#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t n LEU 2 N 0.00 0.00 -3.69 4.03 7.94 -1.26 -5.00 117.00 119.02 2i2t n LEU 2 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 2i2t n LEU 2 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2i2t n LEU 2 CO 0.00 0.00 0.32 0.00 -1.11 0.00 0.00 177.39 176.60 2i2t s GLN 3 N 0.00 1.41 -0.16 1.96 -2.07 -1.26 -4.76 119.66 114.79 2i2t s GLN 3 Ca 0.00 -0.80 -0.29 0.00 -1.82 0.00 0.00 55.36 52.44 2i2t s GLN 3 Cb 0.00 0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 32.42 2i2t s GLN 3 CO 0.00 -0.61 1.72 -2.14 -1.32 0.00 0.00 175.29 172.94 2i2t s PRO 4 N -3.86 3.85 0.56 9.60 0.02 -1.26 -4.86 135.00 139.05 2i2t s PRO 4 Ca 0.08 1.92 0.31 0.00 0.02 0.00 0.00 61.00 63.32 2i2t s PRO 4 Cb -0.02 -4.07 1.46 0.00 0.02 0.00 0.00 34.50 31.89 2i2t s PRO 4 CO -0.04 -1.24 1.85 0.87 -0.33 0.00 0.00 177.00 178.12 2i2t h LYS 5 N 10.88 0.00 -2.59 5.54 1.79 -2.03 -3.41 116.57 126.75 2i2t h LYS 5 Ca -0.37 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.00 2i2t h LYS 5 Cb 1.18 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.61 2i2t h LYS 5 CO 0.98 0.00 -0.11 0.50 -1.08 0.00 0.00 179.45 179.74 2i2t s ARG 6 N -4.81 0.71 -0.03 3.15 3.52 -1.26 -5.16 118.95 115.07 2i2t s ARG 6 Ca -0.05 0.31 -0.01 0.00 -0.13 0.00 0.00 55.73 55.86 2i2t s ARG 6 Cb 0.19 0.33 0.03 0.00 -1.56 0.00 0.00 34.95 33.94 2i2t s ARG 6 CO 0.68 -0.16 0.05 0.95 -0.81 0.00 0.00 175.30 176.00 2i2t s THR 7 N -0.56 -0.07 0.54 4.11 -4.23 -1.26 -5.02 115.64 109.16 2i2t s THR 7 Ca -0.07 0.24 0.23 0.00 -1.18 0.00 0.00 61.69 60.91 2i2t s THR 7 Cb -0.03 -0.11 0.34 0.00 1.34 0.00 0.00 72.50 74.04 2i2t s THR 7 CO 0.04 0.10 2.10 0.11 -0.54 0.00 0.00 174.62 176.42 2i2t h LYS 8 N 7.41 0.00 -4.54 3.99 6.56 -2.01 -3.40 116.57 124.57 2i2t h LYS 8 Ca -0.42 0.00 -0.47 0.00 -1.06 0.00 0.00 60.65 58.70 2i2t h LYS 8 Cb 1.12 0.00 -0.32 0.00 -0.57 0.00 0.00 32.23 32.46 2i2t h LYS 8 CO 0.44 0.00 -0.80 -0.06 -2.06 0.00 0.00 179.45 176.97 2i2t s PHE 9 N -4.93 1.16 0.31 -1.35 0.08 -1.26 -5.05 117.98 106.94 2i2t s PHE 9 Ca -0.05 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.65 2i2t s PHE 9 Cb 0.17 -0.85 0.52 0.00 -0.57 0.00 0.00 43.02 42.29 2i2t s PHE 9 CO 0.66 -0.18 1.91 0.00 -0.10 0.00 0.00 175.22 177.51 2i2t h ARG 10 N 6.71 0.81 -4.11 0.44 2.47 -2.04 -3.43 114.38 115.23 2i2t h ARG 10 Ca -0.33 -0.11 -0.48 0.00 -1.26 0.00 0.00 59.98 57.79 2i2t h ARG 10 Cb 1.17 -0.15 -0.36 0.00 -1.65 0.00 0.00 29.97 28.98 2i2t h ARG 10 CO 0.48 0.65 -0.79 0.15 0.56 0.00 0.00 179.97 181.02 2i2t s LYS 11 N -5.42 1.21 0.29 0.04 1.02 -1.26 -4.90 119.74 110.72 2i2t s LYS 11 Ca -0.10 -0.16 -0.19 0.00 0.02 0.00 0.00 55.97 55.54 2i2t s LYS 11 Cb 0.16 -1.27 -0.09 0.00 -0.52 0.00 0.00 37.83 36.11 2i2t s LYS 11 CO 0.78 -0.20 0.78 1.41 -0.92 0.00 0.00 175.35 177.20 2i2t s MET 12 N 1.46 4.19 0.00 1.68 1.75 -1.26 -5.06 119.30 122.05 2i2t s MET 12 Ca -0.01 0.87 0.00 0.00 -1.25 0.00 0.00 55.69 55.30 2i2t s MET 12 Cb -0.13 -2.62 0.00 0.00 2.84 0.00 0.00 34.83 34.92 2i2t s MET 12 CO -0.04 0.24 0.00 0.72 -0.65 0.00 0.00 175.02 175.29 2i2t n HIS 13 N 0.13 0.00 0.03 4.11 8.25 -1.26 -4.68 115.22 121.79 2i2t n HIS 13 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2i2t