#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yro s SER 2 N 0.00 6.42 0.23 1.61 0.01 -1.26 -4.92 113.70 115.79 2yro s SER 2 Ca 0.00 -1.83 -0.10 0.00 1.31 0.00 0.00 55.95 55.33 2yro s SER 2 Cb 0.00 -2.32 0.34 0.00 0.21 0.00 0.00 66.02 64.25 2yro s SER 2 CO 0.00 -1.01 1.39 -1.20 0.41 0.00 0.00 173.24 172.83 2yro n SER 3 N 5.99 -0.42 -3.33 2.44 7.64 -1.26 -4.85 113.62 119.83 2yro n SER 3 Ca 0.04 1.55 -0.30 0.00 1.01 0.00 0.00 58.87 61.17 2yro n SER 3 Cb 0.45 -0.42 0.03 0.00 -1.01 0.00 0.00 64.21 63.26 2yro n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yro n GLY 4 N -1.51 -0.25 3.57 0.23 0.00 -1.26 -4.91 105.19 101.06 2yro n GLY 4 Ca 0.12 1.14 -0.40 0.00 0.00 0.00 0.00 46.02 46.88 2yro n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yro s SER 5 N -1.73 6.25 0.04 1.61 0.01 -1.26 -5.06 113.70 113.57 2yro s SER 5 Ca 0.34 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.60 2yro s SER 5 Cb -0.05 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 2yro s SER 5 CO 0.82 -0.35 -0.06 -0.44 0.41 0.00 0.00 173.24 173.63 2yro s SER 6 N 1.71 0.68 -0.32 2.44 0.01 -1.26 -5.13 113.70 111.83 2yro s SER 6 Ca 0.15 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 56.81 2yro s SER 6 Cb -0.16 0.08 0.19 0.00 0.21 0.00 0.00 66.02 66.34 2yro s SER 6 CO 0.12 -0.31 0.67 -0.83 0.41 0.00 0.00 173.24 173.30 2yro s GLY 7 N -1.89 -1.25 0.78 3.44 0.00 -1.26 -5.09 107.32 102.06 2yro s GLY 7 Ca -0.07 0.97 -0.11 0.00 0.00 0.00 0.00 44.72 45.52 2yro s GLY 7 CO -0.02 3.75 1.09 2.56 0.00 0.00 0.00 173.10 180.49 2yro s PRO 8 N 2.57 2.17 -0.28 2.90 0.04 -1.26 -5.08 135.00 136.06 2yro s PRO 8 Ca 0.14 1.14 -0.18 0.00 0.04 0.00 0.00 61.00 62.14 2yro s PRO 8 Cb -0.07 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.67 2yro s PRO 8 CO -0.21 -1.70 0.75 0.21 0.04 0.00 0.00 177.00 176.10 2yro s LYS 9 N -4.91 0.67 -0.11 4.56 2.20 -1.26 -5.08 119.74 115.82 2yro s LYS 9 Ca 0.61 1.08 -0.10 0.00 -0.36 0.00 0.00 55.97 57.21 2yro s LYS 9 Cb -0.17 0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 36.27 2yro s LYS 9 CO 0.56 -0.13 -0.22 -1.13 -0.36 0.00 0.00 175.35 174.08 2yro n SER 10 N 3.90 1.48 0.00 1.43 3.41 -1.26 -5.07 113.62 117.51 2yro n SER 10 Ca -0.19 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2yro n SER 10 Cb 0.58 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2yro n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yro n GLY 11 N 2.14 -0.73 3.88 5.00 0.00 -1.26 -5.17 105.19 109.06 2yro n GLY 11 Ca -0.17 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2yro n GLY 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yro s THR 12 N 0.00 4.88 -0.40 2.61 -4.23 -1.26 -5.01 115.64 112.22 2yro s THR 12 Ca 0.00 0.42 -0.28 0.00 -1.18 0.00 0.00 61.69 60.65 2yro s THR 12 Cb 0.00 -3.72 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 2yro s THR 12 CO 0.00 -0.40 1.73 -2.16 -0.54 0.00 0.00 174.62 173.26 2yro s PRO 13 N -3.61 3.24 1.01 3.99 0.04 -1.26 -4.97 135.00 133.43 2yro s PRO 13 Ca 0.48 1.16 -0.19 0.00 0.04 0.00 0.00 61.00 62.50 2yro s PRO 13 Cb -0.10 -4.20 -0.07 0.00 0.04 0.00 0.00 34.50 30.16 2yro s PRO 13 CO 0.29 -1.98 -0.56 1.04 0.04 0.00 0.00 177.00 175.83 2yro n GLN 14 N 8.52 -0.34 -4.10 4.56 6.02 -1.26 -4.76 117.38 126.03 2yro n GLN 14 Ca 0.21 -0.09 -0.24 0.00 -0.01 0.00 0.00 57.00 56.88 2yro n GLN 14 Cb 0.48 -1.32 -0.06 0.00 1.02 0.00 0.00 30.24 30.36 2yro n GLN 14 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2yro n LEU 15 N 1.49 0.00 -4.17 1.08 4.77 -1.21 -4.98 117.00 113.99 2yro n LEU 15 Ca 0.00 -2.62 -0.11 0.00 -0.03 0.00 0.00 56.01 53.25 2yro n LEU 15 Cb 0.61 0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 42.22 2yro n LEU 15 CO 0.50 -0.39 -0.39 -0.44 -1.33 0.00 0.00 177.39 175.34 2yro s SER 16 N -3.19 1.18 0.13 -1.43 0.01 -1.26 -4.62 113.70 104.52 2yro s SER 16 Ca 0.10 -0.95 0.06 0.00 1.31 0.00 0.00 55.95 56.47 2yro s SER 16 Cb 0.00 0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 2yro s SER 16 CO 0.07 -0.42 -0.00 -0.76 0.41 0.00 0.00 173.24 172.54 2yro s LEU 17 N -2.87 3.38 0.20 2.44 1.43 -1.26 -3.12 118.68 118.88 2yro s LEU 17 Ca 0.10 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 2yro s LEU 17 Cb 0.03 -2.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.08 2yro s LEU 17 CO -0.04 0.13 1.30 -2.16 0.23 0.00 0.00 176.35 175.82 2yro s PRO 18 N -2.60 4.40 -0.74 1.29 0.04 -1.26 -5.10 135.00 131.03 2yro s PRO 18 Ca 0.26 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 63.12 2yro s PRO 18 Cb -0.11 -3.19 0.07 0.00 0.04 0.00 0.00 34.50 31.32 2yro s PRO 18 CO 0.18 -0.23 1.06 0.12 0.04 0.00 0.00 177.00 178.18 2yro s PHE 19 N 0.03 2.68 -0.32 0.56 5.36 0.63 -4.93 117.98 121.99 2yro s PHE 19 Ca 0.56 -0.64 0.03 0.00 -0.96 0.00 0.00 56.93 55.93 2yro s PHE 19 Cb -0.36 -4.36 0.09 0.00 -0.34 0.00 0.00 43.02 38.04 2yro s PHE 19 CO 0.39 -1.70 0.01 0.00 -1.46 0.00 0.00 175.22 172.46 2yro s ALA 20 N 4.13 2.75 -0.06 11.12 0.00 -1.26 -0.58 121.76 137.85 2yro s ALA 20 Ca 0.27 -2.29 -0.05 0.00 0.00 0.00 0.00 51.96 49.88 2yro s ALA 20 Cb -0.13 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.16 2yro s ALA 20 CO 0.06 -1.56 0.16 0.00 0.00 0.00 0.00 175.76 174.42 2yro s ALA 21 N 0.99 -0.39 0.49 0.00 0.00 -1.11 -5.00 121.76 116.75 