0.04 -2.00 0.20 0.00 -2.00 0.00 0.00 41.25 37.42 2vyr s ASN 52 CO -0.01 -3.37 1.79 0.00 -2.94 0.00 0.00 177.10 172.57 2vyr h ALA 53 N -2.06 0.77 -0.06 3.54 0.00 -1.87 -2.57 119.26 117.01 2vyr h ALA 53 Ca -0.56 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.22 2vyr h ALA 53 Cb 1.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2vyr h ALA 53 CO 0.55 -0.05 -0.69 0.00 0.00 0.00 0.00 179.25 179.06 2vyr h ARG 54 N 0.56 0.27 0.00 0.00 3.08 -1.88 -3.46 114.38 112.95 2vyr h ARG 54 Ca 0.27 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2vyr h ARG 54 Cb 0.19 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2vyr h ARG 54 CO -0.19 0.86 0.00 0.41 -1.07 0.00 0.00 179.97 179.98 2vyr n GLY 55 N 0.46 1.07 0.07 0.04 0.00 -0.97 -4.99 105.19 100.87 2vyr n GLY 55 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.42 0.54 -4.93 1.61 0.18 -1.26 -4.88 117.16 106.99 2vyr n TYR 56 Ca 0.00 0.16 -0.33 0.00 1.88 0.00 0.00 57.90 59.61 2vyr n TYR 56 Cb 0.00 -0.76 -0.15 0.00 -0.38 0.00 0.00 39.34 38.06 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 -3.43 2.79 0.07 -3.48 2.01 -1.26 -5.04 115.64 107.30 2vyr s THR 57 Ca -0.04 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.21 2vyr s THR 57 Cb 0.12 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 2vyr s THR 57 CO 0.84 0.55 -0.10 0.42 -0.69 0.00 0.00 174.62 175.65 2vyr s THR 58 N -0.00 0.80 0.06 -0.82 -4.23 -1.26 -1.09 115.64 109.10 2vyr s THR 58 Ca -0.05 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.07 2vyr s THR 58 Cb -0.14 -1.08 -0.03 0.00 1.34 0.00 0.00 72.50 72.59 2vyr s THR 58 CO 0.04 -0.47 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.26 2vyr s TYR 59 N -1.99 0.81 -0.03 3.99 1.51 -0.11 -4.98 117.35 116.55 2vyr s TYR 59 Ca -0.01 -0.60 -0.11 0.00 -1.01 0.00 0.00 57.07 55.35 2vyr s TYR 59 Cb -0.06 -0.47 0.02 0.00 -0.11 0.00 0.00 41.96 41.34 2vyr s TYR 59 CO 0.00 -0.07 0.24 0.71 -1.11 0.00 0.00 175.55 175.32 2vyr s TYR 60 N -1.95 -0.13 0.56 2.71 1.51 -1.26 -1.42 117.35 117.37 2vyr s TYR 60 Ca -0.03 0.25 -0.18 0.00 -1.01 0.00 0.00 57.07 56.09 2vyr s TYR 60 Cb -0.06 0.05 -0.05 0.00 -0.11 0.00 0.00 41.96 41.79 2vyr s TYR 60 CO -0.01 -0.29 1.10 0.00 -1.11 0.00 0.00 175.55 175.25 2vyr s ALA 61 N -0.96 2.69 0.20 3.71 0.00 -0.35 -4.86 121.76 122.19 2vyr s ALA 61 Ca -0.10 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 52.45 2vyr s ALA 61 Cb -0.05 -3.32 0.12 0.00 0.00 0.00 0.00 23.12 19.87 2vyr s ALA 61 CO 0.02 -0.78 1.72 -0.44 0.00 0.00 0.00 175.76 176.29 2vyr h ASP 62 N 0.97 1.07 0.00 0.00 3.32 -1.95 0.85 116.42 120.68 2vyr h ASP 62 Ca -0.49 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.34 2vyr h ASP 62 Cb 1.25 