n HIS 13 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2i2t n HIS 13 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2i2t n LYS 14 N 0.00 0.00 0.00 -0.41 4.81 -1.26 -4.87 118.16 116.43 2i2t n LYS 14 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2i2t n LYS 14 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2i2t n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2i2t n GLY 15 N 0.40 1.20 3.64 3.14 0.00 -1.26 -4.95 105.19 107.35 2i2t n GLY 15 Ca 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 2i2t n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2i2t s ARG 16 N 0.00 0.07 0.56 1.61 1.70 -1.26 -5.16 118.95 116.47 2i2t s ARG 16 Ca 0.00 0.02 -0.19 0.00 -0.47 0.00 0.00 55.73 55.09 2i2t s ARG 16 Cb 0.00 0.03 -0.05 0.00 -0.57 0.00 0.00 34.95 34.36 2i2t s ARG 16 CO 0.00 -0.02 1.15 -0.80 -1.08 0.00 0.00 175.30 174.55 2i2t s ASN 17 N -0.92 5.56 -0.22 -2.89 -0.87 -1.26 -4.98 114.94 109.35 2i2t s ASN 17 Ca 0.09 2.22 0.15 0.00 -1.57 0.00 0.00 52.86 53.75 2i2t s ASN 17 Cb -0.01 -2.58 0.46 0.00 -0.02 0.00 0.00 41.25 39.09 2i2t s ASN 17 CO -0.08 -1.33 1.17 0.54 -2.57 0.00 0.00 177.10 174.83 2i2t n ARG 18 N -1.42 2.11 -1.37 -0.60 5.12 -1.26 -5.12 116.66 114.12 2i2t n ARG 18 Ca 0.12 -3.47 0.16 0.00 -1.93 0.00 0.00 57.85 52.73 2i2t n ARG 18 Cb 0.51 -1.60 -0.08 0.00 -1.16 0.00 0.00 32.46 30.12 2i2t n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i2t n GLY 19 N -0.58 -2.91 2.43 -0.13 0.00 -1.26 -5.02 105.19 97.72 2i2t n GLY 19 Ca 0.23 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 2i2t n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2i2t n LEU 20 N -4.22 -6.31 0.00 0.99 7.99 -1.25 -4.97 117.00 109.22 2i2t n LEU 20 Ca -0.08 2.55 -0.02 0.00 -0.01 0.00 0.00 56.01 58.45 2i2t n LEU 20 Cb 0.63 -3.22 0.02 0.00 -0.11 0.00 0.00 43.42 40.74 2i2t n LEU 20 CO 0.03 -3.39 0.07 0.00 -1.51 0.00 0.00 177.39 172.59 2i2t n ALA 21 N 1.74 -0.16 0.00 -1.18 0.00 -1.01 -4.96 120.51 114.93 2i2t n ALA 21 Ca -0.20 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2i2t n ALA 21 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.75 2i2t n ALA 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2i2t n GLN 22 N -1.35 0.00 -2.20 0.00 1.13 -1.26 -4.83 117.38 108.87 2i2t n GLN 22 Ca 0.01 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.65 2i2t n GLN 22 Cb 0.05 -0.90 0.00 0.00 0.11 0.00 0.00 30.24 29.50 2i2t n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2i2t n GLY 23 N 3.33 4.44 0.00 1.08 0.00 -1.26 -4.84 105.19 107.95 2i2t n GLY 23 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2i2t n GLY 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2i2t n THR 24 N 4.14 0.00 -1.33 2.61 -1.04 -1.26 -1.96 114.28 115.44 2i2t n THR 24 Ca 0.44 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 62.03 2i2t n THR 24 Cb 0.38 -0.18 -0.00 0.00 -1.82 0.00 0.00 70.33 68.71 2i2t n THR 24 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2i2t n ASP 25 N 0.00 -2.51 -4.76 8.00 3.85 -1.26 -4.36 116.55 115.51 2i2t n ASP 25 Ca 0.00 0.83 -0.38 0.00 -0.71 0.00 0.00 54.79 54.53 2i2t n ASP 25 Cb 0.00 -0.92 0.01 0.00 -1.35 0.00 0.00 41.12 38.86 2i2t n ASP 25 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 