2yro s ALA 21 Ca 0.06 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.40 2yro s ALA 21 Cb -0.19 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 2yro s ALA 21 CO -0.08 -0.08 0.84 1.03 0.00 0.00 0.00 175.76 177.47 2yro s ARG 22 N 0.15 3.63 -0.08 0.00 0.52 -1.26 -2.36 118.95 119.54 2yro s ARG 22 Ca -0.01 0.41 -0.14 0.00 -0.52 0.00 0.00 55.73 55.47 2yro s ARG 22 Cb -0.02 -2.31 -0.05 0.00 0.52 0.00 0.00 34.95 33.10 2yro s ARG 22 CO -0.00 -0.25 0.37 -0.51 0.02 0.00 0.00 175.30 174.93 2yro s LEU 23 N -4.60 4.36 0.30 2.53 1.43 1.00 -4.94 118.68 118.76 2yro s LEU 23 Ca 0.50 0.76 0.11 0.00 -1.03 0.00 0.00 54.13 54.47 2yro s LEU 23 Cb -0.10 -2.50 0.96 0.00 0.03 0.00 0.00 46.19 44.57 2yro s LEU 23 CO 0.43 0.20 1.40 0.59 0.23 0.00 0.00 176.35 179.20 2yro n ASN 24 N 2.71 0.12 -4.26 2.29 4.13 -1.26 -4.42 115.26 114.57 2yro n ASN 24 Ca -0.12 1.49 -0.17 0.00 1.68 0.00 0.00 54.58 57.45 2yro n ASN 24 Cb 0.52 -0.64 -0.11 0.00 -1.54 0.00 0.00 39.78 38.01 2yro n ASN 24 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2yro s THR 25 N -5.59 1.38 -0.06 3.41 -4.23 -1.26 -5.11 115.64 104.18 2yro s THR 25 Ca -0.10 -1.86 -0.30 0.00 -1.18 0.00 0.00 61.69 58.26 2yro s THR 25 Cb 0.28 -1.67 -0.05 0.00 1.34 0.00 0.00 72.50 72.40 2yro s THR 25 CO 0.69 -0.50 1.49 -2.16 -0.54 0.00 0.00 174.62 173.61 2yro s PRO 26 N -3.00 4.22 1.07 3.99 0.04 -1.26 -4.88 135.00 135.18 2yro s PRO 26 Ca 0.12 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 63.00 2yro s PRO 26 Cb -0.03 -3.80 0.26 0.00 0.04 0.00 0.00 34.50 30.98 2yro s PRO 26 CO 0.03 -0.73 1.02 0.00 0.04 0.00 0.00 177.00 177.36 2yro n MET 27 N 6.42 -2.63 0.00 4.56 0.00 -0.88 -4.89 117.12 119.70 2yro n MET 27 Ca 0.15 -1.62 0.00 0.00 0.00 0.00 0.00 57.70 56.23 2yro n MET 27 Cb 0.43 -1.43 0.00 0.00 0.00 0.00 0.00 33.22 32.22 2yro n MET 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2yro n GLY 28 N -3.82 -0.65 3.76 3.17 0.00 -1.23 -3.50 105.19 102.91 2yro n GLY 28 Ca 0.14 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 2yro n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yro s PRO 29 N -1.31 4.44 0.00 1.61 0.04 -1.26 -2.88 135.00 135.64 2yro s PRO 29 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2yro s PRO 29 Cb 0.00 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2yro s PRO 29 CO 0.00 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.35 2yro n GLY 30 N 1.37 2.86 3.66 0.56 0.00 0.90 -4.97 105.19 109.57 2yro n GLY 30 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2yro n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yro s ARG 31 N -0.03 4.26 -0.29 1.61 6.06 -1.14 -4.23 118.95 125.19 2yro s ARG 31 Ca 0.00 1.56 -0.14 0.00 -2.50 0.00 0.00 55.73 54.66 2yro s ARG 31 Cb 0.00 -3.70 -0.03 0.00 0.06 0.00 0.00 34.95 31.28 2yro s ARG 31 CO 0.00 -0.64 0.30 0.99 -2.50 0.00 0.00 175.30 173.45 2yro s THR 32 N 3.23 5.22 -0.33 4.11 2.01 -0.42 -3.92 115.64 125.54 2yro s THR 32 Ca 0.51 0.27 -0.04 0.00 0.31 0.00 0.00 61.69 62.74 2yro s THR 32 Cb -0.20 -3.67 0.06 0.00 0.01 0.00 0.00 72.50 68.69 2yro s THR 32 CO 0.13 0.12 0.08 -0.69 -0.69 0.00 0.00 174.62 173.57 2yro s VAL 33 N 1.93 3.38 0.22 3.82 1.01 -0.48 -1.51 120.40 128.77 2yro s VAL 33 Ca 0.11 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.71 2yro s VAL 33 Cb -0.16 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2yro s VAL 33 CO 0.11 -0.23 0.40 0.68 0.00 0.00 0.00 175.10 176.06 2yro s VAL 34 N 1.30 5.21 -0.29 2.92 -7.23 -0.26 -0.71 120.40 121.33 2yro s VAL 34 Ca -0.02 -0.45 -0.01 0.00 -1.81 0.00 0.00 61.98 59.69 2yro s VAL 34 Cb -0.20 -3.76 0.09 0.00 0.56 0.00 0.00 36.38 33.07 2yro s VAL 34 CO 0.00 -0.22 0.09 -0.69 -0.31 0.00 0.00 175.10 173.97 2yro s VAL 35 N -1.92 0.79 -0.19 1.32 1.01 0.30 -2.98 120.40 118.73 2yro s VAL 35 Ca 0.38 -1.26 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 2yro s VAL 35 Cb -0.11 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2yro s VAL 35 CO 0.30 -0.61 0.76 -0.54 0.00 0.00 0.00 175.10 175.00 2yro s LYS 36 N 1.67 4.25 0.09 2.72 1.02 -0.83 -2.58 119.74 126.07 2yro s LYS 36 Ca 0.08 0.86 -0.05 0.00 0.02 0.00 0.00 55.97 56.89 2yro s LYS 36 Cb -0.17 -3.59 0.02 0.00 -0.52 0.00 0.00 37.83 33.57 2yro s LYS 36 CO -0.24 -0.32 0.23 0.41 -0.92 0.00 0.00 175.35 174.51 2yro n GLY 37 N 3.63 1.54 3.17 -3.33 0.00 -1.17 -1.76 105.19 107.26 2yro n GLY 37 Ca 0.03 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 2yro n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yro s GLU 38 N -2.02 0.36 0.14 1.61 2.02 -0.34 -2.74 118.70 117.73 2yro s GLU 38 Ca 0.05 0.29 -0.22 0.00 0.02 0.00 0.00 54.97 55.11 2yro s GLU 38 Cb -0.01 0.17 -0.08 0.00 0.10 0.00 0.00 34.13 34.32 2yro s GLU 38 CO 0.03 -0.06 0.69 0.08 0.02 0.00 0.00 175.26 176.03 2yro s VAL 39 N -0.07 4.53 0.35 2.63 1.01 -0.76 -0.22 120.40 127.86 2yro s VAL 39 Ca -0.02 1.47 -0.25 0.00 0.00 0.00 0.00 61.98 63.18 2yro s VAL 39 Cb -0.03 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 2yro s VAL 39 CO 0.01 0.50 0.98 0.20 0.00 0.00 0.00 175.10 176.79 2yro s ASN 40 N -1.20 7.15 0.19 3.32 0.01 -1.22 -0.40 114.94 122.79 2yro s ASN 40 Ca 0.34 1.91 -0.13 0.00 -0.71 0.00 0.00 52.86 54.27 2yro s ASN 40 Cb -0.21 -2.58 0.21 0.00 0.41 0.00 0.00 41.25 39.07 2yro s ASN 40 CO 0.23 -0.21 1.68 0.00 -1.51 0.00 0.00 177.10 177.29 2yro h ALA 41 N 2.94 0.49 -0.89 0.60 0.00 -1.92 -0.25 119.26 120.23 2yro h ALA 41 Ca -0.47 0.16 -0.55 0.00 0.00 0.00 0.00 54.91 54.05 2yro h ALA 41 Cb 1.20 0.28 -0.27 0.00 0.00 0.00 0.00 17.79 19.00 2yro h ALA 41 CO 0.64 -0.39 0.70 0.27 0.00 0.00 0.00 179.25 180.47 2yro n ASN 42 N -5.25 5.88 -4.70 0.00 0.23 -1.26 -4.68 115.26 105.48 2yro n ASN 42 Ca 0.06 -3.55 -0.42 0.00 -0.53 0.00 0.00 54.58 50.13 2yro n ASN 42 Cb 0.28 -0.92 -0.03 0.00 -2.08 0.00 0.00 39.78 37.04 2yro n ASN 42 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yro s ALA 43 N -3.22 3.27 -0.11 -2.53 0.00 -0.11 -4.97 121.76 114.10 2yro s ALA 43 Ca 0.55 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 2yro s ALA 43 Cb 0.44 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 20.07 2yro s ALA 43 CO 0.04 -0.39 0.37 -0.22 0.00 0.00 0.00 175.76 175.55 2yro h LYS 44 N 6.93 -0.02 -1.22 0.00 1.63 -1.89 -3.47 116.57 118.53 2yro h LYS 44 Ca -0.37 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 59.59 2yro h LYS 44 Cb 1.19 0.00 -0.31 0.00 -0.60 0.00 0.00 32.23 32.52 2yro h LYS 44 CO 0.80 0.41 0.77 -1.54 -3.45 0.00 0.00 179.45 176.43 2yro s SER 45 N -5.81 -0.16 0.44 4.20 1.04 -1.26 -3.35 113.70 108.80 2yro s SER 45 Ca -0.09 0.30 0.07 0.00 0.48 0.00 0.00 55.95 56.72 2yro s SER 45 Cb -0.01 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 2yro s SER 45 CO 0.31 -0.07 0.29 0.72 0.98 0.00 0.00 173.24 175.47 2yro s PHE 46 N -0.05 2.47 -0.03 5.02 -0.71 -1.26 -3.46 117.98 119.95 2yro s PHE 46 Ca 0.06 -0.60 -0.21 0.00 -1.04 0.00 0.00 56.93 55.14 2yro s PHE 46 Cb -0.05 -2.03 0.04 0.00 -1.21 0.00 0.00 43.02 39.78 2yro s PHE 46 CO -0.12 -0.04 0.45 0.54 -1.34 0.00 0.00 175.22 174.71 2yro s ASN 47 N -4.05 -0.37 -0.28 1.98 4.22 -0.26 -3.20 114.94 112.98 2yro s ASN 47 Ca 0.42 0.34 0.00 0.00 -2.14 0.00 0.00 52.86 51.48 2yro s ASN 47 Cb 0.00 0.42 0.08 0.00 1.28 0.00 0.00 41.25 43.03 2yro s ASN 47 CO 0.24 -0.50 0.04 -0.69 -2.04 0.00 0.00 177.10 174.15 2yro s VAL 48 N -1.23 1.24 -0.46 3.54 1.01 -0.90 -1.84 120.40 121.76 2yro s VAL 48 Ca -0.12 -1.39 -0.20 0.00 0.00 0.00 0.00 61.98 60.27 2yro s VAL 48 Cb -0.03 -1.78 0.04 0.00 0.00 0.00 0.00 36.38 34.60 2yro s VAL 48 CO 0.06 -0.44 0.62 -1.81 0.00 0.00 0.00 175.10 173.54 2yro s ASP 49 N 1.47 6.27 -0.44 3.32 1.01 -0.41 -3.17 116.67 124.73 2yro s ASP 49 Ca 0.04 -0.57 -0.14 0.00 0.71 0.00 0.00 52.55 52.59 2yro s ASP 49 Cb -0.18 -2.30 0.05 0.00 1.01 0.00 0.00 42.92 41.50 2yro s ASP 49 CO -0.15 -0.81 0.33 -0.22 0.21 0.00 0.00 175.17 174.54 2yro s LEU 50 N 2.72 5.33 0.41 1.23 2.96 -0.64 -1.70 118.68 128.99 2yro s LEU 50 Ca 0.19 -1.17 0.04 0.00 -0.22 0.00 0.00 54.13 52.97 2yro s LEU 50 Cb -0.16 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 2yro s LEU 50 CO 0.16 -0.55 0.05 -1.48 -1.32 0.00 0.00 176.35 173.22 2yro s LEU 51 N 1.63 2.30 -0.05 -0.68 0.05 -1.23 -0.84 118.68 119.86 2yro s LEU 51 Ca 0.04 -1.52 -0.00 0.00 0.05 0.00 0.00 54.13 52.70 2yro s LEU 51 Cb -0.22 -0.49 -0.03 0.00 -2.05 0.00 0.00 46.19 43.39 2yro s LEU 51 CO 0.07 -0.72 -0.00 0.00 -0.55 0.00 0.00 176.35 175.16 2yro s ALA 52 N -3.06 3.27 -1.00 1.48 0.00 -1.08 -3.02 121.76 118.34 2yro s ALA 52 Ca 0.26 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2yro s ALA 52 Cb 0.06 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.76 2yro s ALA 52 CO 0.13 0.61 0.49 0.41 0.00 0.00 0.00 175.76 177.40 2yro n GLY 53 N 1.84 1.48 0.13 0.00 0.00 -1.26 -2.01 105.19 105.37 2yro n GLY 53 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 2yro n GLY 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yro n LYS 54 N 0.01 0.49 -0.44 1.61 3.00 -1.26 -4.75 118.16 116.81 2yro n LYS 54 Ca 0.00 0.19 0.07 0.00 -0.00 0.00 0.00 58.31 58.58 2yro n LYS 54 Cb 0.25 -1.36 0.17 0.00 0.00 0.00 0.00 35.03 34.09 2yro n LYS 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2yro n SER 55 N -4.35 1.86 -4.27 3.14 7.64 -1.25 -4.98 113.62 111.41 2yro n SER 55 Ca -0.13 -3.43 -0.32 0.00 1.01 0.00 0.00 58.87 56.00 2yro n SER 55 Cb 0.48 -0.47 -0.09 0.00 -1.01 0.00 0.00 64.21 63.12 2yro n SER 55 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2yro n LYS 56 N -1.12 -0.90 -3.86 1.43 4.76 -0.85 -4.90 118.16 112.72 2yro n LYS 56 Ca 0.17 0.09 -0.35 0.00 -2.87 0.00 0.00 58.31 55.35 2yro n LYS 56 Cb 0.69 -3.62 -0.14 0.00 -1.84 0.00 0.00 35.03 30.13 2yro n LYS 56 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2yro s ASP 57 N -4.10 4.56 -0.33 4.39 2.15 -1.25 -4.89 116.67 117.21 2yro s ASP 57 Ca 0.15 -0.34 -0.29 0.00 0.43 0.00 0.00 52.55 52.51 2yro s ASP 57 Cb -0.09 -1.80 -0.01 0.00 -0.30 0.00 0.00 42.92 40.72 2yro s ASP 57 CO 0.96 -0.03 1.62 -0.63 -0.17 0.00 0.00 175.17 176.93 2yro s ILE 58 N 1.52 3.68 0.01 4.11 1.01 -1.15 -2.65 121.20 127.73 2yro s ILE 58 Ca 0.06 0.71 -0.20 0.00 0.00 0.00 0.00 60.65 61.22 2yro s ILE 58 Cb -0.15 -3.85 -0.22 0.00 0.01 0.00 0.00 42.46 38.26 2yro s ILE 58 CO -0.01 -0.50 1.14 0.00 0.00 0.00 0.00 174.94 175.57 2yro h ALA 59 N 11.62 0.11 -3.64 9.38 0.00 -1.27 -3.21 119.26 132.25 2yro h ALA 59 Ca -0.32 -0.53 -0.26 0.00 0.00 0.00 0.00 54.91 53.80 2yro h ALA 59 Cb 1.14 0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.64 2yro h ALA 59 CO 1.04 0.33 -0.73 -1.17 0.00 