#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p s LEU 10 N 0.00 3.53 -0.02 -1.84 1.43 -1.26 -3.91 118.68 116.60 2i2p s LEU 10 Ca 0.00 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 52.71 2i2p s LEU 10 Cb 0.00 -2.89 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 2i2p s LEU 10 CO 0.00 -1.55 0.54 -1.58 0.23 0.00 0.00 176.35 174.00 2i2p s GLN 11 N 4.98 4.25 -0.05 1.70 0.74 0.47 -4.93 119.66 126.82 2i2p s GLN 11 Ca 0.37 0.63 -0.02 0.00 0.05 0.00 0.00 55.36 56.40 2i2p s GLN 11 Cb -0.09 -3.33 0.03 0.00 1.10 0.00 0.00 33.01 30.72 2i2p s GLN 11 CO 0.20 0.40 0.04 -1.21 -0.55 0.00 0.00 175.29 174.18 2i2p s GLU 12 N -0.26 0.13 -0.01 1.67 2.02 -1.26 -2.66 118.70 118.32 2i2p s GLU 12 Ca 0.29 0.30 0.02 0.00 0.02 0.00 0.00 54.97 55.59 2i2p s GLU 12 Cb -0.18 -0.65 0.00 0.00 0.10 0.00 0.00 34.13 33.41 2i2p s GLU 12 CO 0.15 -0.32 -0.05 0.21 0.02 0.00 0.00 175.26 175.27 2i2p s LYS 13 N 2.11 0.53 0.73 1.61 2.20 -1.26 -5.08 119.74 120.58 2i2p s LYS 13 Ca 0.05 -0.17 -0.16 0.00 -0.36 0.00 0.00 55.97 55.34 2i2p s LYS 13 Cb -0.12 -0.53 0.04 0.00 -1.51 0.00 0.00 37.83 35.70 2i2p s LYS 13 CO -0.04 0.07 1.26 -0.11 -0.36 0.00 0.00 175.35 176.17 2i2p n LEU 14 N 3.23 5.29 -0.04 5.43 -0.00 -1.26 -3.94 117.00 125.71 2i2p n LEU 14 Ca -0.16 0.71 -0.08 0.00 -0.00 0.00 0.00 56.01 56.47 2i2p n LEU 14 Cb 0.56 -1.54 -0.04 0.00 -0.00 0.00 0.00 43.42 42.41 2i2p n LEU 14 CO 0.25 -1.33 -0.80 -0.38 -0.00 0.00 0.00 177.39 175.13 2i2p n ILE 15 N -2.61 0.50 -3.59 1.96 2.08 0.10 -4.96 119.36 112.84 2i2p n ILE 15 Ca 0.15 -0.15 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 2i2p n ILE 15 Cb 0.49 -1.26 -0.05 0.00 -0.75 0.00 0.00 39.64 38.08 2i2p n ILE 15 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2i2p s ALA 16 N -2.17 -1.99 -0.39 -1.39 0.00 -1.15 -4.88 121.76 109.80 2i2p s ALA 16 Ca -0.12 1.66 0.02 0.00 0.00 0.00 0.00 51.96 53.52 2i2p s ALA 16 Cb 0.04 -0.89 0.15 0.00 0.00 0.00 0.00 23.12 22.42 2i2p s ALA 16 CO 0.18 -0.31 0.28 0.54 0.00 0.00 0.00 175.76 176.45 2i2p s VAL 17 N -1.19 0.35 0.97 0.00 0.11 -1.26 -0.26 120.40 119.12 2i2p s VAL 17 Ca 0.02 -2.24 -0.15 0.00 -2.93 0.00 0.00 61.98 56.67 2i2p s VAL 17 Cb -0.01 -1.26 0.22 0.00 -1.53 0.00 0.00 36.38 33.80 2i2p s VAL 17 CO -0.02 -1.10 1.32 0.20 -3.33 0.00 0.00 175.10 172.17 2i2p s ASN 18 N 0.51 2.96 -0.20 3.54 -0.87 -0.88 -4.86 114.94 115.14 2i2p s ASN 18 Ca 0.25 0.08 -0.16 0.00 -1.57 0.00 0.00 52.86 51.46 2i2p s ASN 18 Cb -0.10 -0.06 -0.07 0.00 -0.02 0.00 0.00 41.25 41.00 2i2p s ASN 18 CO -0.09 -2.81 -0.32 -1.14 -2.57 0.00 0.00 177.10 170.16 2i2p n ARG 19 N -3.76 0.54 -1.38 -0.60 0.63 -1.26 -1.56 116.66 109.26 2i2p n ARG 19 Ca 0.17 0.26 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 2i2p n ARG 19 Cb 0.59 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 32.03 2i2p n ARG 19 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2i2p n VAL 20 N -4.43 -4.69 -3.56 5.15 0.31 -1.26 -1.62 118.33 108.23 2i2p n VAL 20 Ca -0.23 2.05 0.00 0.00 -0.01 0.00 0.00 64.34 66.15 2i2p n VAL 20 Cb 0.58 -2.84 0.00 0.00 -0.91 0.00 0.00 33.84 30.67 2i2p n VAL 20 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2i2p n SER 21 N -0.51 0.00 -3.64 4.52 3.41 -1.26 -1.82 113.62 114.32 2i2p n SER 21 Ca 0.00 -0.79 -0.03 0.00 -0.26 0.00 0.00 58.87 57.78 2i2p n SER 21 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2i2p n SER 21 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2i2p s LYS 22 N -1.38 0.28 0.33 4.33 2.20 -0.55 -4.89 119.74 120.05 2i2p s LYS 22 Ca 0.00 0.40 -0.08 0.00 -0.36 0.00 0.00 55.97 55.93 2i2p s LYS 22 Cb 0.00 0.10 -0.06 0.00 -1.51 0.00 0.00 37.83 36.36 2i2p s LYS 22 CO 0.00 -0.04 0.64 0.99 -0.36 0.00 0.00 175.35 176.58 2i2p s THR 23 N 0.69 4.91 0.35 3.43 2.01 -1.26 0.96 115.64 126.74 2i2p s THR 23 Ca -0.02 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.31 2i2p s THR 23 Cb -0.04 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.76 2i2p s THR 23 CO -0.12 -0.37 0.48 1.33 -0.69 0.00 0.00 174.62 175.25 2i2p n VAL 24 N -0.99 0.00 0.00 3.82 0.24 0.16 -4.85 118.33 116.71 2i2p n VAL 24 Ca 0.00 -1.84 0.00 0.00 -2.04 0.00 0.00 64.34 60.47 2i2p n VAL 24 Cb 0.54 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 34.02 2i2p n VAL 24 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2i2p n LYS 25 N -0.59 0.00 -0.03 7.34 4.81 -1.26 -2.70 118.16 125.74 2i2p n LYS 25 Ca 0.01 0.26 -0.11 0.00 -0.87 0.00 0.00 58.31 57.61 2i2p n LYS 25 Cb 0.59 -0.68 -0.05 0.00 0.02 0.00 0.00 35.03 34.91 2i2p n LYS 25 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2i2p h GLY 26 N 0.00 -0.53 0.00 3.14 0.00 -2.04 -3.47 103.07 100.18 2i2p h GLY 26 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.79 2i2p h GLY 26 CO 0.00 -0.22 0.00 0.61 0.00 0.00 0.00 176.54 176.93 2i2p n GLY 27 N -1.42 1.43 3.44 4.60 0.00 -1.10 -5.18 105.19 106.96 2i2p n GLY 27 Ca -0.03 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 2i2p n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2i2p s ARG 28 N 1.59 1.14 0.44 1.61 3.52 -1.26 0.39 118.95 126.38 2i2p s ARG 