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2vyr h ASP 62 CO 0.57 1.01 0.01 -1.54 -1.72 0.00 0.00 179.24 177.57 2vyr n SER 63 N -4.26 0.21 0.00 6.45 3.41 -1.26 -1.74 113.62 116.43 2vyr n SER 63 Ca 0.05 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2vyr n SER 63 Cb 0.24 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 2vyr n SER 63 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2vyr n VAL 64 N -1.78 0.00 -1.92 -3.33 3.14 -0.78 -5.07 118.33 108.59 2vyr n VAL 64 Ca -0.01 -0.30 -0.40 0.00 -2.96 0.00 0.00 64.34 60.68 2vyr n VAL 64 Cb 0.03 1.28 0.01 0.00 -1.06 0.00 0.00 33.84 34.09 2vyr n VAL 64 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2vyr s LYS 65 N -0.18 3.80 -1.28 1.45 2.20 0.22 -2.57 119.74 123.39 2vyr s LYS 65 Ca 0.00 2.29 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 2vyr s LYS 65 Cb 0.00 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 2vyr s LYS 65 CO 0.00 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 2vyr n GLY 66 N 0.62 1.24 0.78 5.54 0.00 -1.26 -4.75 105.19 107.36 2vyr n GLY 66 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2vyr n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2vyr n ARG 67 N -2.62 0.00 -3.69 1.61 0.63 -1.10 -5.08 116.66 106.41 2vyr n ARG 67 Ca -0.12 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.48 2vyr n ARG 67 Cb 0.41 -0.35 -0.05 0.00 0.45 0.00 0.00 32.46 32.93 2vyr n ARG 67 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2vyr s PHE 68 N -1.48 3.50 -0.16 -0.14 0.40 -1.06 -2.88 117.98 116.16 2vyr s PHE 68 Ca 0.00 0.56 -0.01 0.00 -0.60 0.00 0.00 56.93 56.88 2vyr s PHE 68 Cb 0.00 -2.00 0.04 0.00 0.51 0.00 0.00 43.02 41.57 2vyr s PHE 68 CO 0.00 0.48 -0.04 0.99 0.70 0.00 0.00 175.22 177.34 2vyr s THR 69 N -1.58 1.02 0.21 0.64 2.01 0.43 -4.94 115.64 113.43 2vyr s THR 69 Ca 0.38 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.70 2vyr s THR 69 Cb -0.13 -1.22 -0.07 0.00 0.01 0.00 0.00 72.50 71.10 2vyr s THR 69 CO 0.23 0.12 0.55 -0.51 -0.69 0.00 0.00 174.62 174.32 2vyr s ILE 70 N 1.67 4.90 0.20 1.82 2.07 -1.26 0.54 121.20 131.15 2vyr s ILE 70 Ca 0.01 0.59 -0.23 0.00 -1.41 0.00 0.00 60.65 59.61 2vyr s ILE 70 Cb -0.15 -3.65 0.05 0.00 0.13 0.00 0.00 42.46 38.83 2vyr s ILE 70 CO -0.08 0.02 0.81 -0.94 -1.91 0.00 0.00 174.94 172.85 2vyr s SER 71 N -2.17 -0.26 0.03 4.50 1.04 -0.93 -4.97 113.70 110.94 2vyr s SER 71 Ca 0.45 -0.44 -0.10 0.00 0.48 0.00 0.00 55.95 56.34 2vyr s SER 71 Cb -0.12 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.61 2vyr s SER 71 CO 0.20 -1.10 0.20 0.00 0.98 0.00 0.00 173.24 173.52 2vyr s ARG 72 N -3.61 0.65 -0.38 4.02 1.70 -1.26 0.06 118.95 120.12 2vyr s ARG 72 Ca 0.10 -0.54 0.03 0.00 -0.47 0.00 0.00 55.73 54.85 2vyr s ARG 72 Cb -0.03 0.27 0.11 0.00 -0.57 0.00 0.00 34.95 34.73 2vyr s ARG 72 CO 0.03 -0.18 0.12 0.34 -1.08 0.00 0.00 175.30 174.53 2vyr s ASP 73 N -1.87 4.43 0.48 -2.89 3.68 -0.33 -4.99 116.67 115.17 2vyr s ASP 73 Ca -0.08 -2.30 0.20 0.00 2.13 0.00 0.00 52.55 52.50 2vyr s ASP 73 Cb -0.03 -1.44 1.20 0.00 -1.45 0.00 0.00 42.92 41.21 2vyr s ASP 73 CO -0.02 -0.34 2.04 0.78 0.13 0.00 0.00 175.17 177.75 2vyr h ASN 74 N 7.36 0.00 0.33 -0.34 2.35 -1.95 0.24 115.58 123.58 2vyr h ASN 74 Ca -0.06 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 2vyr h ASN 74 Cb 0.98 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 2vyr h ASN 74 CO 0.54 0.15 -0.26 0.77 -1.65 0.00 0.00 177.43 176.98 2vyr h SER 75 N 0.00 0.00 -0.35 5.81 4.64 -1.96 -2.85 113.55 118.84 2vyr h SER 75 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vyr h SER 75 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2vyr h SER 75 CO 0.02 0.26 0.00 1.17 -0.87 0.00 0.00 176.83 177.41 2vyr n LYS 76 N -4.05 2.28 -4.01 4.77 4.81 -0.05 -4.98 118.16 116.93 2vyr n LYS 76 Ca -0.02 -2.08 -0.27 0.00 -0.87 0.00 0.00 58.31 55.07 2vyr n LYS 76 Cb 0.33 -1.41 -0.03 0.00 0.02 0.00 0.00 35.03 33.94 2vyr n LYS 76 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2vyr n ASN 77 N 1.12 -0.61 -3.91 3.14 5.03 -0.49 -4.85 115.26 114.69 2vyr n ASN 77 Ca 0.16 -1.02 -0.15 0.00 0.87 0.00 0.00 54.58 54.43 2vyr n ASN 77 Cb 0.51 -2.93 -0.15 0.00 -1.02 0.00 0.00 39.78 36.19 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 -3.91 0.26 0.04 3.41 2.01 -1.10 -1.56 115.64 114.78 2vyr s THR 78 Ca 0.10 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.01 2vyr s THR 78 Cb -0.05 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 2vyr s THR 78 CO 0.90 0.09 0.04 -0.22 -0.69 0.00 0.00 174.62 174.74 2vyr s LEU 79 N 0.12 3.67 0.13 4.42 2.96 -0.43 -1.19 118.68 128.36 2vyr s LEU 79 Ca -0.01 -0.00 0.06 0.00 -0.22 0.00 0.00 54.13 53.96 2vyr s LEU 79 Cb -0.04 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 2vyr s LEU 79 CO -0.00 0.23 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.82 2vyr s TYR 80 N -1.23 1.38 -0.10 5.38 1.51 0.11 -0.60 117.35 123.79 2vyr s TYR 80 Ca 0.24 -0.60 -0.03 0.00 -1.01 0.00 0.00 57.07 55.67 2vyr s TYR 80 Cb -0.12 -0.71 0.04 0.00 -0.11 0.00 0.00 41.96 41.07 2vyr s TYR 80 CO 0.16 0.14 0.08 -1.17 -1.11 0.00 0.00 175.55 173.65 2vyr s LEU 81 N -2.67 0.19 -0.47 -1.29 2.96 -0.76 -2.20 118.68 114.45 2vyr s LEU 81 Ca 0.11 -0.17 -0.19 0.00 -0.22 0.00 0.00 54.13 53.66 2vyr s LEU 81 Cb -0.03 -0.13 0.04 0.00 0.50 0.00 0.00 46.19 46.57 2vyr s LEU 81 CO 0.03 -0.29 0.58 -1.58 -1.32 0.00 0.00 176.35 173.77 