0.00 0.00 179.25 178.72 2yro s LEU 60 N -8.45 1.60 -0.30 0.00 2.96 -1.09 -4.14 118.68 109.25 2yro s LEU 60 Ca -0.13 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 2yro s LEU 60 Cb 0.04 -0.04 0.10 0.00 0.50 0.00 0.00 46.19 46.78 2yro s LEU 60 CO 0.81 -0.05 0.10 -2.28 -1.32 0.00 0.00 176.35 173.61 2yro s HIS 61 N 0.47 1.34 -0.29 5.38 5.65 -0.40 -1.62 115.29 125.83 2yro s HIS 61 Ca -0.04 -1.48 -0.04 0.00 0.25 0.00 0.00 55.06 53.74 2yro s HIS 61 Cb -0.06 -1.48 0.03 0.00 -1.18 0.00 0.00 32.58 29.88 2yro s HIS 61 CO -0.01 -0.85 0.03 -0.51 -0.65 0.00 0.00 174.74 172.75 2yro s LEU 62 N 1.74 3.73 -0.34 8.88 1.43 -1.19 -1.62 118.68 131.31 2yro s LEU 62 Ca 0.09 -0.91 0.03 0.00 -1.03 0.00 0.00 54.13 52.30 2yro s LEU 62 Cb -0.17 -1.79 0.10 0.00 0.03 0.00 0.00 46.19 44.37 2yro s LEU 62 CO -0.27 -0.20 0.08 0.21 0.23 0.00 0.00 176.35 176.39 2yro s ASN 63 N 1.39 4.50 1.20 2.29 3.84 -0.47 -2.13 114.94 125.57 2yro s ASN 63 Ca -0.00 -2.06 -0.19 0.00 0.21 0.00 0.00 52.86 50.82 2yro s ASN 63 Cb -0.18 -1.39 0.28 0.00 -0.55 0.00 0.00 41.25 39.42 2yro s ASN 63 CO -0.00 -0.38 1.11 -2.16 -2.79 0.00 0.00 177.10 172.88 2yro s PRO 64 N 1.04 -1.18 -0.17 0.43 0.04 -1.19 -2.12 135.00 131.85 2yro s PRO 64 Ca 0.11 -0.05 -0.08 0.00 0.04 0.00 0.00 61.00 61.02 2yro s PRO 64 Cb -0.19 -1.60 0.06 0.00 0.04 0.00 0.00 34.50 32.82 2yro s PRO 64 CO -0.12 -3.69 0.39 1.03 0.04 0.00 0.00 177.00 174.65 2yro s ARG 65 N -5.39 0.35 -0.07 4.56 0.52 0.55 -4.30 118.95 115.17 2yro s ARG 65 Ca 0.71 0.81 0.11 0.00 -0.52 0.00 0.00 55.73 56.84 2yro s ARG 65 Cb -0.10 0.04 -0.24 0.00 0.52 0.00 0.00 34.95 35.17 2yro s ARG 65 CO 0.56 -0.18 0.56 1.28 0.02 0.00 0.00 175.30 177.54 2yro n LEU 66 N 4.54 1.03 -0.35 2.53 4.77 -1.21 -0.63 117.00 127.68 2yro n LEU 66 Ca -0.20 0.35 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2yro n LEU 66 Cb 0.54 0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.71 2yro n LEU 66 CO 0.07 0.46 0.55 -3.20 -1.33 0.00 0.00 177.39 173.93 2yro n ASN 67 N -3.07 -0.56 -0.96 -1.43 2.85 -1.26 -2.44 115.26 108.39 2yro n ASN 67 Ca -0.20 1.60 0.04 0.00 -0.11 0.00 0.00 54.58 55.90 2yro n ASN 67 Cb 1.06 -0.38 0.07 0.00 1.24 0.00 0.00 39.78 41.77 2yro n ASN 67 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2yro n ILE 68 N -5.37 0.65 -3.73 -1.44 -0.00 -1.26 -4.99 119.36 103.22 2yro n ILE 68 Ca 0.10 -1.39 -0.24 0.00 -0.00 0.00 0.00 62.75 61.22 2yro n ILE 68 Cb 0.38 0.51 0.04 0.00 -0.00 0.00 0.00 39.64 40.58 2yro n ILE 68 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2yro n LYS 69 N -0.13 -5.78 -3.68 6.28 5.02 -0.91 -4.96 118.16 114.00 2yro n LYS 69 Ca 0.08 0.67 -0.35 0.00 -2.02 0.00 0.00 58.31 56.69 2yro n LYS 69 Cb 0.91 -5.47 -0.08 0.00 -0.02 0.00 0.00 35.03 30.37 2yro n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yro s ALA 70 N -3.46 3.67 -0.39 7.82 0.00 0.20 -4.84 121.76 124.76 2yro s ALA 70 Ca 0.31 -0.62 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 2yro s ALA 70 Cb -0.15 -2.23 0.08 0.00 0.00 0.00 0.00 23.12 20.82 2yro s ALA 70 CO 0.80 0.15 0.19 0.12 0.00 0.00 0.00 175.76 177.02 2yro s PHE 71 N 0.36 3.41 0.03 0.00 2.19 -1.26 0.21 117.98 122.91 2yro s PHE 71 Ca 0.10 -1.89 -0.18 0.00 0.33 0.00 0.00 56.93 55.29 2yro s PHE 71 Cb -0.12 -2.88 -0.06 0.00 -1.31 0.00 0.00 43.02 38.66 2yro s PHE 71 CO -0.00 -0.88 0.53 0.08 1.83 0.00 0.00 175.22 176.78 2yro s VAL 72 N 1.30 4.86 -0.07 3.12 1.01 -0.90 -4.44 120.40 125.27 2yro s VAL 72 Ca 0.03 1.12 -0.03 0.00 0.00 0.00 0.00 61.98 63.10 2yro s VAL 72 Cb -0.22 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.34 2yro s VAL 72 CO -0.01 0.52 0.15 0.00 0.00 0.00 0.00 175.10 175.77 2yro s ARG 73 N -0.81 0.08 0.33 2.72 1.70 -1.26 -1.37 118.95 120.33 2yro s ARG 73 Ca 0.28 0.44 -0.18 0.00 -0.47 0.00 0.00 55.73 55.80 2yro s ARG 73 Cb -0.18 -0.21 0.06 0.00 -0.57 0.00 0.00 34.95 34.05 2yro s ARG 73 CO 0.17 -0.21 0.85 1.21 -1.08 0.00 0.00 175.30 176.24 2yro s ASN 74 N 1.52 -0.01 0.01 -2.89 2.47 -0.64 -4.19 114.94 111.22 2yro s ASN 74 Ca -0.05 -0.99 0.00 0.00 0.42 0.00 0.00 52.86 52.24 2yro s ASN 74 Cb -0.12 0.75 -0.01 0.00 -1.45 0.00 0.00 41.25 40.42 2yro s ASN 74 CO -0.06 -1.49 -0.03 -0.55 -3.72 0.00 0.00 177.10 171.26 2yro s SER 75 N -3.14 0.29 -0.38 -4.21 0.15 -1.26 -1.27 113.70 103.88 2yro s SER 75 Ca 0.17 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.50 2yro s SER 75 Cb -0.04 0.04 0.10 0.00 -1.71 0.00 0.00 66.02 64.40 2yro s SER 75 CO 0.09 -0.15 0.14 0.12 1.20 0.00 0.00 173.24 174.65 2yro s PHE 76 N -0.82 3.53 -0.02 3.44 5.36 -1.21 -2.23 117.98 126.03 2yro s PHE 76 Ca -0.08 -2.34 0.07 0.00 -0.96 0.00 0.00 56.93 53.62 2yro s PHE 76 Cb -0.06 -2.95 -0.02 0.00 -0.34 0.00 0.00 43.02 39.66 2yro s PHE 76 CO -0.00 -0.93 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.09 2yro s LEU 77 N 1.15 2.04 -1.61 6.12 1.43 -0.87 -2.92 118.68 124.02 2yro s LEU 77 Ca 0.06 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.59 2yro s LEU 77 Cb -0.22 -1.18 0.12 0.00 0.03 0.00 0.00 46.19 44.94 2yro s LEU 77 CO -0.04 0.28 0.88 0.00 0.23 0.00 0.00 176.35 177.70 2yro n GLN 78 N 2.52 -4.36 -3.43 1.70 6.02 -1.26 -0.15 117.38 118.43 2yro n GLN 78 Ca -0.16 0.49 -0.25 0.00 -0.01 0.00 0.00 57.00 57.07 2yro n GLN 78 Cb 0.52 -5.28 0.04 0.00 1.02 0.00 0.00 