28 Ca 0.00 -0.19 0.03 0.00 -0.13 0.00 0.00 55.73 55.44 2i2p s ARG 28 Cb 0.00 0.53 -0.01 0.00 -1.56 0.00 0.00 34.95 33.91 2i2p s ARG 28 CO 0.00 -0.44 0.10 0.44 -0.81 0.00 0.00 175.30 174.59 2i2p n ILE 29 N 0.22 0.00 -3.84 4.11 -6.64 0.27 -4.88 119.36 108.60 2i2p n ILE 29 Ca -0.18 -2.39 -0.11 0.00 -1.77 0.00 0.00 62.75 58.30 2i2p n ILE 29 Cb 0.61 0.74 -0.09 0.00 -1.44 0.00 0.00 39.64 39.47 2i2p n ILE 29 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 2i2p s PHE 30 N -3.01 0.01 -0.43 4.28 0.40 -1.26 -1.49 117.98 116.47 2i2p s PHE 30 Ca 0.14 -0.11 0.05 0.00 -0.60 0.00 0.00 56.93 56.42 2i2p s PHE 30 Cb 0.01 -0.02 0.19 0.00 0.51 0.00 0.00 43.02 43.72 2i2p s PHE 30 CO 0.10 -0.36 0.47 0.45 0.70 0.00 0.00 175.22 176.59 2i2p n SER 31 N 1.15 -1.00 -3.59 1.36 2.88 -0.75 -4.59 113.62 109.08 2i2p n SER 31 Ca -0.21 -2.58 -0.43 0.00 -1.33 0.00 0.00 58.87 54.31 2i2p n SER 31 Cb 0.57 -0.05 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 2i2p n SER 31 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2i2p n PHE 32 N 2.50 0.08 -4.52 0.66 3.72 0.16 -4.21 117.46 115.84 2i2p n PHE 32 Ca 0.25 0.82 -0.34 0.00 -0.05 0.00 0.00 57.45 58.13 2i2p n PHE 32 Cb 0.51 -1.63 -0.11 0.00 -0.94 0.00 0.00 39.48 37.31 2i2p n PHE 32 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2i2p s THR 33 N -0.38 3.85 -0.10 4.37 -4.23 -0.60 -0.60 115.64 117.94 2i2p s THR 33 Ca 0.63 -0.41 0.03 0.00 -1.18 0.00 0.00 61.69 60.77 2i2p s THR 33 Cb -0.89 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 70.34 2i2p s THR 33 CO 0.46 0.57 -0.22 0.00 -0.54 0.00 0.00 174.62 174.89 2i2p s ALA 34 N -0.47 2.02 -0.14 3.99 0.00 0.11 -2.07 121.76 125.20 2i2p s ALA 34 Ca 0.07 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 2i2p s ALA 34 Cb -0.12 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 2i2p s ALA 34 CO 0.02 0.21 -0.09 -1.17 0.00 0.00 0.00 175.76 174.74 2i2p s LEU 35 N 0.47 2.96 0.05 0.00 0.20 0.63 -1.63 118.68 121.37 2i2p s LEU 35 Ca -0.16 -0.24 -0.20 0.00 0.69 0.00 0.00 54.13 54.22 2i2p s LEU 35 Cb -0.17 -1.69 0.04 0.00 -0.43 0.00 0.00 46.19 43.94 2i2p s LEU 35 CO 0.06 0.16 0.47 0.42 -0.29 0.00 0.00 176.35 177.18 2i2p s THR 36 N 0.38 0.04 0.33 3.68 -4.23 -1.25 0.03 115.64 114.62 2i2p s THR 36 Ca -0.07 -0.35 0.03 0.00 -1.18 0.00 0.00 61.69 60.12 2i2p s THR 36 Cb -0.15 -0.97 -0.06 0.00 1.34 0.00 0.00 72.50 72.66 2i2p s THR 36 CO 0.04 -0.19 0.07 0.68 -0.54 0.00 0.00 174.62 174.68 2i2p s VAL 37 N -2.55 1.05 0.08 2.29 -7.23 -1.25 -0.53 120.40 112.26 2i2p s VAL 37 Ca -0.05 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.07 2i2p s VAL 37 Cb -0.01 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 2i2p s VAL 37 CO -0.03 0.00 0.09 -0.69 -0.31 0.00 0.00 175.10 174.17 2i2p s VAL 38 N -3.34 0.17 0.00 1.32 1.01 -0.50 -3.99 120.40 115.07 2i2p s VAL 38 Ca 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.84 2i2p s VAL 38 Cb 0.08 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.99 2i2p s VAL 38 CO 0.15 -0.78 0.00 0.61 0.00 0.00 0.00 175.10 175.08 2i2p n GLY 39 N 0.01 1.52 3.48 4.51 0.00 -1.09 0.14 105.19 113.76 2i2p n GLY 39 Ca -0.14 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 2i2p n GLY 39 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2i2p s ASP 40 N 0.00 3.81 0.46 1.61 -4.77 -1.12 -0.39 116.67 116.27 2i2p s ASP 40 Ca 0.00 -0.61 0.32 0.00 -3.30 0.00 0.00 52.55 48.96 2i2p s ASP 40 Cb 0.00 -0.50 1.45 0.00 -1.09 0.00 0.00 42.92 42.78 2i2p s ASP 40 CO 0.00 0.16 1.64 1.23 0.70 0.00 0.00 175.17 178.90 2i2p h GLY 41 N 3.61 1.06 0.03 2.12 0.00 -1.73 -1.82 103.07 106.34 2i2p h GLY 41 Ca -0.49 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 46.75 2i2p h GLY 41 CO 0.46 -0.31 -0.33 -0.57 0.00 0.00 0.00 176.54 175.80 2i2p h ASN 42 N 0.09 -1.00 0.00 0.19 -0.73 -1.91 -3.36 115.58 108.87 2i2p h ASN 42 Ca 0.80 0.11 0.00 0.00 1.87 0.00 0.00 56.30 59.08 2i2p h ASN 42 Cb 2.62 0.37 0.00 0.00 0.27 0.00 0.00 38.32 41.58 2i2p h ASN 42 CO -0.34 -0.33 0.00 0.61 -0.37 0.00 0.00 177.43 177.01 2i2p n GLY 43 N -1.29 0.00 3.88 1.57 0.00 -0.68 -4.83 105.19 103.85 2i2p n GLY 43 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2i2p n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i2p s ARG 44 N 0.00 3.68 -0.00 1.61 3.00 -1.23 -0.77 118.95 125.23 2i2p s ARG 44 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 55.73 55.77 2i2p s ARG 44 Cb 0.00 -2.97 0.01 0.00 0.00 0.00 0.00 34.95 31.99 2i2p s ARG 44 CO 0.00 0.55 0.01 0.08 0.00 0.00 0.00 175.30 175.94 2i2p s VAL 45 N -1.46 -0.01 -0.36 3.52 1.01 0.67 -2.80 120.40 120.97 2i2p s VAL 45 Ca 0.34 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.42 2i2p s VAL 45 Cb -0.13 -0.02 0.17 0.00 0.00 0.00 0.00 36.38 36.40 2i2p s VAL 45 CO 0.20 0.01 0.52 -0.83 0.00 0.00 0.00 175.10 175.01 2i2p s GLY 46 N 0.18 -0.84 0.98 4.51 0.00 0.12 -0.76 107.32 111.51 2i2p s GLY 46 Ca -0.01 0.04 -0.17 0.00 0.00 0.00 0.00 44.72 44.58 2i2p s GLY 46 CO -0.01 3.34 1.12 1.97 0.00 0.00 0.00 173.10 179.52 2i2p n PHE 47 N 4.68 -3.93 -3.36 1.90 -1.74 -1.26 -1.41 117.46 112.33 2i2p n