2vyr s GLN 82 N 2.17 3.15 -0.50 1.98 2.00 0.19 -1.40 119.66 127.25 2vyr s GLN 82 Ca 0.04 -0.75 -0.15 0.00 -2.00 0.00 0.00 55.36 52.50 2vyr s GLN 82 Cb -0.14 -4.03 0.10 0.00 0.80 0.00 0.00 33.01 29.74 2vyr s GLN 82 CO -0.06 -1.08 0.43 -1.64 -0.50 0.00 0.00 175.29 172.45 2vyr s MET 83 N 2.53 2.92 0.34 1.67 -1.94 -0.68 -0.43 119.30 123.72 2vyr s MET 83 Ca 0.16 -1.56 0.07 0.00 -1.71 0.00 0.00 55.69 52.65 2vyr s MET 83 Cb -0.18 -4.17 -0.02 0.00 2.01 0.00 0.00 34.83 32.47 2vyr s MET 83 CO 0.14 -1.18 0.34 -0.80 -0.01 0.00 0.00 175.02 173.51 2vyr s ASN 84 N 3.05 5.44 -1.41 3.03 0.02 -1.14 -2.17 114.94 121.76 2vyr s ASN 84 Ca 0.04 -0.43 -0.04 0.00 -1.02 0.00 0.00 52.86 51.41 2vyr s ASN 84 Cb -0.27 -1.02 0.01 0.00 0.02 0.00 0.00 41.25 39.98 2vyr s ASN 84 CO 0.04 -0.38 0.07 -1.54 0.02 0.00 0.00 177.10 175.31 2vyr n SER 85 N -1.44 0.37 -4.59 -1.22 3.41 -1.13 -4.75 113.62 104.26 2vyr n SER 85 Ca -0.01 -1.19 -0.40 0.00 -0.26 0.00 0.00 58.87 57.01 2vyr n SER 85 Cb 0.59 -1.48 0.03 0.00 -0.26 0.00 0.00 64.21 63.10 2vyr n SER 85 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2vyr n LEU 86 N -4.39 2.74 -4.62 1.04 4.77 -0.44 -4.57 117.00 111.53 2vyr n LEU 86 Ca -0.28 0.91 -0.24 0.00 -0.03 0.00 0.00 56.01 56.36 2vyr n LEU 86 Cb 0.64 -1.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.30 2vyr n LEU 86 CO 0.78 -1.85 -0.32 -0.60 -1.33 0.00 0.00 177.39 174.07 2vyr s ARG 87 N -2.30 2.06 0.38 3.23 6.06 -1.26 -0.04 118.95 127.09 2vyr s ARG 87 Ca 0.69 -1.72 0.08 0.00 -2.50 0.00 0.00 55.73 52.27 2vyr s ARG 87 Cb -0.49 -1.93 0.74 0.00 0.06 0.00 0.00 34.95 33.33 2vyr s ARG 87 CO 0.53 0.17 1.92 1.15 -2.50 0.00 0.00 175.30 176.57 2vyr h THR 88 N 1.85 1.17 0.00 4.11 2.02 -1.96 -2.34 112.91 117.76 2vyr h THR 88 Ca -0.43 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.04 2vyr h THR 88 Cb 1.25 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2vyr h THR 88 CO 0.66 0.23 0.00 -0.62 0.37 0.00 0.00 175.52 176.16 2vyr n GLU 89 N -4.30 0.06 0.00 6.66 1.02 -1.26 -2.30 120.64 120.52 2vyr n GLU 89 Ca 0.00 0.44 0.11 0.00 -0.02 0.00 0.00 57.16 57.70 2vyr n GLU 89 Cb 0.24 -1.65 0.07 0.00 -0.02 0.00 0.00 31.44 30.07 2vyr n GLU 89 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2vyr n ASP 90 N -1.77 1.31 -4.69 1.62 10.43 -0.88 -4.90 116.55 117.67 2vyr n ASP 90 Ca 0.01 -1.06 -0.42 0.00 2.57 0.00 0.00 54.79 55.89 2vyr n ASP 90 Cb 0.09 0.54 -0.03 0.00 1.84 0.00 0.00 41.12 43.57 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 -0.81 0.44 -3.68 -3.53 -1.04 -0.97 -4.90 114.28 99.79 2vyr n THR 91 Ca 0.08 -0.08 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 2vyr n THR 91 Cb 0.38 -2.18 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 