30.24 26.54 2yro n GLN 78 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2yro n GLU 79 N -4.53 -5.49 -3.70 -1.09 1.02 -1.26 -4.97 120.64 100.62 2yro n GLU 79 Ca 0.05 0.74 -0.18 0.00 -0.02 0.00 0.00 57.16 57.75 2yro n GLU 79 Cb 0.51 -5.63 -0.17 0.00 -0.02 0.00 0.00 31.44 26.14 2yro n GLU 79 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2yro s SER 80 N -2.99 0.73 0.02 1.62 0.01 0.79 -5.14 113.70 108.74 2yro s SER 80 Ca 0.48 0.14 -0.27 0.00 1.31 0.00 0.00 55.95 57.60 2yro s SER 80 Cb -0.23 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 2yro s SER 80 CO 0.59 -0.21 0.85 0.26 0.41 0.00 0.00 173.24 175.13 2yro s TRP 81 N 1.87 3.69 0.00 2.43 0.52 -1.26 -2.05 118.94 124.15 2yro s TRP 81 Ca 0.00 1.55 0.00 0.00 0.02 0.00 0.00 56.10 57.67 2yro s TRP 81 Cb -0.12 -2.95 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 2yro s TRP 81 CO -0.04 0.13 0.00 0.41 0.02 0.00 0.00 176.95 177.48 2yro n GLY 82 N 2.68 -1.18 3.41 0.98 0.00 -0.95 -5.00 105.19 105.13 2yro n GLY 82 Ca 0.01 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 2yro n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yro s GLU 83 N 0.00 3.47 0.38 1.61 2.02 -1.26 -4.99 118.70 119.94 2yro s GLU 83 Ca 0.00 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 54.38 2yro s GLU 83 Cb 0.00 -2.72 -0.02 0.00 0.10 0.00 0.00 34.13 31.50 2yro s GLU 83 CO 0.00 0.22 0.57 -1.21 0.02 0.00 0.00 175.26 174.86 2yro s GLU 84 N 0.36 3.23 -0.02 1.61 2.02 -1.26 -4.73 118.70 119.91 2yro s GLU 84 Ca -0.09 -0.57 -0.29 0.00 0.02 0.00 0.00 54.97 54.04 2yro s GLU 84 Cb -0.15 -2.67 0.08 0.00 0.10 0.00 0.00 34.13 31.48 2yro s GLU 84 CO 0.05 -0.02 0.70 -2.00 0.02 0.00 0.00 175.26 174.01 2yro s GLU 85 N -4.36 1.06 -0.38 1.61 2.12 -1.26 -5.05 118.70 112.44 2yro s GLU 85 Ca 0.44 0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.87 2yro s GLU 85 Cb -0.10 0.50 0.12 0.00 0.26 0.00 0.00 34.13 34.91 2yro s GLU 85 CO 0.35 -0.36 0.17 1.03 -0.54 0.00 0.00 175.26 175.91 2yro s ARG 86 N -1.72 1.02 -0.30 4.30 0.52 -1.26 -4.10 118.95 117.41 2yro s ARG 86 Ca -0.08 -1.58 -0.07 0.00 -0.52 0.00 0.00 55.73 53.48 2yro s ARG 86 Cb -0.00 -2.18 0.16 0.00 0.52 0.00 0.00 34.95 33.45 2yro s ARG 86 CO 0.04 -1.08 0.69 1.21 0.02 0.00 0.00 175.30 176.18 2yro s ASN 87 N 0.93 -1.15 0.03 0.23 2.47 -1.26 -4.98 114.94 111.22 2yro s ASN 87 Ca 0.14 1.12 -0.00 0.00 0.42 0.00 0.00 52.86 54.54 2yro s ASN 87 Cb -0.21 2.12 -0.03 0.00 -1.45 0.00 0.00 41.25 41.68 2yro s ASN 87 CO -0.10 -0.22 -0.03 0.27 -3.72 0.00 0.00 177.10 173.30 2yro s ILE 88 N 2.84 0.17 0.26 -5.21 -4.36 -1.26 -5.00 121.20 108.64 2yro s ILE 88 Ca 0.06 -1.33 0.15 0.00 -0.26 0.00 0.00 60.65 59.27 2yro s ILE 88 Cb -0.13 -0.84 0.07 0.00 1.25 0.00 0.00 42.46 42.81 2yro s ILE 88 CO -0.19 -0.72 1.72 0.00 0.24 0.00 0.00 174.94 175.98 2yro h THR 89 N 3.96 1.16 -1.56 8.37 1.03 -2.00 -3.47 112.91 120.41 2yro h THR 89 Ca -0.33 -1.66 0.24 0.00 -0.01 0.00 0.00 66.41 64.65 2yro h THR 89 Cb 1.18 1.94 -0.18 0.00 -1.07 0.00 0.00 68.15 70.02 2yro h THR 89 CO 0.52 0.45 0.78 -0.55 -0.01 0.00 0.00 175.52 176.71 2yro s SER 90 N -6.68 -0.16 -0.53 0.00 0.15 -1.26 -5.12 113.70 100.10 2yro s SER 90 Ca -0.01 -0.01 -0.07 0.00 0.70 0.00 0.00 55.95 56.56 2yro s SER 90 Cb 0.12 0.17 0.14 0.00 -1.71 0.00 0.00 66.02 64.74 2yro s SER 90 CO 0.72 -0.28 0.39 0.12 1.20 0.00 0.00 173.24 175.39 2yro s PHE 91 N -2.49 3.49 0.23 3.44 5.36 -1.26 -4.92 117.98 121.82 2yro s PHE 91 Ca 0.09 -2.18 0.23 0.00 -0.96 0.00 0.00 56.93 54.11 2yro s PHE 91 Cb -0.01 -3.42 0.97 0.00 -0.34 0.00 0.00 43.02 40.22 2yro s PHE 91 CO -0.05 -0.96 1.86 -1.00 -1.46 0.00 0.00 175.22 173.61 2yro h PRO 92 N 7.98 0.00 -6.83 10.12 0.13 -1.99 -3.44 132.00 137.97 2yro h PRO 92 Ca -0.12 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.48 2yro h PRO 92 Cb 1.04 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.24 2yro h PRO 92 CO 0.79 0.25 0.77 -0.06 -0.23 0.00 0.00 178.00 179.52 2yro s PHE 93 N -3.81 2.87 -0.05 1.56 0.08 -1.26 -5.02 117.98 112.35 2yro s PHE 93 Ca -0.01 1.07 -0.04 0.00 0.12 0.00 0.00 56.93 58.07 2yro s PHE 93 Cb 0.11 -3.90 0.01 0.00 -0.57 0.00 0.00 43.02 38.68 2yro s PHE 93 CO 0.64 -2.81 0.12 -1.12 -0.10 0.00 0.00 175.22 171.96 2yro s SER 94 N 0.13 -0.12 -0.37 1.36 0.01 -1.26 -5.04 113.70 108.40 2yro s SER 94 Ca 0.57 0.24 -0.28 0.00 1.31 0.00 0.00 55.95 57.78 2yro s SER 94 Cb -0.44 0.25 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 2yro s SER 94 CO 0.51 -0.05 1.71 -2.16 0.41 0.00 0.00 173.24 173.66 2yro s PRO 95 N 0.04 3.35 0.00 12.44 0.04 -1.26 -3.10 135.00 146.52 2yro s PRO 95 Ca -0.00 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.30 2yro s PRO 95 Cb -0.01 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2yro s PRO 95 CO 0.00 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 175.61 2yro n GLY 96 N 5.36 0.89 3.17 0.56 0.00 0.47 -4.49 105.19 111.15 2yro n GLY 96 Ca 0.21 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 2yro n GLY 96 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2yro s MET 97 N -1.64 0.82 -0.21 1.61 0.23 -1.18 -4.94 119.30 113.99 2yro s MET 97 Ca 0.00 -1.19 -0.22 0.00 -1.03 0.00 0.00 55.69 53.25 2yro s MET 97 Cb 0.00 0.28 -0.02 0.00 -1.53 0.00 0.00 34.83 33.56 2yro s MET 97 CO 0.00 -0.23 