PHE 47 Ca 0.08 -1.00 -0.00 0.00 -0.56 0.00 0.00 57.45 55.97 2i2p n PHE 47 Cb 0.52 -0.97 0.00 0.00 1.52 0.00 0.00 39.48 40.55 2i2p n PHE 47 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2i2p n GLY 48 N -3.36 1.41 3.64 4.97 0.00 0.31 -4.10 105.19 108.06 2i2p n GLY 48 Ca 0.15 -0.95 -0.00 0.00 0.00 0.00 0.00 46.02 45.22 2i2p n GLY 48 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2i2p s TYR 49 N -6.43 -0.33 0.29 1.61 6.04 -1.26 -3.85 117.35 113.42 2i2p s TYR 49 Ca 0.01 0.66 -0.02 0.00 0.04 0.00 0.00 57.07 57.75 2i2p s TYR 49 Cb -0.00 0.20 -0.01 0.00 -1.04 0.00 0.00 41.96 41.10 2i2p s TYR 49 CO 0.00 -0.16 0.36 0.20 -1.54 0.00 0.00 175.55 174.41 2i2p s GLY 50 N 1.21 1.44 0.12 8.97 0.00 -0.65 -4.68 107.32 113.72 2i2p s GLY 50 Ca -0.09 -1.53 -0.21 0.00 0.00 0.00 0.00 44.72 42.89 2i2p s GLY 50 CO -0.12 -1.10 0.53 -1.59 0.00 0.00 0.00 173.10 170.81 2i2p s LYS 51 N -3.57 1.16 0.14 2.90 -2.85 -1.26 0.06 119.74 116.32 2i2p s LYS 51 Ca 0.33 -0.45 -0.11 0.00 -1.00 0.00 0.00 55.97 54.74 2i2p s LYS 51 Cb 0.02 0.53 0.04 0.00 -2.06 0.00 0.00 37.83 36.35 2i2p s LYS 51 CO 0.17 -0.47 0.53 0.00 0.10 0.00 0.00 175.35 175.68 2i2p n ALA 52 N -0.11 -1.33 1.66 0.59 0.00 0.23 -4.73 120.51 116.80 2i2p n ALA 52 Ca -0.17 -0.61 0.15 0.00 0.00 0.00 0.00 53.44 52.81 2i2p n ALA 52 Cb 0.63 0.39 0.74 0.00 0.00 0.00 0.00 19.45 21.21 2i2p n ALA 52 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2i2p n ARG 53 N -0.37 0.98 -3.95 0.00 3.00 -1.26 0.36 116.66 115.42 2i2p n ARG 53 Ca -0.02 -0.27 -0.10 0.00 -0.00 0.00 0.00 57.85 57.46 2i2p n ARG 53 Cb 0.32 -1.49 -0.12 0.00 0.00 0.00 0.00 32.46 31.17 2i2p n ARG 53 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2i2p s GLU 54 N -2.21 0.25 0.16 -0.14 2.02 -1.26 -4.78 118.70 112.75 2i2p s GLU 54 Ca 0.38 -0.46 -0.17 0.00 0.02 0.00 0.00 54.97 54.74 2i2p s GLU 54 Cb 0.21 0.09 0.09 0.00 0.10 0.00 0.00 34.13 34.62 2i2p s GLU 54 CO 0.41 -0.04 1.68 0.28 0.02 0.00 0.00 175.26 177.60 2i2p h VAL 55 N 4.73 0.65 0.32 2.63 2.07 -1.92 -2.39 116.25 122.34 2i2p h VAL 55 Ca -0.30 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2i2p h VAL 55 Cb 1.21 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2i2p h VAL 55 CO 0.43 0.01 -0.15 1.55 0.02 0.00 0.00 177.57 179.43 2i2p h PRO 56 N 0.04 -0.41 -0.93 1.57 0.13 -1.98 -0.83 132.00 129.58 2i2p h PRO 56 Ca 0.19 0.03 0.27 0.00 -0.87 0.00 0.00 66.00 65.61 2i2p h PRO 56 Cb 0.28 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.46 2i2p h PRO 56 CO -0.36 -0.15 0.95 0.00 -0.23 0.00 0.00 178.00 178.21 2i2p h ALA 57 N -0.83 2.79 0.06 -0.56 0.00 -1.98 0.19 119.26 118.94 2i2p h ALA 57 Ca -0.04 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.47 2i2p h ALA 57 Cb 0.45 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2i2p h ALA 57 CO 0.07 -1.44 -2.06 0.00 0.00 0.00 0.00 179.25 175.82 2i2p n ALA 58 N -2.38 1.05 -0.31 0.00 0.00 -0.90 -4.00 120.51 113.96 2i2p n ALA 58 Ca 0.20 -0.76 0.14 0.00 0.00 0.00 0.00 53.44 53.02 2i2p n ALA 58 Cb 1.26 -0.42 0.37 0.00 0.00 0.00 0.00 19.45 20.66 2i2p n ALA 58 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2i2p h ILE 59 N -0.24 0.75 -0.04 0.00 6.09 0.87 -1.68 117.51 123.25 2i2p h ILE 59 Ca -0.48 -0.23 -0.01 0.00 -1.37 0.00 0.00 64.86 62.76 2i2p h ILE 59 Cb 1.83 0.01 -0.00 0.00 0.47 0.00 0.00 36.82 39.13 2i2p h ILE 59 CO -0.06 0.12 -0.00 0.06 -3.07 0.00 0.00 178.15 175.20 2i2p h GLN 60 N 0.68 0.08 -0.59 2.19 3.07 -1.50 -2.76 115.11 116.29 2i2p h GLN 60 Ca 0.52 -0.03 0.09 0.00 0.09 0.00 0.00 58.65 59.32 2i2p h GLN 60 Cb 0.89 -0.01 -0.07 0.00 0.08 0.00 0.00 27.48 28.38 2i2p h GLN 60 CO -0.28 0.39 0.20 0.87 0.09 0.00 0.00 178.83 180.10 2i2p h LYS 61 N -0.24 0.36 0.20 0.06 1.57 -1.46 0.04 116.57 117.10 2i2p h LYS 61 Ca 0.01 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2i2p h LYS 61 Cb 0.36 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2i2p h LYS 61 CO 0.00 0.24 -0.29 0.00 -0.57 0.00 0.00 179.45 178.83 2i2p h ALA 62 N 1.42 -0.55 0.01 3.86 0.00 -1.36 -1.12 119.26 121.52 2i2p h ALA 62 Ca 0.30 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2i2p h ALA 62 Cb 0.38 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2i2p h ALA 62 CO -0.32 -0.85 -0.13 0.52 0.00 0.00 0.00 179.25 178.47 2i2p h MET 63 N -0.56 -0.22 -0.43 0.00 2.86 -1.14 -0.44 114.93 115.01 2i2p h MET 63 Ca 0.01 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.75 2i2p h MET 63 Cb 0.55 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.17 2i2p h MET 63 CO -0.12 -0.15 -0.15 1.49 1.06 0.00 0.00 176.91 179.04 2i2p h GLU 64 N -0.23 -0.06 0.00 1.72 4.81 -0.81 0.88 114.58 120.89 2i2p h GLU 64 Ca 0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2i2p h GLU 64 Cb 0.28 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 2i2p h GLU 64 CO -0.13 -0.04 -0.11 0.87 -0.73 0.00 0.00 179.01 178.87 2i2p h LYS 65 N -0.06 0.00 0.03 1.92 1.57 -0.93 -2.66 116.57 116.43 2i2p h LYS 65 Ca 0.21 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2i2p h LYS 65 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2i2p h