2i2t s VAL 26 N -1.64 2.65 0.00 2.12 -7.23 -1.26 -4.96 120.40 110.08 2i2t s VAL 26 Ca 0.60 0.48 0.17 0.00 -1.81 0.00 0.00 61.98 61.42 2i2t s VAL 26 Cb -0.63 -3.24 0.28 0.00 0.56 0.00 0.00 36.38 33.35 2i2t s VAL 26 CO 0.62 -0.01 1.09 -1.20 -0.31 0.00 0.00 175.10 175.29 2i2t n SER 27 N -0.78 0.48 0.00 4.85 7.64 -1.26 -4.98 113.62 119.58 2i2t n SER 27 Ca 0.09 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 58.00 2i2t n SER 27 Cb 0.47 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2i2t n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2i2t n PHE 28 N 0.33 -0.83 0.00 1.43 3.72 -1.26 -5.12 117.46 115.73 2i2t n PHE 28 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2i2t n PHE 28 Cb 0.99 0.45 0.00 0.00 -0.94 0.00 0.00 39.48 39.98 2i2t n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2i2t n GLY 29 N 0.40 0.71 0.11 1.37 0.00 -1.26 -5.04 105.19 101.47 2i2t n GLY 29 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2i2t n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2i2t n SER 30 N 0.00 0.00 0.00 1.61 3.41 0.14 -4.85 113.62 113.93 2i2t n SER 30 Ca 0.00 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.92 2i2t n SER 30 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2i2t n SER 30 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2i2t n PHE 31 N 0.00 0.00 0.00 7.33 0.99 -1.02 -4.19 117.46 120.57 2i2t n PHE 31 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2i2t n PHE 31 Cb 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.82 2i2t n PHE 31 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2i2t n GLY 32 N 0.00 -1.07 3.19 1.37 0.00 -1.26 -4.27 105.19 103.15 2i2t n GLY 32 Ca 0.00 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 2i2t n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i2t s LEU 33 N -2.85 1.98 0.53 0.99 1.43 -1.03 -3.18 118.68 116.55 2i2t s LEU 33 Ca 0.00 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 2i2t s LEU 33 Cb 0.00 -1.20 0.06 0.00 0.03 0.00 0.00 46.19 45.08 2i2t s LEU 33 CO 0.00 0.17 0.63 -0.75 0.23 0.00 0.00 176.35 176.64 2i2t s LYS 34 N 0.12 2.38 0.00 1.70 2.47 -0.40 0.38 119.74 126.38 2i2t s LYS 34 Ca -0.09 -1.67 0.00 0.00 -1.56 0.00 0.00 55.97 52.65 2i2t s LYS 34 Cb -0.14 -2.51 0.00 0.00 -1.46 0.00 0.00 37.83 33.72 2i2t s LYS 34 CO 0.05 -0.67 0.02 0.00 0.16 0.00 0.00 175.35 174.90 2i2t n ALA 35 N -2.02 0.00 0.00 3.13 0.00 -1.04 -3.55 120.51 117.03 2i2t n ALA 35 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2i2t n ALA 35 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2i2t n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2i2t n VAL 36 N -0.23 0.00 -4.20 0.00 0.31 -1.26 -2.81 118.33 110.14 2i2t n VAL 36 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 2i2t n VAL 36 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 2i2t n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2i2t s GLY 37 N -1.80 1.77 0.20 2.92 0.00 -1.26 -4.91 107.32 104.25 2i2t s GLY 37 Ca 0.00 -1.76 0.09 0.00 0.00 0.00 0.00 44.72 43.04 2i2t s GLY 37 CO 0.00 -1.29 -0.07 0.50 0.00 0.00 0.00 173.10 172.25 2i2t s ARG 38 N -3.59 2.15 0.00 2.90 0.52 -1.26 -1.91 118.95 117.76 2i2t s ARG 38 Ca 0.37 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 