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 3.03 -2.57 -0.23 2.41 0.00 -0.75 -4.54 121.76 119.12 2vyr s ALA 92 Ca 0.83 0.75 -0.19 0.00 0.00 0.00 0.00 51.96 53.35 2vyr s ALA 92 Cb -0.46 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2vyr s ALA 92 CO 0.38 -1.09 0.53 0.08 0.00 0.00 0.00 175.76 175.66 2vyr s VAL 93 N -2.04 5.08 -0.16 0.00 1.01 0.34 -1.13 120.40 123.49 2vyr s VAL 93 Ca 0.19 0.96 -0.08 0.00 0.00 0.00 0.00 61.98 63.05 2vyr s VAL 93 Cb 0.06 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2vyr s VAL 93 CO -0.06 0.13 0.12 -0.31 0.00 0.00 0.00 175.10 174.98 2vyr s TYR 94 N 1.98 3.45 -0.03 5.22 1.51 0.84 -0.47 117.35 129.84 2vyr s TYR 94 Ca 0.23 0.36 0.06 0.00 -1.01 0.00 0.00 57.07 56.72 2vyr s TYR 94 Cb -0.15 -2.05 -0.01 0.00 -0.11 0.00 0.00 41.96 39.63 2vyr s TYR 94 CO 0.09 0.44 -0.22 0.71 -1.11 0.00 0.00 175.55 175.46 2vyr s TYR 95 N -0.19 2.02 0.03 2.71 1.51 0.13 -0.87 117.35 122.69 2vyr s TYR 95 Ca 0.10 -0.44 -0.26 0.00 -1.01 0.00 0.00 57.07 55.46 2vyr s TYR 95 Cb -0.12 -1.31 -0.05 0.00 -0.11 0.00 0.00 41.96 40.38 2vyr s TYR 95 CO 0.01 -0.08 0.82 0.00 -1.11 0.00 0.00 175.55 175.19 2vyr s ALA 97 N 0.30 1.11 -0.28 0.00 0.00 0.09 -2.95 121.76 120.03 2vyr s ALA 97 Ca 0.42 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.82 2vyr s ALA 97 Cb -0.20 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2vyr s ALA 97 CO 0.24 0.15 0.38 0.21 0.00 0.00 0.00 175.76 176.74 2vyr s LYS 98 N 0.34 3.93 0.32 0.00 2.20 0.01 -1.81 119.74 124.73 2vyr s LYS 98 Ca -0.07 -0.04 -0.27 0.00 -0.36 0.00 0.00 55.97 55.23 2vyr s LYS 98 Cb -0.12 -3.68 -0.09 0.00 -1.51 0.00 0.00 37.83 32.42 2vyr s LYS 98 CO 0.02 -0.33 1.03 -1.25 -0.36 0.00 0.00 175.35 174.46 2vyr s PRO 99 N 2.08 4.51 0.39 4.03 0.05 -1.26 -2.18 135.00 142.62 2vyr s PRO 99 Ca 0.15 1.57 0.07 0.00 0.05 0.00 0.00 61.00 62.84 2vyr s PRO 99 Cb -0.16 -2.92 0.80 0.00 0.05 0.00 0.00 34.50 32.27 2vyr s PRO 99 CO 0.10 0.15 1.99 0.11 0.05 0.00 0.00 177.00 179.41 2vyr h TRP 100 N 3.31 0.45 -3.63 0.56 5.08 -1.95 -3.39 115.95 116.38 2vyr h TRP 100 Ca -0.47 -0.01 -0.65 0.00 1.08 0.00 0.00 58.89 58.83 2vyr h TRP 100 Cb 1.21 -0.14 -0.16 0.00 -3.00 0.00 0.00 29.16 27.06 2vyr h TRP 100 CO 0.59 0.37 -0.16 -0.47 -1.28 0.00 0.00 178.44 177.50 2vyr s TYR 101 N -5.21 3.20 0.60 0.12 5.04 -1.26 -4.97 117.35 114.88 2vyr s TYR 101 Ca -0.07 0.10 0.29 0.00 -2.44 0.00 0.00 57.07 54.95 2vyr s TYR 101 Cb 0.17 -2.80 1.58 0.00 0.35 0.00 0.00 41.96 41.26 2vyr s TYR 101 CO 0.74 -0.48 1.98 -1.35 -1.34 0.00 0.00 175.55 175.09 2vyr h PRO 102 N 8.44 0.00 -0.36 4.97 0.11 -1.90 -1.50 132.00 141.76 2vyr h PRO 102 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2vyr