LYS 65 CO -0.47 0.11 -0.01 0.00 -0.57 0.00 0.00 179.45 178.50 2i2p h ALA 66 N 1.89 -0.04 0.00 3.86 0.00 0.17 -3.21 119.26 121.94 2i2p h ALA 66 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2i2p h ALA 66 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2i2p h ALA 66 CO 0.01 -0.09 0.21 0.00 0.00 0.00 0.00 179.25 179.39 2i2p h ARG 67 N -0.90 0.00 -6.23 0.00 -0.00 0.67 -3.40 114.38 104.52 2i2p h ARG 67 Ca -0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.98 58.92 2i2p h ARG 67 Cb 0.72 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 30.61 2i2p h ARG 67 CO 0.01 0.00 -0.59 0.50 0.00 0.00 0.00 179.97 179.89 2i2p s ARG 68 N -3.98 2.69 -0.37 0.04 3.00 -1.02 -4.81 118.95 114.51 2i2p s ARG 68 Ca -0.03 -1.07 -0.10 0.00 -1.00 0.00 0.00 55.73 53.53 2i2p s ARG 68 Cb 0.09 -2.47 0.01 0.00 0.00 0.00 0.00 34.95 32.58 2i2p s ARG 68 CO 0.29 0.43 0.33 0.09 0.00 0.00 0.00 175.30 176.44 2i2p n ASN 69 N -0.63 -7.90 -4.21 -2.12 3.02 -1.26 -4.84 115.26 97.31 2i2p n ASN 69 Ca -0.08 0.90 -0.12 0.00 -0.03 0.00 0.00 54.58 55.25 2i2p n ASN 69 Cb 0.56 -5.19 -0.10 0.00 -0.61 0.00 0.00 39.78 34.45 2i2p n ASN 69 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2i2p s MET 70 N -2.15 1.13 0.08 3.52 -1.94 -1.26 -4.63 119.30 114.05 2i2p s MET 70 Ca 0.14 -1.57 0.03 0.00 -1.71 0.00 0.00 55.69 52.59 2i2p s MET 70 Cb -0.04 0.05 -0.03 0.00 2.01 0.00 0.00 34.83 36.82 2i2p s MET 70 CO 0.76 -0.27 -0.10 -1.50 -0.01 0.00 0.00 175.02 173.90 2i2p s ILE 71 N -3.94 0.86 0.33 2.53 2.07 0.06 -4.98 121.20 118.13 2i2p s ILE 71 Ca 0.31 -1.50 0.07 0.00 -1.41 0.00 0.00 60.65 58.12 2i2p s ILE 71 Cb 0.07 -1.19 -0.02 0.00 0.13 0.00 0.00 42.46 41.45 2i2p s ILE 71 CO 0.07 -0.50 0.33 0.54 -1.91 0.00 0.00 174.94 173.47 2i2p s ASN 72 N -2.21 5.49 0.14 4.50 4.22 -1.26 -0.24 114.94 125.58 2i2p s ASN 72 Ca 0.02 -0.39 0.07 0.00 -2.14 0.00 0.00 52.86 50.41 2i2p s ASN 72 Cb -0.05 -1.09 -0.04 0.00 1.28 0.00 0.00 41.25 41.36 2i2p s ASN 72 CO 0.00 -0.34 -0.16 -0.69 -2.04 0.00 0.00 177.10 173.87 2i2p s VAL 73 N -2.25 1.54 -0.12 3.54 1.01 0.05 -4.90 120.40 119.26 2i2p s VAL 73 Ca 0.41 -1.79 -0.01 0.00 0.00 0.00 0.00 61.98 60.60 2i2p s VAL 73 Cb -0.07 -1.65 0.06 0.00 0.00 0.00 0.00 36.38 34.72 2i2p s VAL 73 CO 0.28 -0.36 2.11 0.00 0.00 0.00 0.00 175.10 177.13 2i2p n ALA 74 N 0.47 4.56 -1.55 5.51 0.00 -1.25 -4.80 120.51 123.45 2i2p n ALA 74 Ca -0.15 -0.73 -0.51 0.00 0.00 0.00 0.00 53.44 52.06 2i2p n ALA 74 Cb 0.57 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 2i2p n ALA 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2i2p n LEU 75 N 1.16 1.07 0.00 0.00 0.00 -1.26 -4.78 117.00 113.18 2i2p n LEU 75 Ca 0.14 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.28 2i2p n LEU 75 Cb 0.55 -1.14 0.00 0.00 0.00 0.00 0.00 43.42 42.83 2i2p n LEU 75 CO 0.14 -1.49 0.00 -3.20 0.00 0.00 0.00 177.39 172.84 2i2p n ASN 76 N 2.02 0.00 -0.17 1.96 5.15 -1.26 -4.91 115.26 118.06 2i2p n ASN 76 Ca 0.17 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.12 2i2p n ASN 76 Cb 0.21 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.50 2i2p n ASN 76 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 2i2p h ASN 77 N 0.00 -0.54 0.00 1.20 4.21 -1.94 -3.42 115.58 115.09 2i2p h ASN 77 Ca 0.00 0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.67 2i2p h ASN 77 Cb 0.00 0.35 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2i2p h ASN 77 CO 0.00 -0.19 0.00 0.61 -1.29 0.00 0.00 177.43 176.56 2i2p n GLY 78 N -1.38 0.00 0.00 2.83 0.00 -1.26 -5.03 105.19 100.34 2i2p n GLY 78 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2i2p n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2i2p n THR 79 N -0.20 0.00 0.00 2.61 5.66 -1.26 -0.61 114.28 120.47 2i2p n THR 79 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2i2p n THR 79 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2i2p n THR 79 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2i2p n LEU 80 N 0.00 0.00 0.00 1.09 4.77 -1.26 -4.16 117.00 117.43 2i2p n LEU 80 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2i2p n LEU 80 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2i2p n LEU 80 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 2i2p n GLN 81 N 0.00 0.00 -2.85 3.23 -0.00 -1.26 -4.37 117.38 112.12 2i2p n GLN 81 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 56.80 2i2p n GLN 81 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 30.24 30.26 2i2p n GLN 81 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.06 173.68 2i2p s HIS 82 N -0.32 2.94 -0.62 2.61 -3.43 -1.26 -4.76 115.29 110.46 2i2p s HIS 82 Ca 0.00 -0.06 -0.26 0.00 -0.80 0.00 0.00 55.06 53.94 2i2p s HIS 82 Cb 0.00 -2.53 -0.06 0.00 -1.43 0.00 0.00 32.58 28.57 2i2p s HIS 82 CO 0.00 -0.61 2.17 -1.25 -2.00 0.00 0.00 174.74 173.05 2i2p s PRO 83 N -4.59 2.26 0.33 -0.38 0.04 -1.26 -4.75 135.00 126.65 2i2p s PRO 83 Ca 0.54 0.83 -0.26 0.00 0.04 0.00 0.00 61.00 62.15 2i2p s PRO 83 Cb -0.10 -4.59 -0.10 0.00 0.04 0.00 0.00 34.50 29.75 2i2p s PRO 83 CO 0.37 -3.25 0.95 0.54 0.04 0.00 0.00 177.00 175.64 