0.70 -0.47 -2.03 0.00 0.00 175.02 172.99 2yro s TYR 98 N -3.94 3.35 -0.01 3.16 6.14 -1.26 -1.83 117.35 122.96 2yro s TYR 98 Ca 0.12 0.99 0.06 0.00 0.64 0.00 0.00 57.07 58.88 2yro s TYR 98 Cb 0.06 -2.89 -0.02 0.00 0.42 0.00 0.00 41.96 39.54 2yro s TYR 98 CO -0.06 -0.26 -0.19 -0.59 0.64 0.00 0.00 175.55 175.09 2yro s PHE 99 N 2.24 1.67 -0.15 4.97 -0.12 -1.11 -4.93 117.98 120.56 2yro s PHE 99 Ca 0.31 -0.32 0.00 0.00 -0.05 0.00 0.00 56.93 56.87 2yro s PHE 99 Cb -0.16 -1.06 0.03 0.00 -0.63 0.00 0.00 43.02 41.19 2yro s PHE 99 CO 0.10 -0.01 -0.12 -2.00 -0.05 0.00 0.00 175.22 173.14 2yro s GLU 100 N -0.55 2.08 -0.31 1.99 2.12 -1.26 -3.07 118.70 119.71 2yro s GLU 100 Ca 0.07 -0.55 -0.14 0.00 0.36 0.00 0.00 54.97 54.71 2yro s GLU 100 Cb -0.07 -2.07 -0.03 0.00 0.26 0.00 0.00 34.13 32.22 2yro s GLU 100 CO -0.00 -0.28 0.33 1.41 -0.54 0.00 0.00 175.26 176.17 2yro s MET 101 N 1.52 3.76 -0.37 4.30 -2.45 -1.07 -1.64 119.30 123.35 2yro s MET 101 Ca 0.04 -0.28 -0.09 0.00 -1.25 0.00 0.00 55.69 54.11 2yro s MET 101 Cb -0.13 -3.74 0.04 0.00 1.25 0.00 0.00 34.83 32.25 2yro s MET 101 CO -0.10 -0.39 0.18 0.42 1.05 0.00 0.00 175.02 176.18 2yro s ILE 102 N 1.97 4.26 -0.51 10.11 1.09 -0.87 -0.54 121.20 136.71 2yro s ILE 102 Ca 0.12 -1.01 -0.17 0.00 -1.10 0.00 0.00 60.65 58.48 2yro s ILE 102 Cb -0.16 -3.42 0.08 0.00 -1.06 0.00 0.00 42.46 37.90 2yro s ILE 102 CO 0.11 -0.24 0.54 -0.63 -0.10 0.00 0.00 174.94 174.62 2yro s ILE 103 N 1.49 5.03 -0.11 2.92 1.01 0.11 -2.77 121.20 128.88 2yro s ILE 103 Ca 0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 2yro s ILE 103 Cb -0.20 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 2yro s ILE 103 CO 0.05 -0.78 -0.01 -0.47 0.00 0.00 0.00 174.94 173.73 2yro s TYR 104 N 2.18 3.11 -0.32 3.97 5.04 -1.23 -1.38 117.35 128.72 2yro s TYR 104 Ca 0.09 0.06 -0.07 0.00 -2.44 0.00 0.00 57.07 54.71 2yro s TYR 104 Cb -0.23 -1.84 0.03 0.00 0.35 0.00 0.00 41.96 40.27 2yro s TYR 104 CO 0.08 0.32 0.10 0.00 -1.34 0.00 0.00 175.55 174.71 2yro n ASP 106 N 4.84 3.91 -1.86 0.00 -0.08 -1.25 -0.07 116.55 122.04 2yro n ASP 106 Ca -0.13 -3.54 -0.09 0.00 -1.51 0.00 0.00 54.79 49.52 2yro n ASP 106 Cb 0.46 -0.81 -0.02 0.00 2.34 0.00 0.00 41.12 43.09 2yro n ASP 106 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2yro n VAL 107 N -0.96 -0.21 0.00 5.18 0.31 -1.26 -4.57 118.33 116.83 2yro n VAL 107 Ca 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.88 2yro n VAL 107 Cb 1.60 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 2yro n VAL 107 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2yro n ARG 108 N -2.14 0.71 -3.63 5.55 5.12 -1.26 -5.11 116.66 115.90 2yro n ARG 108 Ca -0.09 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.80 2yro n ARG 108 Cb 0.43 -0.63 -0.01 0.00 -1.16 0.00 0.00 32.46 31.09 2yro n ARG 108 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2yro s GLU 109 N -1.26 0.62 -0.53 5.56 -1.05 -1.26 -3.88 118.70 116.90 2yro s GLU 109 Ca 0.00 -0.31 -0.22 0.00 -0.15 0.00 0.00 54.97 54.29 2yro s GLU 109 Cb 0.00 0.23 0.05 0.00 -0.44 0.00 0.00 34.13 33.97 2yro s GLU 109 CO 0.00 -0.28 0.78 -0.06 0.95 0.00 0.00 175.26 176.65 2yro s PHE 110 N -2.71 2.92 0.31 4.83 0.08 0.15 -3.88 117.98 119.68 2yro s PHE 110 Ca 0.12 -0.29 -0.09 0.00 0.12 0.00 0.00 56.93 56.78 2yro s PHE 110 Cb 0.01 -3.80 -0.07 0.00 -0.57 0.00 0.00 43.02 38.60 2yro s PHE 110 CO -0.03 -1.19 0.63 0.15 -0.10 0.00 0.00 175.22 174.68 2yro s LYS 111 N 3.27 3.77 -0.16 0.44 1.02 -1.14 -0.91 119.74 126.03 2yro s LYS 111 Ca 0.22 0.29 -0.06 0.00 0.02 0.00 0.00 55.97 56.44 2yro s LYS 111 Cb -0.16 -2.55 0.07 0.00 -0.52 0.00 0.00 37.83 34.67 2yro s LYS 111 CO 0.15 0.17 0.34 0.54 -0.92 0.00 0.00 175.35 175.63 2yro s VAL 112 N -2.07 -0.44 0.26 3.17 0.11 -1.24 -3.46 120.40 116.73 2yro s VAL 112 Ca 0.48 0.21 0.11 0.00 -2.93 0.00 0.00 61.98 59.85 2yro s VAL 112 Cb -0.11 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.15 2yro s VAL 112 CO 0.26 0.09 -0.19 0.00 -3.33 0.00 0.00 175.10 171.93 2yro s ALA 113 N 2.31 2.56 -0.07 1.54 0.00 -1.11 -2.71 121.76 124.28 2yro s ALA 113 Ca -0.02 -1.82 -0.01 0.00 0.00 0.00 0.00 51.96 50.11 2yro s ALA 113 Cb -0.12 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.82 2yro s ALA 113 CO -0.11 0.23 -0.01 0.08 0.00 0.00 0.00 175.76 175.95 2yro s VAL 114 N -2.63 0.45 -1.37 0.00 1.01 -0.47 -2.06 120.40 115.32 2yro s VAL 114 Ca 0.28 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 2yro s VAL 114 Cb -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.78 2yro s VAL 114 CO 0.13 0.25 0.52 0.59 0.00 0.00 0.00 175.10 176.60 2yro n ASN 115 N 4.85 -5.58 -1.21 3.32 3.02 -0.65 -2.18 115.26 116.83 2yro n ASN 115 Ca -0.12 -0.25 -0.09 0.00 -0.03 0.00 0.00 54.58 54.09 2yro n ASN 115 Cb 0.50 -4.41 0.01 0.00 -0.61 0.00 0.00 39.78 35.26 2yro n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yro n GLY 116 N -1.43 0.08 2.75 7.41 0.00 -1.26 -5.02 105.19 107.72 2yro n GLY 116 Ca -0.10 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 2yro n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yro s VAL 117 N -2.62 -0.29 0.20 1.61 1.01 -0.93 -5.13 120.40 114.27 2yro s VAL 117 Ca 0.06 -0.05 -0.32 0.00 0.00 0.00 0.00 61.98 61.67 2yro s VAL 117 Cb -0.03 -0.60 -0.13 0.00 0.00 0.00 0.00 