h PRO 102 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2vyr h PRO 102 CO 0.73 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.71 2vyr n PHE 103 N -3.59 0.47 -2.82 0.65 3.01 -1.26 -1.03 117.46 112.89 2vyr n PHE 103 Ca 0.04 -0.31 -0.43 0.00 1.01 0.00 0.00 57.45 57.76 2vyr n PHE 103 Cb 0.49 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.92 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 -1.18 3.22 0.00 -1.08 1.75 -0.57 -4.79 119.30 116.65 2vyr s MET 104 Ca 0.31 -0.51 0.02 0.00 -1.25 0.00 0.00 55.69 54.26 2vyr s MET 104 Cb 0.18 -4.14 -0.00 0.00 2.84 0.00 0.00 34.83 33.70 2vyr s MET 104 CO 0.24 -1.69 0.28 0.00 -0.65 0.00 0.00 175.02 173.19 2vyr n ALA 105 N 7.76 2.33 0.87 4.11 0.00 -1.26 -4.67 120.51 129.65 2vyr n ALA 105 Ca -0.01 -0.24 0.10 0.00 0.00 0.00 0.00 53.44 53.29 2vyr n ALA 105 Cb 0.47 -0.06 0.04 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.55 2.26 -3.59 0.00 3.41 -1.26 -3.56 113.62 110.32 2vyr n SER 106 Ca 0.01 -1.63 -0.07 0.00 -0.26 0.00 0.00 58.87 56.91 2vyr n SER 106 Cb 0.03 0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.99 0.42 0.81 4.33 2.20 -1.26 -5.00 119.74 119.25 2vyr s LYS 107 Ca 0.20 0.05 -0.04 0.00 -0.36 0.00 0.00 55.97 55.82 2vyr s LYS 107 Cb 0.16 0.20 0.17 0.00 -1.51 0.00 0.00 37.83 36.85 2vyr s LYS 107 CO 0.39 -0.14 1.10 0.41 -0.36 0.00 0.00 175.35 176.75 2vyr n GLY 108 N 0.52 0.15 3.48 5.54 0.00 -1.26 -4.99 105.19 108.63 2vyr n GLY 108 Ca -0.06 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 43.89 2vyr n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vyr s SER 109 N -5.36 -0.52 0.30 1.61 1.04 -1.26 -5.04 113.70 104.47 2vyr s SER 109 Ca 0.70 -0.09 0.24 0.00 0.48 0.00 0.00 55.95 57.29 2vyr s SER 109 Cb -0.03 0.62 1.07 0.00 0.10 0.00 0.00 66.02 67.78 2vyr s SER 109 CO 0.47 -1.02 1.73 1.05 0.98 0.00 0.00 173.24 176.45 2vyr h GLU 110 N 2.00 0.00 -0.06 4.02 4.11 -2.02 -2.52 114.58 120.11 2vyr h GLU 110 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 2vyr h GLU 110 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2vyr h GLU 110 CO 0.36 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.63 2vyr n PHE 111 N -2.31 0.05 -2.25 2.06 3.01 -1.26 -4.95 117.46 111.81 2vyr n PHE 111 Ca 0.01 -0.02 -0.33 0.00 1.01 0.00 0.00 57.45 58.12 2vyr n PHE 111 Cb 0.19 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.65 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 -1.93 6.07 0.11 4.37 -0.00 -0.95 -4.54 116.67 119.80 2vyr s ASP 112 Ca 0.34 1.82 -0.21 0.00 -0.00 0.00 0.00 52.55 54.50 2vyr s ASP 112 Cb 0.20 -2.54 -0.07 0.00 -0.00 0.00 0.00 42.92 40.51 2vyr s ASP 112 CO 0.32 -0.97 0.64 -0.31 -0.00 0.00 0.00 