2i2p s VAL 84 N 11.23 4.20 -0.29 -0.36 0.11 -1.08 -4.98 120.40 129.22 2i2p s VAL 84 Ca 0.83 1.79 -0.00 0.00 -2.93 0.00 0.00 61.98 61.67 2i2p s VAL 84 Cb -0.14 -3.98 0.19 0.00 -1.53 0.00 0.00 36.38 30.93 2i2p s VAL 84 CO 0.19 0.11 0.75 -0.75 -3.33 0.00 0.00 175.10 172.07 2i2p s LYS 85 N -2.13 0.42 -0.06 1.54 2.20 -1.26 -1.43 119.74 119.02 2i2p s LYS 85 Ca 0.51 0.45 0.03 0.00 -0.36 0.00 0.00 55.97 56.60 2i2p s LYS 85 Cb -0.18 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.32 2i2p s LYS 85 CO 0.23 -0.75 -0.12 0.20 -0.36 0.00 0.00 175.35 174.56 2i2p s GLY 86 N 2.88 1.58 0.13 5.54 0.00 -1.18 -4.56 107.32 111.70 2i2p s GLY 86 Ca 0.16 -0.95 0.09 0.00 0.00 0.00 0.00 44.72 44.02 2i2p s GLY 86 CO -0.24 -0.71 -0.21 -1.34 0.00 0.00 0.00 173.10 170.60 2i2p s VAL 87 N -0.69 1.88 -0.30 1.40 -7.23 -1.25 -3.13 120.40 111.09 2i2p s VAL 87 Ca 0.11 -1.73 -0.14 0.00 -1.81 0.00 0.00 61.98 58.40 2i2p s VAL 87 Cb -0.11 -1.76 0.14 0.00 0.56 0.00 0.00 36.38 35.22 2i2p s VAL 87 CO 0.01 -0.12 0.86 -2.28 -0.31 0.00 0.00 175.10 173.26 2i2p s HIS 88 N -1.46 -0.88 0.00 2.82 2.46 -1.17 -4.86 115.29 112.20 2i2p s HIS 88 Ca 0.12 1.59 0.00 0.00 0.47 0.00 0.00 55.06 57.23 2i2p s HIS 88 Cb -0.09 0.53 0.00 0.00 -0.13 0.00 0.00 32.58 32.89 2i2p s HIS 88 CO 0.06 -0.44 0.00 2.41 -2.47 0.00 0.00 174.74 174.30 2i2p n THR 89 N 4.80 0.00 -3.09 0.89 -1.04 -1.26 -3.69 114.28 110.89 2i2p n THR 89 Ca -0.13 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.48 2i2p n THR 89 Cb 0.53 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.04 2i2p n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2i2p n GLY 90 N 0.00 5.07 3.65 3.41 0.00 -1.26 -4.94 105.19 111.12 2i2p n GLY 90 Ca 0.00 -2.68 -0.01 0.00 0.00 0.00 0.00 46.02 43.33 2i2p n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2i2p s SER 91 N -1.74 -0.26 -0.13 1.61 0.15 -1.24 -2.22 113.70 109.87 2i2p s SER 91 Ca 0.32 0.44 0.02 0.00 0.70 0.00 0.00 55.95 57.43 2i2p s SER 91 Cb 0.06 0.94 -0.00 0.00 -1.71 0.00 0.00 66.02 65.30 2i2p s SER 91 CO 0.08 -0.07 -0.19 -0.13 1.20 0.00 0.00 173.24 174.13 2i2p s ARG 92 N 0.91 3.17 0.04 5.44 0.52 -1.26 -3.05 118.95 124.72 2i2p s ARG 92 Ca -0.05 -0.80 0.07 0.00 -0.52 0.00 0.00 55.73 54.43 2i2p s ARG 92 Cb -0.03 -2.48 -0.02 0.00 0.52 0.00 0.00 34.95 32.94 2i2p s ARG 92 CO -0.12 0.12 -0.20 0.08 0.02 0.00 0.00 175.30 175.20 2i2p s VAL 93 N 0.52 1.59 -0.05 3.52 1.01 -1.18 0.10 120.40 125.91 2i2p s VAL 93 Ca -0.12 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 60.75 2i2p s VAL 93 Cb -0.17 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2i2p s VAL 93 CO 0.05 0.20 -0.13 0.12 0.00 0.00 0.00 175.10 175.34 2i2p s PHE 94 N -0.77 1.43 -0.08 5.22 2.19 0.37 -3.13 117.98 123.21 2i2p s PHE 94 Ca 0.07 -0.45 0.03 0.00 0.33 0.00 0.00 56.93 56.91 2i2p s PHE 94 Cb -0.09 -1.01 0.01 0.00 -1.31 0.00 0.00 43.02 40.63 2i2p s PHE 94 CO 0.01 -0.19 -0.15 -1.64 1.83 0.00 0.00 175.22 175.08 2i2p s MET 95 N 0.32 2.09 0.07 10.12 -1.94 -0.52 -0.49 119.30 128.95 2i2p s MET 95 Ca -0.08 -0.54 0.08 0.00 -1.71 0.00 0.00 55.69 53.44 2i2p s MET 95 Cb -0.12 -1.68 -0.04 0.00 2.01 0.00 0.00 34.83 35.00 2i2p s MET 95 CO 0.02 0.05 -0.17 -1.14 -0.01 0.00 0.00 175.02 173.77 2i2p s GLN 96 N 0.63 1.98 -0.47 2.03 0.74 -0.87 -2.63 119.66 121.07 2i2p s GLN 96 Ca -0.15 -1.05 -0.28 0.00 0.05 0.00 0.00 55.36 53.93 2i2p s GLN 96 Cb -0.16 -2.18 0.01 0.00 1.10 0.00 0.00 33.01 31.78 2i2p s GLN 96 CO 0.04 0.52 1.47 -1.25 -0.55 0.00 0.00 175.29 175.51 2i2p s PRO 97 N -1.77 3.40 -0.26 1.67 0.04 -1.26 -2.67 135.00 134.15 2i2p s PRO 97 Ca 0.17 0.77 -0.22 0.00 0.04 0.00 0.00 61.00 61.76 2i2p s PRO 97 Cb -0.11 -4.09 -0.01 0.00 0.04 0.00 0.00 34.50 30.33 2i2p s PRO 97 CO 0.08 -1.79 0.73 0.00 0.04 0.00 0.00 177.00 176.06 2i2p s ALA 98 N 5.98 3.61 0.92 8.56 0.00 -1.23 -4.90 121.76 134.70 2i2p s ALA 98 Ca 0.60 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.12 2i2p s ALA 98 Cb -0.13 -3.17 0.08 0.00 0.00 0.00 0.00 23.12 19.89 2i2p s ALA 98 CO 0.29 -0.92 0.73 0.43 0.00 0.00 0.00 175.76 176.30 2i2p n SER 99 N 5.90 -0.97 -4.62 0.00 7.64 -1.26 -4.42 113.62 115.88 2i2p n SER 99 Ca 0.02 0.39 -0.46 0.00 1.01 0.00 0.00 58.87 59.83 2i2p n SER 99 Cb 0.48 -1.32 -0.03 0.00 -1.01 0.00 0.00 64.21 62.33 2i2p n SER 99 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2i2p n GLU 100 N -2.68 1.54 0.00 1.43 4.07 -1.26 -2.77 120.64 120.96 2i2p n GLU 100 Ca 0.09 0.55 0.00 0.00 -0.06 0.00 0.00 57.16 57.74 2i2p n GLU 100 Cb 0.53 -2.07 0.00 0.00 -0.06 0.00 0.00 31.44 29.84 2i2p n GLU 100 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2i2p n GLY 101 N 1.80 3.13 3.56 8.31 0.00 -1.26 -5.01 105.19 115.71 2i2p n GLY 101 Ca 0.12 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 2i2p n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i2p s THR 102 N 0.00 3.57 1.14 2.61 -4.23 -1.12 -4.97 115.64 112.64 2i2p s THR 102 Ca 0.00 -0.16 -0.18 0.00 -1.18 0.00 0.00 61.69 60.17 2i2p s THR 102 Cb 0.00 -4.36 0.14 0.00 1.34 0.00 0.00 72.50 69.62 2i2p s THR 102 CO 0.00 -1.30 0.15 0.61 -0.54 0.00 0.00 174.62 