36.38 35.62 2yro s VAL 117 CO 0.08 -0.16 1.56 1.57 0.00 0.00 0.00 175.10 178.15 2yro n HIS 118 N 5.32 2.39 -0.01 5.22 -0.00 -1.26 -1.37 115.22 125.50 2yro n HIS 118 Ca -0.06 0.27 -0.01 0.00 0.46 0.00 0.00 57.72 58.39 2yro n HIS 118 Cb 0.49 -2.55 -0.00 0.00 -0.12 0.00 0.00 29.99 27.81 2yro n HIS 118 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2yro n SER 119 N 3.02 0.21 -3.92 0.26 3.41 -1.10 -4.90 113.62 110.60 2yro n SER 119 Ca 0.14 0.04 -0.09 0.00 -0.26 0.00 0.00 58.87 58.70 2yro n SER 119 Cb 0.31 -0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.71 2yro n SER 119 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2yro s LEU 120 N -5.32 1.72 0.09 1.04 -0.00 -1.25 -4.79 118.68 110.17 2yro s LEU 120 Ca -0.03 -0.58 0.03 0.00 -0.00 0.00 0.00 54.13 53.56 2yro s LEU 120 Cb 0.00 0.71 -0.04 0.00 -0.00 0.00 0.00 46.19 46.86 2yro s LEU 120 CO 0.04 -0.57 0.09 -1.61 -0.00 0.00 0.00 176.35 174.31 2yro s GLU 121 N -2.99 2.92 -0.32 1.48 8.01 -1.26 -3.64 118.70 122.89 2yro s GLU 121 Ca -0.02 -0.69 -0.01 0.00 0.01 0.00 0.00 54.97 54.26 2yro s GLU 121 Cb 0.01 -2.74 0.11 0.00 -4.31 0.00 0.00 34.13 27.20 2yro s GLU 121 CO -0.06 0.56 0.13 -0.47 0.01 0.00 0.00 175.26 175.42 2yro s TYR 122 N -1.43 1.46 0.25 1.61 6.14 -0.09 -5.02 117.35 120.28 2yro s TYR 122 Ca 0.30 -1.68 -0.19 0.00 0.64 0.00 0.00 57.07 56.13 2yro s TYR 122 Cb -0.12 -1.56 -0.13 0.00 0.42 0.00 0.00 41.96 40.57 2yro s TYR 122 CO 0.22 -0.86 0.22 1.17 0.64 0.00 0.00 175.55 176.95 2yro n LYS 123 N 4.71 0.00 -1.55 4.97 4.81 -1.26 0.32 118.16 130.15 2yro n LYS 123 Ca -0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 2yro n LYS 123 Cb 0.41 -0.81 -0.06 0.00 0.02 0.00 0.00 35.03 34.59 2yro n LYS 123 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2yro n HIS 124 N -0.46 1.24 -0.03 5.64 8.25 -1.25 -4.35 115.22 124.25 2yro n HIS 124 Ca 0.11 0.05 -0.14 0.00 -0.26 0.00 0.00 57.72 57.48 2yro n HIS 124 Cb 0.27 -2.57 -0.10 0.00 1.12 0.00 0.00 29.99 28.71 2yro n HIS 124 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2yro h ARG 125 N 15.69 0.14 -6.26 -0.41 9.65 -1.81 -3.42 114.38 127.96 2yro h ARG 125 Ca -0.10 -0.11 -0.59 0.00 -1.10 0.00 0.00 59.98 58.07 2yro h ARG 125 Cb 1.13 0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 29.63 2yro h ARG 125 CO 1.10 0.78 0.65 0.12 2.80 0.00 0.00 179.97 185.41 2yro s PHE 126 N -3.56 2.90 0.14 2.20 5.36 -1.26 -4.93 117.98 118.83 2yro s PHE 126 Ca -0.16 0.43 -0.22 0.00 -0.96 0.00 0.00 56.93 56.03 2yro s PHE 126 Cb 0.01 -4.07 -0.00 0.00 -0.34 0.00 0.00 43.02 38.63 2yro s PHE 126 CO 0.72 -1.14 1.66 0.87 -1.46 0.00 0.00 175.22 175.87 2yro h LYS 127 N 9.12 -0.18 -6.24 10.12 1.79 -1.98 -3.37 116.57 125.82 2yro h LYS 127 Ca -0.24 0.01 -0.55 0.00 -2.18 0.00 0.00 60.65 57.69 2yro h LYS 127 Cb 1.07 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.73 2yro h LYS 127 CO 1.05 -0.12 1.25 -2.00 -1.08 0.00 0.00 179.45 178.55 2yro s GLU 128 N -6.14 3.17 -0.06 3.15 2.56 -1.26 -4.82 118.70 115.30 2yro s GLU 128 Ca -0.14 1.03 0.10 0.00 0.00 0.00 0.00 54.97 55.96 2yro s GLU 128 Cb 0.11 -4.22 -0.24 0.00 2.00 0.00 0.00 34.13 31.79 2yro s GLU 128 CO 0.68 -2.06 0.61 1.28 -0.56 0.00 0.00 175.26 175.20 2yro n LEU 129 N 10.67 1.13 -1.10 2.70 4.77 -1.26 -3.96 117.00 129.95 2yro n LEU 129 Ca 0.20 0.38 -0.02 0.00 -0.03 0.00 0.00 56.01 56.54 2yro n LEU 129 Cb 0.49 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.63 2yro n LEU 129 CO 0.70 0.46 0.56 -0.24 -1.33 0.00 0.00 177.39 177.54 2yro n SER 130 N -3.11 2.73 -0.05 -1.43 2.88 -1.23 -3.47 113.62 109.94 2yro n SER 130 Ca -0.19 -2.33 -0.07 0.00 -1.33 0.00 0.00 58.87 54.94 2yro n SER 130 Cb 1.05 -0.57 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 2yro n SER 130 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yro n SER 131 N 0.12 2.99 -4.53 -3.46 2.88 -1.25 -4.79 113.62 105.57 2yro n SER 131 Ca 0.11 -0.04 -0.30 0.00 -1.33 0.00 0.00 58.87 57.31 2yro n SER 131 Cb 0.66 0.10 -0.10 0.00 -0.75 0.00 0.00 64.21 64.12 2yro n SER 131 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2yro n ILE 132 N -2.68 -0.03 -0.05 2.46 5.41 -1.24 -4.12 119.36 119.11 2yro n ILE 132 Ca -0.19 -0.49 -0.06 0.00 1.00 0.00 0.00 62.75 63.00 2yro n ILE 132 Cb 0.74 -1.65 -0.05 0.00 -0.71 0.00 0.00 39.64 37.98 2yro n ILE 132 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2yro n ASP 133 N 13.74 3.17 -4.85 4.38 8.00 -1.25 -2.07 116.55 137.67 2yro n ASP 133 Ca 0.51 -0.04 -0.35 0.00 0.71 0.00 0.00 54.79 55.62 2yro n ASP 133 Cb 0.33 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.39 2yro n ASP 133 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2yro s THR 134 N -2.20 4.86 -0.23 -3.53 2.01 -1.17 -0.00 115.64 115.38 2yro s THR 134 Ca -0.12 0.80 -0.03 0.00 0.31 0.00 0.00 61.69 62.65 2yro s THR 134 Cb 0.03 -3.72 0.07 0.00 0.01 0.00 0.00 72.50 68.89 2yro s THR 134 CO 0.25 0.21 0.07 -0.22 -0.69 0.00 0.00 174.62 174.25 2yro s LEU 135 N -2.04 1.10 -0.12 4.42 2.96 -0.99 -3.47 118.68 120.53 2yro s LEU 135 Ca 0.39 -1.