2i2t s ARG 38 Cb 0.03 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.31 2i2t s ARG 38 CO 0.20 0.42 0.00 0.41 0.02 0.00 0.00 175.30 176.36 2i2t n GLY 39 N -0.16 0.00 3.17 -3.53 0.00 -1.13 -4.74 105.19 98.80 2i2t n GLY 39 Ca -0.10 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 2i2t n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2i2t s ARG 40 N -2.00 0.35 -0.24 1.61 1.70 -1.26 -2.30 118.95 116.81 2i2t s ARG 40 Ca 0.00 0.34 -0.17 0.00 -0.47 0.00 0.00 55.73 55.42 2i2t s ARG 40 Cb 0.00 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 2i2t s ARG 40 CO 0.00 -0.05 0.48 -0.51 -1.08 0.00 0.00 175.30 174.14 2i2t s LEU 41 N 0.03 4.09 0.00 -1.89 1.43 -0.29 -4.81 118.68 117.24 2i2t s LEU 41 Ca -0.01 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 2i2t s LEU 41 Cb -0.02 -2.62 0.08 0.00 0.03 0.00 0.00 46.19 43.66 2i2t s LEU 41 CO 0.01 -0.21 0.33 0.41 0.23 0.00 0.00 176.35 177.11 2i2t n THR 42 N 4.87 0.00 0.00 5.49 -1.04 -1.26 -0.10 114.28 122.24 2i2t n THR 42 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2i2t n THR 42 Cb 0.50 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 2i2t n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2i2t n ALA 43 N -0.69 0.00 0.50 2.41 0.00 -1.23 -4.23 120.51 117.26 2i2t n ALA 43 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.55 2i2t n ALA 43 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.87 2i2t n ALA 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2i2t n ARG 44 N 0.00 0.10 -0.07 0.00 0.63 -1.26 -2.70 116.66 113.36 2i2t n ARG 44 Ca 0.00 0.30 -0.22 0.00 -0.92 0.00 0.00 57.85 57.01 2i2t n ARG 44 Cb 0.00 -1.68 -0.12 0.00 0.45 0.00 0.00 32.46 31.11 2i2t n ARG 44 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2i2t n GLN 45 N -1.86 0.64 -0.27 -0.14 6.02 -1.26 -3.32 117.38 117.19 2i2t n GLN 45 Ca 0.03 0.43 0.32 0.00 -0.01 0.00 0.00 57.00 57.78 2i2t n GLN 45 Cb 0.22 -1.71 0.73 0.00 1.02 0.00 0.00 30.24 30.50 2i2t n GLN 45 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 2i2t h ILE 46 N -0.60 0.47 0.09 5.09 -0.00 -1.86 0.68 117.51 121.38 2i2t h ILE 46 Ca -0.41 -0.01 -0.15 0.00 -0.00 0.00 0.00 64.86 64.29 2i2t h ILE 46 Cb 1.60 0.44 0.01 0.00 -0.00 0.00 0.00 36.82 38.87 2i2t h ILE 46 CO -0.12 0.00 -0.73 -0.33 -0.00 0.00 0.00 178.15 176.97 2i2t h GLU 47 N 0.02 0.19 -0.51 0.16 4.39 -1.71 0.19 114.58 117.31 2i2t h GLU 47 Ca 0.51 -0.33 0.10 0.00 0.34 0.00 0.00 59.36 59.99 2i2t h GLU 47 Cb 2.02 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 30.76 2i2t h GLU 47 CO -0.02 1.16 0.35 0.00 -1.16 0.00 0.00 179.01 179.34 2i2t h ALA 48 N 0.00 2.16 0.06 3.43 0.00 -0.51 0.77 119.26 125.17 2i2t h ALA 48 Ca -0.15 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2i2t h ALA 48 Cb 1.