173.53 2i2p n GLY 103 N 6.29 -2.52 3.66 3.99 0.00 -1.26 -3.57 105.19 111.78 2i2p n GLY 103 Ca 0.27 -0.86 -0.54 0.00 0.00 0.00 0.00 46.02 44.89 2i2p n GLY 103 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2i2p n ILE 104 N -4.56 0.39 -3.71 -0.61 0.13 -0.19 -3.87 119.36 106.93 2i2p n ILE 104 Ca 0.01 -0.10 -0.37 0.00 -1.10 0.00 0.00 62.75 61.20 2i2p n ILE 104 Cb 0.59 -1.51 -0.09 0.00 -0.84 0.00 0.00 39.64 37.80 2i2p n ILE 104 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 2i2p s ILE 105 N 4.29 3.77 0.08 9.51 1.01 0.60 -4.87 121.20 135.60 2i2p s ILE 105 Ca 0.98 -2.93 -0.07 0.00 0.00 0.00 0.00 60.65 58.64 2i2p s ILE 105 Cb -0.92 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.08 2i2p s ILE 105 CO 0.59 -0.88 0.14 0.00 0.00 0.00 0.00 174.94 174.79 2i2p s ALA 106 N -0.04 -0.01 0.00 9.38 0.00 -1.26 -1.21 121.76 128.63 2i2p s ALA 106 Ca 0.17 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2i2p s ALA 106 Cb -0.20 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.38 2i2p s ALA 106 CO -0.04 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.65 2i2p n GLY 107 N -0.03 1.21 0.00 0.00 0.00 -1.26 -4.72 105.19 100.39 2i2p n GLY 107 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2i2p n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2p n GLY 108 N 4.42 0.91 0.31 -0.02 0.00 -1.26 -4.34 105.19 105.21 2i2p n GLY 108 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2i2p n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2p h ALA 109 N -2.00 -0.21 0.00 4.61 0.00 -1.93 -0.73 119.26 119.00 2i2p h ALA 109 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2i2p h ALA 109 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2i2p h ALA 109 CO 0.00 -0.72 0.40 0.00 0.00 0.00 0.00 179.25 178.93 2i2p n MET 110 N -5.40 0.07 -0.01 0.00 -0.00 -1.26 -1.54 117.12 108.97 2i2p n MET 110 Ca -0.01 0.52 -0.01 0.00 -0.00 0.00 0.00 57.70 58.21 2i2p n MET 110 Cb 0.32 -2.12 -0.00 0.00 -0.00 0.00 0.00 33.22 31.42 2i2p n MET 110 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 2i2p h ARG 111 N 0.00 0.00 -0.96 3.17 2.43 -1.32 -3.37 114.38 114.34 2i2p h ARG 111 Ca 0.00 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.34 2i2p h ARG 111 Cb 0.81 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.27 2i2p h ARG 111 CO 0.00 0.00 0.61 0.00 -1.51 0.00 0.00 179.97 179.07 2i2p h ALA 112 N -1.76 1.79 0.00 2.80 0.00 -1.41 0.65 119.26 121.33 2i2p h ALA 112 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2i2p h ALA 112 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2i2p h ALA 112 CO 0.00 -0.09 0.00 1.33 0.00 0.00 0.00 179.25 180.49 2i2p n VAL 113 N -4.63 0.00 -0.00 0.00 0.24 -0.59 -3.34 118.33 110.00 2i2p n VAL 113 Ca 0.20 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.50 2i2p n VAL 113 Cb 0.53 -0.55 -0.00 0.00 -1.47 0.00 0.00 33.84 32.35 2i2p n VAL 113 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2i2p n LEU 114 N -0.80 2.56 0.00 1.34 4.77 0.20 -4.08 117.00 120.98 2i2p n LEU 114 Ca 0.07 -0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.09 2i2p n LEU 114 Cb 0.03 -0.02 0.21 0.00 -2.33 0.00 0.00 43.42 41.32 2i2p n LEU 114 CO 0.05 0.44 0.43 -0.62 -1.33 0.00 0.00 177.39 176.36 2i2p n GLU 115 N -2.44 0.24 0.00 3.23 1.02 -1.07 -1.13 120.64 120.49 2i2p n GLU 115 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2i2p n GLU 115 Cb 0.51 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 2i2p n GLU 115 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2i2p n VAL 116 N -0.96 0.00 2.00 2.62 0.24 -1.25 -4.66 118.33 116.31 2i2p n VAL 116 Ca 0.05 -0.13 0.15 0.00 -2.04 0.00 0.00 64.34 62.37 2i2p n VAL 116 Cb 0.02 0.60 0.89 0.00 -1.47 0.00 0.00 33.84 33.88 2i2p n VAL 116 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i2p n ALA 117 N -0.85 2.68 0.00 2.33 0.00 -0.28 -3.55 120.51 120.84 2i2p n ALA 117 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2i2p n ALA 117 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 2i2p n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i2p n GLY 118 N 0.97 3.11 3.68 0.00 0.00 -1.18 -4.08 105.19 107.69 2i2p n GLY 118 Ca 0.22 -0.89 -0.47 0.00 0.00 0.00 0.00 46.02 44.88 2i2p n GLY 118 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2i2p n VAL 119 N 0.00 0.49 -0.13 1.61 0.24 -1.23 -4.88 118.33 114.43 2i2p n VAL 119 Ca 0.00 -0.09 -0.25 0.00 -2.04 0.00 0.00 64.34 61.97 2i2p n VAL 119 Cb 0.00 -1.86 -0.11 0.00 -1.47 0.00 0.00 33.84 30.40 2i2p n VAL 119 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2i2p n HIS 120 N 6.13 0.00 -4.07 6.34 -0.00 0.22 -4.12 115.22 119.72 2i2p n HIS 120 Ca 0.21 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.61 2i2p n HIS 120 Cb 0.31 -0.98 -0.15 0.00 -0.00 0.00 0.00 29.99 29.16 2i2p n HIS 120 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2i2p s ASN 121 N -7.06 4.39 -0.23 0.41 6.03 -1.25 -1.02 114.94 116.20 2i2p s ASN 121 Ca -0.37 -1.37 -0.26 0.00 -1.03 0.00 0.00 52.86 49.83 2i2p s ASN 121 Cb 0.12 -1.53 0.09 0.00 -3.03 0.00 0.00 41.25 36.90 2i2p s ASN 121 CO 0.53 -0.19 0.81 0.68 -2.03 0.00 0.00 177.10 176.89 2i2p s VAL 122 N 1.12 0.00 -0.26 3.54 -7.23 -1.23 -3.53 120.40 112.80 2i2p s VAL 122 Ca -0.08 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.09 2i2p s VAL 122 Cb -0.20 -1.00 0.05 0.00 0.56 0.00 0.00 36.38 35.79 2i2p s VAL 122 CO -0.05 0.00 -0.08 -1.48 -0.31 0.00 0.00 175.10 173.17 2i2p s LEU 123 N -0.02 3.39 0.26 1.32 0.05 -1.09 0.22 118.68 122.81 2i2p s LEU 123 Ca -0.01 -1.21 0.04 0.00 0.05 0.00 0.00 54.13 53.00 2i2p s LEU 123 Cb -0.04 -1.60 -0.06 0.00 -2.05 0.00 0.00 46.19 42.44 2i2p s LEU 123 CO 0.01 -0.18 -0.00 0.00 -0.55 0.00 0.00 176.35 175.63 2i2p s ALA 124 N 1.19 2.04 -0.02 1.48 0.00 -0.35 -2.04 121.76 124.07 2i2p s ALA 124 Ca -0.05 -1.86 -0.23 0.00 0.00 0.00 0.00 51.96 49.82 2i2p s ALA 124 Cb -0.19 0.46 0.05 0.00 0.00 0.00 0.00 23.12 23.44 2i2p s ALA 124 CO -0.05 -0.22 0.50 -1.59 0.00 0.00 0.00 175.76 174.40 2i2p s LYS 125 N -3.84 0.90 0.02 0.00 0.00 0.35 -4.52 119.74 112.66 2i2p s LYS 125 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 55.97 56.26 2i2p s LYS 125 Cb 0.06 0.41 0.00 0.00 0.00 0.00 0.00 37.83 38.31 2i2p s LYS 125 CO 0.11 -0.28 0.03 0.00 0.00 0.00 0.00 175.35 175.21 2i2p n ALA 126 N 0.96 0.01 0.00 0.59 0.00 -1.26 -0.48 120.51 120.33 2i2p n ALA 126 Ca -0.20 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2i2p n ALA 126 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2i2p n ALA 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2i2p n TYR 127 N -1.34 -0.57 0.00 0.00 4.02 0.28 -4.84 117.16 114.71 2i2p n TYR 127 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2i2p n TYR 127 Cb 0.02 0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 2i2p n TYR 127 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2i2p n GLY 128 N 0.67 -0.13 3.52 2.72 0.00 -1.23 -4.85 105.19 105.89 2i2p n GLY 128 Ca 0.00 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 2i2p n GLY 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2i2p s SER 129 N -1.25 1.23 0.00 1.61 1.04 -0.94 -4.81 113.70 110.58 2i2p s SER 129 Ca 0.00 1.44 0.18 0.00 0.48 0.00 0.00 55.95 58.05 2i2p s SER 129 Cb 0.00 -2.21 0.33 0.00 0.10 0.00 0.00 66.02 64.24 2i2p s SER 129 CO 0.00 -4.03 1.25 0.35 0.98 0.00 0.00 173.24 171.79 2i2p n THR 130 N -4.80 0.53 -1.60 2.02 -2.24 -1.26 -4.75 114.28 102.18 2i2p n THR 130 Ca 0.03 -0.77 -0.56 0.00 -2.27 0.00 0.00 64.05 60.49 2i2p n THR 130 Cb 0.55 0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 69.61 2i2p n THR 130 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2i2p n ASN 131 N 1.08 2.20 0.38 3.42 2.85 -1.26 -4.82 115.26 119.10 2i2p n ASN 131 Ca 0.15 0.87 -0.19 0.00 -0.11 0.00 0.00 54.58 55.30 2i2p n ASN 131 Cb 0.49 -1.15 -0.10 0.00 1.24 0.00 0.00 39.78 40.26 2i2p n ASN 131 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2i2p h PRO 132 N 8.75 -1.07 0.00 1.20 0.13 -1.98 0.11 132.00 139.14 2i2p h PRO 132 Ca -0.38 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2i2p h PRO 132 Cb 1.33 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.70 2i2p h PRO 132 CO 0.99 -0.71 0.05 0.44 -0.23 0.00 0.00 178.00 178.54 2i2p n ILE 133 N -5.59 0.53 -0.02 -3.56 -6.64 -1.26 -1.40 119.36 101.42 2i2p n ILE 133 Ca -0.14 0.18 -0.03 0.00 -1.77 0.00 0.00 62.75 61.00 2i2p n ILE 133 Cb 0.48 -1.18 -0.02 0.00 -1.44 0.00 0.00 39.64 37.48 2i2p n ILE 133 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2i2p n ASN 134 N -1.05 3.79 0.06 7.28 3.02 -0.96 -4.70 115.26 122.70 2i2p n ASN 134 Ca 0.00 -0.02 -0.04 0.00 -0.03 0.00 0.00 54.58 54.50 2i2p n ASN 134 Cb 0.05 0.06 0.19 0.00 -0.61 0.00 0.00 39.78 39.47 2i2p n ASN 134 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2i2p h VAL 135 N 0.00 1.30 0.00 2.41 -1.51 0.44 -2.78 116.25 116.11 2i2p h VAL 135 Ca -0.09 -1.49 0.00 0.00 -1.23 0.00 0.00 66.70 63.89 2i2p h VAL 135 Cb 1.15 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 2i2p h VAL 135 CO -0.01 0.46 0.00 0.55 -1.23 0.00 0.00 177.57 177.33 2i2p n VAL 136 N -4.04 0.00 0.16 7.19 3.14 -0.62 -2.09 118.33 122.07 2i2p n VAL 136 Ca -0.01 1.39 0.19 0.00 -2.96 0.00 0.00 64.34 62.94 2i2p n VAL 136 Cb 0.48 -2.26 0.78 0.00 -1.06 0.00 0.00 33.84 31.77 2i2p n VAL 136 CO 0.00 0.00 0.00 0.08 -6.46 0.00 0.00 176.83 170.45 2i2p h ARG 137 N 0.00 0.00 -0.01 1.45 0.11 -1.84 0.41 114.38 114.50 2i2p h ARG 137 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2i2p h ARG 137 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 2i2p h ARG 137 CO 0.00 0.00 -0.13 0.00 0.10 0.00 0.00 179.97 179.94 2i2p h ALA 138 N 1.51 1.76 0.03 0.08 0.00 -1.12 0.20 119.26 121.71 2i2p h ALA 138 Ca 0.14 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2i2p h ALA 138 Cb 0.90 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.68 2i2p h ALA 138 CO -0.00 0.18 -0.50 1.79 0.00 0.00 0.00 179.25 180.72 2i2p h THR 139 N 0.02 1.50 -0.96 0.00 1.35 0.28 -3.26 112.91 111.84 2i2p h THR 139 Ca 0.00 -2.14 0.06 0.00 -0.55 0.00 0.00 66.41 63.79 2i2p h THR 139 Cb 0.25 2.81 -0.07 0.00 -1.73 0.00 0.00 68.15 69.41 2i2p h THR 139 CO 0.02 0.60 0.61 0.40 -0.25 0.00 0.00 175.52 176.90 2i2p h ILE 140 N -0.33 1.07 -0.90 6.82 2.04 -1.30 0.00 117.51 124.91 2i2p h ILE 140 Ca -0.07 -0.38 0.19 0.00 1.00 0.00 0.00 64.86 65.60 2i2p h ILE 140 Cb 1.26 -0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 2i2p h ILE 140 CO 0.10 0.20 0.59 -0.78 0.00 0.00 0.00 178.15 178.26 2i2p h ASP 141 N 1.11 0.47 -0.08 1.72 1.82 -1.02 0.51 116.42 120.96 2i2p h ASP 141 Ca 0.42 0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 57.08 2i2p h ASP 141 Cb 0.17 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.14 2i2p h ASP 141 CO -0.17 0.20 -0.05 1.23 -1.61 0.00 0.00 179.24 178.83 2i2p h GLY 142 N 0.47 0.18 0.61 -0.78 0.00 -1.06 -2.94 103.07 99.56 2i2p h GLY 142 Ca 0.47 -0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.71 2i2p h GLY 142 CO -0.20 0.15 0.52 1.41 0.00 0.00 0.00 176.54 178.43 2i2p h LEU 143 N -0.23 0.79 -1.62 3.11 3.38 -0.54 -0.64 115.31 119.56 2i2p h LEU 143 Ca 0.02 0.03 0.38 0.00 0.09 0.00 0.00 57.88 58.40 2i2p h LEU 143 Cb 0.51 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 2i2p h LEU 143 CO 0.01 0.47 0.87 -0.08 0.09 0.00 0.00 178.44 179.81 2i2p h GLU 144 N 0.90 0.13 0.00 1.13 4.81 0.08 0.64 114.58 122.27 2i2p h GLU 144 Ca 0.40 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 2i2p h GLU 144 Cb 0.29 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2i2p h GLU 144 CO -0.22 0.09 -1.01 0.09 -0.73 0.00 0.00 179.01 177.24 2i2p n ASN 145 N -4.45 0.92 -4.58 1.04 4.13 -0.30 -4.84 115.26 107.18 2i2p n ASN 145 Ca 0.32 -0.89 -0.18 0.00 1.68 0.00 0.00 54.58 55.51 2i2p n ASN 145 Cb 1.31 0.98 -0.10 0.00 -1.54 0.00 0.00 39.78 40.43 2i2p n ASN 145 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2i2p s MET 146 N -3.02 1.52 0.73 3.52 -1.94 0.22 -4.92 119.30 115.40 2i2p s MET 146 Ca 0.07 -0.55 -0.11 0.00 -1.71 0.00 0.00 55.69 53.40 2i2p s MET 146 Cb 0.16 -5.03 0.03 0.00 2.01 0.00 0.00 34.83 32.00 2i2p s MET 146 CO 0.86 -5.08 1.08 -0.80 -0.01 0.00 0.00 175.02 171.07 2i2p s ASN 147 N 8.19 5.16 0.45 3.03 0.02 -1.26 -3.86 114.94 126.68 2i2p s ASN 147 Ca 0.79 1.35 -0.03 0.00 -1.02 0.00 0.00 52.86 53.95 2i2p s ASN 147 Cb -0.05 -2.17 -0.02 0.00 0.02 0.00 0.00 41.25 39.03 2i2p s ASN 147 CO 0.16 -1.55 0.71 -0.94 0.02 0.00 0.00 177.10 175.51 2i2p s SER 148 N -4.03 6.12 0.43 -1.22 1.04 -1.26 -4.88 113.70 109.89 2i2p s SER 148 Ca 0.59 0.66 0.14 0.00 0.48 0.00 0.00 55.95 57.81 2i2p s SER 148 Cb -0.13 -2.00 0.92 0.00 0.10 0.00 0.00 66.02 64.92 2i2p s SER 148 CO 0.54 -0.58 1.95 1.55 0.98 0.00 0.00 173.24 177.68 2i2p h PRO 149 N 0.35 0.02 -7.39 4.02 0.13 -1.97 -3.43 132.00 123.74 2i2p h PRO 149 Ca -0.47 -0.01 -0.46 0.00 -0.87 0.00 0.00 66.00 64.19 2i2p h PRO 149 Cb 1.22 -0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.47 2i2p h PRO 149 CO 0.61 0.24 0.22 -2.00 -0.23 0.00 0.00 178.00 176.84 2i2p s GLU 150 N -4.56 1.11 0.00 0.86 2.12 -1.26 -4.31 118.70 112.67 2i2p s GLU 150 Ca -0.04 -1.01 0.00 0.00 0.36 0.00 0.00 54.97 54.29 2i2p s GLU 150 Cb 0.15 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.39 2i2p s GLU 150 CO 0.71 -1.93 0.00 -0.12 -0.54 0.00 0.00 175.26 173.38 2i2p n MET 151 N -3.23 0.00 -0.01 4.30 0.00 -1.26 -4.76 117.12 112.15 2i2p n MET 151 Ca 0.17 0.00 -0.11 0.00 -0.00 0.00 0.00 57.70 57.76 2i2p n MET 151 Cb 0.60 -1.17 -0.06 0.00 0.00 0.00 0.00 33.22 32.60 2i2p n MET 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2i2p h VAL 152 N 0.00 1.08 -0.06 1.12 2.07 -1.83 -1.49 116.25 117.14 2i2p h VAL 152 Ca 0.00 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2i2p h VAL 152 Cb 0.00 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2i2p h VAL 152 CO 0.00 0.08 0.13 0.00 0.02 0.00 0.00 177.57 177.80 2i2p h ALA 153 N 0.97 1.41 0.04 1.67 0.00 -1.86 -0.32 119.26 121.17 2i2p h ALA 153 Ca 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2i2p h ALA 153 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2i2p h ALA 153 CO -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 179.25 179.06 2i2p h ALA 154 N 1.80 -0.05 0.00 0.00 0.00 -1.67 -3.08 119.26 116.26 2i2p h ALA 154 Ca 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2i2p h ALA 154 Cb 0.29 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2i2p h ALA 154 CO -0.00 -0.17 -0.09 0.87 0.00 0.00 0.00 179.25 179.86 2i2p h LYS 155 N -0.77 0.00 -2.70 0.00 6.56 -0.84 -3.40 116.57 115.41 2i2p h LYS 155 Ca -0.01 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.36 2i2p h LYS 155 Cb 0.66 0.00 -0.33 0.00 -0.57 0.00 0.00 32.23 32.00 2i2p h LYS 155 CO 0.01 0.09 -0.54 -0.98 -2.06 0.00 0.00 179.45 175.97 2i2p s ARG 156 N -4.23 0.18 0.00 3.15 1.04 -0.22 -5.04 118.95 113.83 2i2p s ARG 156 Ca -0.03 0.65 0.00 0.00 -1.04 0.00 0.00 55.73 55.31 2i2p s ARG 156 Cb 0.13 -0.26 0.00 0.00 -2.04 0.00 0.00 34.95 32.79 2i2p s ARG 156 CO 0.56 -0.38 0.00 0.41 -0.04 0.00 0.00 175.30 175.86 2i2p n GLY 157 N 5.35 -1.47 3.31 3.88 0.00 -1.17 -4.04 105.19 111.05 2i2p n GLY 157 Ca -0.06 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2i2p n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60