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.22 2yro s LEU 135 Cb -0.15 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.97 2yro s LEU 135 CO 0.19 -0.36 0.10 -1.61 -1.32 0.00 0.00 176.35 173.35 2yro s GLU 136 N 1.91 3.45 -0.08 1.98 2.02 -0.69 -2.73 118.70 124.56 2yro s GLU 136 Ca 0.03 -0.22 -0.03 0.00 0.02 0.00 0.00 54.97 54.77 2yro s GLU 136 Cb -0.17 -3.12 0.05 0.00 0.10 0.00 0.00 34.13 30.99 2yro s GLU 136 CO -0.17 0.67 0.17 0.42 0.02 0.00 0.00 175.26 176.38 2yro s ILE 137 N -0.74 -0.18 0.30 -1.63 1.01 0.25 -1.28 121.20 118.93 2yro s ILE 137 Ca 0.13 0.27 0.03 0.00 0.00 0.00 0.00 60.65 61.08 2yro s ILE 137 Cb -0.12 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 2yro s ILE 137 CO 0.03 0.11 0.16 0.20 0.00 0.00 0.00 174.94 175.44 2yro s ASN 138 N 1.80 1.51 0.00 3.58 -0.87 -0.76 -0.27 114.94 119.92 2yro s ASN 138 Ca -0.03 -1.55 0.00 0.00 -1.57 0.00 0.00 52.86 49.71 2yro s ASN 138 Cb -0.12 0.38 0.00 0.00 -0.02 0.00 0.00 41.25 41.49 2yro s ASN 138 CO -0.06 -0.88 0.00 0.61 -2.57 0.00 0.00 177.10 174.20 2yro n GLY 139 N -0.58 0.84 2.36 0.66 0.00 -1.26 -1.10 105.19 106.11 2yro n GLY 139 Ca 0.01 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 2yro n GLY 139 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2yro n ASP 140 N 1.59 7.46 -4.54 1.61 -0.08 -1.23 -4.96 116.55 116.40 2yro n ASP 140 Ca 0.00 -3.79 -0.25 0.00 -1.51 0.00 0.00 54.79 49.24 2yro n ASP 140 Cb 0.00 -0.93 -0.10 0.00 2.34 0.00 0.00 41.12 42.43 2yro n ASP 140 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2yro s ILE 141 N -4.84 2.41 -0.37 5.18 -5.25 -1.26 -3.45 121.20 113.62 2yro s ILE 141 Ca 0.63 -2.22 -0.07 0.00 -0.99 0.00 0.00 60.65 58.00 2yro s ILE 141 Cb 0.50 -2.58 0.06 0.00 2.95 0.00 0.00 42.46 43.39 2yro s ILE 141 CO -0.04 -0.26 0.15 -2.28 -1.79 0.00 0.00 174.94 170.72 2yro s HIS 142 N -2.56 3.31 0.67 1.37 5.65 0.70 -4.92 115.29 119.51 2yro s HIS 142 Ca 0.32 -1.57 -0.13 0.00 0.25 0.00 0.00 55.06 53.92 2yro s HIS 142 Cb -0.00 -2.55 0.00 0.00 -1.18 0.00 0.00 32.58 28.85 2yro s HIS 142 CO 0.17 -0.79 1.08 -1.17 -0.65 0.00 0.00 174.74 173.38 2yro s LEU 143 N 1.37 3.30 0.10 8.88 2.96 -1.26 -1.20 118.68 132.84 2yro s LEU 143 Ca 0.00 1.83 0.00 0.00 -0.22 0.00 0.00 54.13 55.74 2yro s LEU 143 Cb -0.21 -4.53 0.00 0.00 0.50 0.00 0.00 46.19 41.95 2yro s LEU 143 CO 0.02 -1.52 0.00 0.18 -1.32 0.00 0.00 176.35 173.71 2yro n LEU 144 N -2.65 0.61 -3.55 -0.68 4.77 -0.72 -3.29 117.00 111.48 2yro n LEU 144 Ca 0.09 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 56.12 2yro n LEU 144 Cb 0.53 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 2yro n LEU 144 CO 0.50 -0.59 0.73 -0.70 -1.33 0.00 0.00 177.39 176.00 2yro s GLU 145 N -2.00 0.69 -0.11 3.23 2.56 -1.12 -4.05 118.70 117.90 2yro s GLU 145 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 54.97 55.04 2yro s GLU 145 Cb 0.00 0.32 0.01 0.00 2.00 0.00 0.00 34.13 36.46 2yro s GLU 145 CO 0.00 -0.24 -0.21 0.08 -0.56 0.00 0.00 175.26 174.33 2yro s VAL 146 N -1.66 1.87 0.17 3.70 1.01 -1.26 -1.97 120.40 122.25 2yro s VAL 146 Ca -0.01 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.19 2yro s VAL 146 Cb -0.01 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2yro s VAL 146 CO -0.01 0.52 -0.23 -0.13 0.00 0.00 0.00 175.10 175.25 2yro s ARG 147 N 0.57 1.41 -0.24 2.72 0.52 -1.16 -5.03 118.95 117.74 2yro s ARG 147 Ca -0.14 -1.44 -0.02 0.00 -0.52 0.00 0.00 55.73 53.61 2yro s ARG 147 Cb -0.17 -1.70 0.13 0.00 0.52 0.00 0.00 34.95 33.73 2yro s ARG 147 CO 0.05 0.37 0.34 -1.54 0.02 0.00 0.00 175.30 174.54 2yro s SER 148 N -2.51 0.63 0.07 0.23 1.04 -1.26 -1.10 113.70 110.80 2yro s SER 148 Ca 0.17 -0.02 0.06 0.00 0.48 0.00 0.00 55.95 56.64 2yro s SER 148 Cb -0.08 0.90 -0.03 0.00 0.10 0.00 0.00 66.02 66.91 2yro s SER 148 CO 0.08 -0.32 -0.17 -1.66 0.98 0.00 0.00 173.24 172.15 2yro s TRP 149 N 2.48 1.47 -0.05 5.02 -2.14 -0.57 -4.93 118.94 120.22 2yro s TRP 149 Ca 0.11 -0.41 0.03 0.00 2.66 0.00 0.00 56.10 58.49 2yro s TRP 149 Cb -0.15 -0.84 0.01 0.00 -3.10 0.00 0.00 33.47 29.39 2yro s TRP 149 CO -0.18 0.10 -0.13 -1.54 -2.66 0.00 0.00 176.95 172.54 2yro s SER 150 N -1.56 1.78 -0.20 -2.66 1.04 -1.26 -1.30 113.70 109.54 2yro s SER 150 Ca 0.03 -0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.14 2yro s SER 150 Cb -0.09 -0.63 -0.01 0.00 0.10 0.00 0.00 66.02 65.39 2yro s SER 150 CO 0.03 0.08 -0.07 -0.83 0.98 0.00 0.00 173.24 173.43 2yro s GLY 151 N 0.33 1.58 0.62 7.32 0.00 -1.26 -5.03 107.32 110.89 2yro s GLY 151 Ca -0.08 -1.10 -0.16 0.00 0.00 0.00 0.00 44.72 43.37 2yro s GLY 151 CO 0.02 0.28 1.12 2.56 0.00 0.00 0.00 173.10 177.08 2yro s PRO 152 N 1.20 2.97 0.09 2.90 0.04 -1.26 -5.03 135.00 135.91 2yro s PRO 152 Ca 0.02 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 62.25 2yro s PRO 152 Cb -0.14 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.51 2yro s PRO 152 CO -0.02 -1.12 0.95 -1.54 0.04 0.00 0.00 177.00 175.31 2yro s SER 153 N -2.34 -0.23 -0.02 6.66 1.04 -1.26 -5.09 113.70 112.46 2yro s SER 153 Ca 0.69 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.85 2yro s SER 153 Cb -0.21 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 2yro s SER 153 CO 0.37 -0.78 -0.03 -1.20 0.98 0.00 0.00 173.24 172.59 2yro n SER 154 N -0.40 0.34 -0.62 7.02 7.64 -1.26 -5.27 113.62 121.08 2yro n SER 154 Ca -0.07 0.02 0.13 0.00 1.01 0.00 0.00 58.87 59.97 2yro n SER 154 Cb 0.61 -0.06 0.40 0.00 -1.01 0.00 0.00 64.21 64.15 2yro n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64