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2i2t h ALA 48 CO 0.07 -0.28 -0.56 0.00 0.00 0.00 0.00 179.25 178.48 2i2t h ALA 49 N 1.74 0.02 0.05 0.00 0.00 0.13 -3.21 119.26 117.99 2i2t h ALA 49 Ca 0.24 -0.71 0.02 0.00 0.00 0.00 0.00 54.91 54.45 2i2t h ALA 49 Cb 0.62 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2i2t h ALA 49 CO -0.05 0.29 -0.14 -0.09 0.00 0.00 0.00 179.25 179.26 2i2t h ARG 50 N -0.73 -0.25 0.11 0.00 2.43 0.42 0.12 114.38 116.46 2i2t h ARG 50 Ca -0.12 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2i2t h ARG 50 Cb 1.32 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.88 2i2t h ARG 50 CO 0.03 -0.17 -0.46 0.00 -1.51 0.00 0.00 179.97 177.86 2i2t h ARG 51 N -0.26 -0.63 -0.81 0.20 3.08 0.37 0.44 114.38 116.76 2i2t h ARG 51 Ca 0.03 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.24 2i2t h ARG 51 Cb 0.30 0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.41 2i2t h ARG 51 CO -0.11 -0.42 0.43 0.00 -1.07 0.00 0.00 179.97 178.81 2i2t h ALA 52 N -0.69 1.17 0.15 0.04 0.00 -1.54 0.80 119.26 119.19 2i2t h ALA 52 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2i2t h ALA 52 Cb 0.66 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2i2t h ALA 52 CO -0.25 0.00 -0.46 1.98 0.00 0.00 0.00 179.25 180.52 2i2t h MET 53 N 0.69 -0.68 0.33 0.00 1.85 0.42 -2.75 114.93 114.79 2i2t h MET 53 Ca 0.41 0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.54 2i2t h MET 53 Cb 0.46 0.16 -0.03 0.00 0.43 0.00 0.00 31.60 32.62 2i2t h MET 53 CO -0.29 -0.46 -0.50 1.15 -0.40 0.00 0.00 176.91 176.41 2i2t h THR 54 N -0.71 0.00 -0.20 -0.77 2.02 0.67 -3.31 112.91 110.61 2i2t h THR 54 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2i2t h THR 54 Cb 0.72 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2i2t h THR 54 CO -0.25 0.00 0.09 -1.14 0.37 0.00 0.00 175.52 174.59 2i2t n ARG 55 N -5.41 0.32 0.00 6.66 0.63 0.20 -0.29 116.66 118.77 2i2t n ARG 55 Ca -0.10 -1.19 0.00 0.00 -0.92 0.00 0.00 57.85 55.63 2i2t n ARG 55 Cb 0.43 -3.67 0.00 0.00 0.45 0.00 0.00 32.46 29.67 2i2t n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2i2t n ALA 56 N 18.62 0.00 0.62 5.13 0.00 -1.25 -4.79 120.51 138.84 2i2t n ALA 56 Ca 0.44 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.97 2i2t n ALA 56 Cb 0.44 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.30 2i2t n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2i2t n VAL 57 N 0.00 0.71 0.00 0.00 0.31 0.60 -4.90 118.33 115.05 2i2t n VAL 57 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 2i2t n VAL 57 Cb 0.00 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 2i2t n VAL 57 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2i2t n LYS 58 N -1.62 0.00 -0.08 5.55 4.01 0.19 -3.07 118.16 123.15 2i2t n LYS 58 Ca 0.04 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.70 2i2t n LYS 58 Cb 0.23 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.70 2i2t n LYS 58 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2i2t n ARG 59 N 0.00 0.38 -1.32 1.97 0.63 -1.26 -4.60 116.66 112.46 2i2t n ARG 59 Ca 0.00 0.16 -0.42 0.00 -0.92 0.00 0.00 57.85 56.67 2i2t n ARG 59 Cb 0.00 -1.15 -0.00 0.00 0.45 0.00 0.00 32.46 31.75 2i2t n ARG 59 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2i2t n GLN 60 N -3.96 0.07 0.00 -0.14 6.02 -1.17 -4.79 117.38 113.40 2i2t n GLN 60 Ca -0.26 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 2i2t n GLN 60 Cb 0.60 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.80 2i2t n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i2t n GLY 61 N 2.26 -2.05 3.45 1.08 0.00 -1.05 -4.88 105.19 104.01 2i2t n GLY 61 Ca 0.11 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 2i2t n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i2t s LYS 62 N -2.72 2.89 0.14 1.61 2.20 -1.26 -4.84 119.74 117.76 2i2t s LYS 62 Ca 0.00 -0.67 0.06 0.00 -0.36 0.00 0.00 55.97 55.01 2i2t s LYS 62 Cb 0.00 -2.