175.17 174.85 2vyr s TYR 113 N -2.33 3.83 0.17 4.23 1.51 -0.93 -4.95 117.35 118.88 2vyr s TYR 113 Ca 0.64 1.39 0.02 0.00 -1.01 0.00 0.00 57.07 58.11 2vyr s TYR 113 Cb -0.15 -2.59 -0.05 0.00 -0.11 0.00 0.00 41.96 39.06 2vyr s TYR 113 CO 0.31 0.55 -0.01 1.67 -1.11 0.00 0.00 175.55 176.96 2vyr s TRP 114 N -1.16 1.22 0.00 2.71 -2.14 -1.26 -0.81 118.94 117.50 2vyr s TRP 114 Ca 0.32 -1.00 0.00 0.00 2.66 0.00 0.00 56.10 58.08 2vyr s TRP 114 Cb -0.20 -0.69 0.00 0.00 -3.10 0.00 0.00 33.47 29.47 2vyr s TRP 114 CO 0.21 -0.19 0.00 0.41 -2.66 0.00 0.00 176.95 174.73 2vyr n GLY 115 N -0.24 0.44 0.09 3.67 0.00 -1.15 -4.85 105.19 103.15 2vyr n GLY 115 Ca -0.07 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.21 2vyr n GLY 115 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2vyr n GLN 116 N -0.67 0.24 0.00 1.61 6.02 -1.26 -4.92 117.38 118.40 2vyr n GLN 116 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2vyr n GLN 116 Cb 0.00 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.49 2vyr n GLN 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2vyr n GLY 117 N 1.33 0.51 3.01 1.08 0.00 -1.26 -5.03 105.19 104.82 2vyr n GLY 117 Ca 0.06 -1.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.14 0.60 -0.19 2.61 -1.32 -0.05 -4.69 115.64 110.48 2vyr s THR 118 Ca 0.00 -0.46 -0.15 0.00 -1.21 0.00 0.00 61.69 59.87 2vyr s THR 118 Cb 0.00 -0.53 -0.04 0.00 -1.51 0.00 0.00 72.50 70.41 2vyr s THR 118 CO 0.00 0.08 0.35 -0.76 -2.21 0.00 0.00 174.62 172.08 2vyr s LEU 119 N -0.42 4.18 -0.12 9.08 1.43 -1.26 -0.11 118.68 131.46 2vyr s LEU 119 Ca 0.01 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 2vyr s LEU 119 Cb -0.04 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 2vyr s LEU 119 CO -0.00 -0.01 -0.16 -0.69 0.23 0.00 0.00 176.35 175.72 2vyr s VAL 120 N 1.01 2.77 -0.12 -1.59 1.01 -0.28 -0.62 120.40 122.58 2vyr s VAL 120 Ca 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2vyr s VAL 120 Cb -0.14 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.12 2vyr s VAL 120 CO 0.07 0.54 -0.11 -0.89 0.00 0.00 0.00 175.10 174.70 2vyr s THR 121 N 0.32 1.28 -0.23 3.92 2.01 0.12 -1.81 115.64 121.25 2vyr s THR 121 Ca -0.13 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.42 2vyr s THR 121 Cb -0.16 -1.24 0.03 0.00 0.01 0.00 0.00 72.50 71.14 2vyr s THR 121 CO 0.06 0.41 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.60 2vyr s VAL 122 N 1.52 2.49 0.00 3.82 1.01 -1.23 0.18 120.40 128.19 2vyr s VAL 122 Ca 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.86 2vyr s VAL 122 Cb -0.13 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.99 2vyr s VAL 122 CO -0.08 0.23 0.00 -1.54 0.00 0.00 0.00 175.10 173.71