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.77 2i2t s LYS 62 CO 0.00 0.47 0.01 0.42 -0.36 0.00 0.00 175.35 175.89 2i2t s ILE 63 N -0.32 3.87 0.18 5.43 1.09 -1.26 -2.87 121.20 127.33 2i2t s ILE 63 Ca 0.03 -1.25 0.04 0.00 -1.10 0.00 0.00 60.65 58.38 2i2t s ILE 63 Cb -0.13 -2.91 -0.05 0.00 -1.06 0.00 0.00 42.46 38.32 2i2t s ILE 63 CO 0.02 -0.03 -0.07 0.26 -0.10 0.00 0.00 174.94 175.03 2i2t s TRP 64 N -1.57 1.40 -0.33 3.97 0.51 -0.08 -4.93 118.94 117.90 2i2t s TRP 64 Ca 0.27 -0.81 0.00 0.00 -2.12 0.00 0.00 56.10 53.44 2i2t s TRP 64 Cb -0.10 -0.75 0.14 0.00 -0.81 0.00 0.00 33.47 31.94 2i2t s TRP 64 CO 0.19 0.05 0.27 0.42 -0.51 0.00 0.00 176.95 177.37 2i2t s ILE 65 N -3.35 -0.19 -2.01 2.03 1.01 -1.26 -2.66 121.20 114.78 2i2t s ILE 65 Ca 0.22 -1.02 0.06 0.00 0.00 0.00 0.00 60.65 59.91 2i2t s ILE 65 Cb 0.04 -0.91 0.17 0.00 0.01 0.00 0.00 42.46 41.76 2i2t s ILE 65 CO 0.04 -0.69 1.17 0.54 0.00 0.00 0.00 174.94 176.00 2i2t n ARG 66 N 4.61 1.36 -4.39 2.79 1.74 -0.50 -4.83 116.66 117.44 2i2t n ARG 66 Ca 0.05 -0.56 -0.26 0.00 -0.77 0.00 0.00 57.85 56.31 2i2t n ARG 66 Cb 0.43 -1.14 -0.11 0.00 -1.02 0.00 0.00 32.46 30.62 2i2t n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2i2t s VAL 67 N -1.80 2.59 -0.05 1.55 -7.23 -1.25 -4.94 120.40 109.27 2i2t s VAL 67 Ca 0.12 -1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.18 2i2t s VAL 67 Cb 0.06 -2.27 0.02 0.00 0.56 0.00 0.00 36.38 34.76 2i2t s VAL 67 CO 0.09 -0.15 0.30 0.12 -0.31 0.00 0.00 175.10 175.15 2i2t s PHE 68 N -1.78 -0.23 0.00 2.82 5.36 -1.26 -5.11 117.98 117.77 2i2t s PHE 68 Ca 0.23 0.46 0.00 0.00 -0.96 0.00 0.00 56.93 56.66 2i2t s PHE 68 Cb -0.08 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.70 2i2t s PHE 68 CO 0.12 -0.30 0.40 -0.35 -1.46 0.00 0.00 175.22 173.63 2i2t n PRO 69 N 1.91 0.00 0.00 10.12 -0.04 -1.26 -4.46 135.00 141.26 2i2t n PRO 69 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2i2t n PRO 69 Cb 0.57 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 2i2t n PRO 69 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2i2t n ASP 70 N -0.50 0.00 -4.57 3.54 5.68 -1.25 -4.08 116.55 115.37 2i2t n ASP 70 Ca 0.00 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.89 2i2t n ASP 70 Cb 0.00 -0.29 -0.09 0.00 -1.14 0.00 0.00 41.12 39.61 2i2t n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2i2t s LYS 71 N 0.00 3.77 0.00 0.11 2.20 -1.01 -4.94 119.74 119.88 2i2t s LYS 71 Ca 0.00 -0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 2i2t s LYS 71 Cb 0.00 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 2i2t s LYS 71 CO 0.00 -0.46 0.19 -2.30 -0.36 0.00 0.00 175.35 172.43 2i2t n PRO 72 N 5.47 0.00 -1.45 4.03 -0.02 -1.26 -0.20 135.00 141.57 2i2t n PRO 72 Ca -0.07 0.15 -0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2i2t n PRO 72 Cb 0.50 -0.69 -0.00 0.00 -0.02 0.00 0.00 33.50 33.28 2i2t n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2i2t n ILE 73 N -0.34 -4.67 -2.77 4.25 2.08 -1.26 -3.61 119.36 113.03 2i2t n ILE 73 Ca 0.00 0.64 -0.21 0.00 0.56 0.00 0.00 62.75 63.75 2i2t n ILE 73 Cb 0.00 -3.84 0.05 0.00 -0.75 0.00 0.00 39.64 35.11 2i2t n ILE 73 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2i2t s THR 74 N -0.13 2.51 -0.12 1.39 -4.23 -1.26 -3.38 115.64 110.41 2i2t s THR 74 Ca -0.02 -0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 59.65 2i2t s THR 74 Cb 0.00 -2.74 0.05 0.00 1.34 0.00 0.00 72.50 71.15 2i2t s THR 74 CO 0.06 0.00 0.29 -1.61 -0.54 0.00 0.00 174.62 172.82 2i2t s GLU 75 N -4.76 0.25 -0.13 3.99 2.02 -0.88 -4.80 118.70 114.39 2i2t s GLU 75 Ca 0.60 0.62 -0.17 0.00 0.02 0.00 0.00 54.97 56.03 2i2t s GLU 75 Cb -0.08 -0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.02 2i2t s GLU 75 CO 0.39 -0.17 0.45 0.21 0.02 0.00 0.00 175.26 176.16 2i2t s LYS 76 N 1.37 4.32 1.01 1.61 2.20 -1.26 -3.66 119.74 125.32 2i2t s LYS 76 Ca -0.09 0.38 -0.16 0.00 -0.36 0.00 0.00 55.97 55.75 2i2t s LYS 76 Cb -0.10 -3.44 0.10 0.00 -1.51 0.00 0.00 37.83 32.88 2i2t s LYS 76 CO -0.10 0.15 -0.01 -2.30 -0.36 0.00 0.00 175.35 172.73 2i2t n PRO 77 N 3.73 -1.70 0.00 4.03 -0.02 -1.26 -5.00 135.00 134.78 2i2t n PRO 77 Ca -0.08 -0.50 0.00 0.00 -2.02 0.00 0.00 63.50 60.91 2i2t n PRO 77 Cb 0.52 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 2i2t n PRO 77 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2i2t n LEU 78 N -0.58 0.00 -4.54 2.45 4.77 -1.26 -4.48 117.00 113.36 2i2t n LEU 78 Ca 0.03 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.63 2i2t n LEU 78 Cb 0.46 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 2i2t n LEU 78 CO 0.33 0.00 2.05 0.00 -1.33 0.00 0.00 177.39 178.44 2i2t n ALA 79 N -3.00 0.73 -3.26 -1.18 0.00 -1.26 -4.81 120.51 107.73 2i2t n ALA 79 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 53.44 52.73 2i2t n ALA 79 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 19.45 16.43 2i2t n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i2t s VAL 80 N 11.24 -0.26 1.10 0.00 0.11 -1.26 -5.17 120.40 126.15 2i2t s VAL 80 Ca 1.07 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 60.00 2i2t s VAL 80 Cb -0.43 -1.00 0.25 0.00 -1.53 0.00 0.00 36.38 33.66 2i2t s VAL 80 CO 0.32 0.00 1.06 -0.13 -3.33 0.00 0.00 175.10 173.02 2i2t s ARG 81 N 2.34 -0.40 0.54 1.54 3.00 -1.26 -5.00 118.95 119.70 2i2t s ARG 81 Ca -0.01 1.04 -0.12 0.00 0.00 0.00 0.00 55.73 56.64 2i2t s ARG 81 Cb -0.04 -1.60 -0.06 0.00 0.00 0.00 0.00 34.95 33.25 2i2t s ARG 81 CO -0.16 -3.43 0.95 -1.64 0.00 0.00 0.00 175.30 171.02 2i2t s MET 82 N -4.51 3.74 -0.29 3.54 -1.94 -1.26 -4.63 119.30 113.95 2i2t s MET 82 Ca 0.68 0.72 -0.04 0.00 -1.71 0.00 0.00 55.69 55.34 2i2t s MET 82 Cb -0.24 -2.18 0.00 0.00 2.01 0.00 0.00 34.83 34.42 2i2t s MET 82 CO 0.63 -0.35 0.32 0.41 -0.01 0.00 0.00 175.02 176.02 2i2t n GLY 83 N -2.07 -0.88 2.60 -0.03 0.00 -1.26 -5.00 105.19 98.55 2i2t n GLY 83 Ca 0.05 0.34 -0.01 0.00 0.00 0.00 0.00 46.02 46.40 2i2t n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i2t n LYS 84 N -0.90 1.37 0.00 1.61 4.76 -1.26 -5.11 118.16 118.63 2i2t n LYS 84 Ca 0.03 -1.97 0.00 0.00 -2.87 0.00 0.00 58.31 53.50 2i2t n LYS 84 Cb 0.36 -0.24 0.00 0.00 -1.84 0.00 0.00 35.03 33.31 2i2t n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2i2t n GLY 85 N -1.10 -2.61 3.70 0.72 0.00 -1.26 -4.88 105.19 99.75 2i2t n GLY 85 Ca -0.10 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 2i2t n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i2t s LYS 86 N -3.07 1.71 0.00 1.61 2.20 -1.26 -5.00 119.74 115.93 2i2t s LYS 86 Ca 0.00 1.70 0.00 0.00 -0.36 0.00 0.00 55.97 57.31 2i2t s LYS 86 Cb 0.00 -1.79 0.00 0.00 -1.51 0.00 0.00 37.83 34.53 2i2t s LYS 86 CO 0.00 -2.15 0.00 0.41 -0.36 0.00 0.00 175.35 173.25 2i2t n GLY 87 N 0.34 -2.48 3.61 5.54 0.00 -1.26 -5.03 105.19 105.90 2i2t n GLY 87 Ca 0.13 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 2i2t n GLY 87 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2i2t s ASN 88 N -1.63 4.67 -0.51 1.61 -0.87 -1.24 -4.84 114.94 112.13 2i2t s ASN 88 Ca 0.00 -0.17 -0.26 0.00 -1.57 0.00 0.00 52.86 50.85 2i2t s ASN 88 Cb 0.00 -1.07 -0.05 0.00 -0.02 0.00 0.00 41.25 40.10 2i2t s ASN 88 CO 0.00 0.26 2.24 0.68 -2.57 0.00 0.00 177.10 177.70 2i2t s VAL 89 N -1.07 3.11 -0.13 1.60 -7.23 -1.26 -2.07 120.40 113.35 2i2t s VAL 89 Ca 0.19 0.07 -0.24 0.00 -1.81 0.00 0.00 61.98 60.18 2i2t s VAL 89 Cb -0.11 -3.29 -0.22 0.00 0.56 0.00 0.00 36.38 33.32 2i2t s VAL 89 CO 0.10 -0.27 0.66 -0.08 -0.31 0.00 0.00 175.10 175.20 2i2t h GLU 90 N 17.96 -0.00 0.00 4.82 4.57 -1.85 -3.49 114.58 136.59 2i2t h GLU 90 Ca -0.26 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2i2t h GLU 90 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2i2t h GLU 90 CO 1.16 0.83 0.00 2.48 -1.18 0.00 0.00 179.01 182.31 2i2t n TYR 91 N -4.64 0.00 -3.75 0.92 4.11 -1.24 -5.09 117.16 107.46 2i2t n TYR 91 Ca -0.08 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.56 2i2t n TYR 91 Cb 0.40 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.57 2i2t n TYR 91 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 2i2t s TRP 92 N -1.24 0.89 0.39 -3.48 0.52 -1.24 -4.33 118.94 110.46 2i2t s TRP 92 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 56.10 55.54 2i2t s TRP 92 Cb 0.00 -0.94 -0.02 0.00 -1.15 0.00 0.00 33.47 31.36 2i2t s TRP 92 CO 0.00 -0.50 0.61 0.54 0.02 0.00 0.00 176.95 177.61 2i2t s VAL 93 N 1.90 4.62 -0.30 4.03 0.11 0.72 -3.57 120.40 127.91 2i2t s VAL 93 Ca 0.02 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 58.61 2i2t s VAL 93 Cb -0.15 -3.69 0.09 0.00 -1.53 0.00 0.00 36.38 31.10 2i2t s VAL 93 CO -0.07 -0.47 0.06 0.00 -3.33 0.00 0.00 175.10 171.29 2i2t s ALA 94 N -2.43 1.92 -0.10 1.54 0.00 0.85 -2.41 121.76 121.13 2i2t s ALA 94 Ca 0.44 -1.78 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 2i2t s ALA 94 Cb -0.10 -1.65 -0.06 0.00 0.00 0.00 0.00 23.12 21.31 2i2t s ALA 94 CO 0.37 -1.57 1.86 -0.51 0.00 0.00 0.00 175.76 175.91 2i2t s LEU 95 N 1.42 4.07 0.12 0.00 1.02 -1.26 -1.13 118.68 122.91 2i2t s LEU 95 Ca 0.07 2.14 0.06 0.00 0.02 0.00 0.00 54.13 56.42 2i2t s LEU 95 Cb -0.18 -3.53 -0.04 0.00 0.02 0.00 0.00 46.19 42.47 2i2t s LEU 95 CO -0.17 -1.26 -0.13 0.27 0.02 0.00 0.00 176.35 175.08 2i2t s ILE 96 N 5.32 1.28 0.20 -0.59 -4.36 -0.97 -4.99 121.20 117.09 2i2t s ILE 96 Ca 0.83 -1.73 -0.04 0.00 -0.26 0.00 0.00 60.65 59.45 2i2t s ILE 96 Cb -0.34 -1.53 -0.03 0.00 1.25 0.00 0.00 42.46 41.82 2i2t s ILE 96 CO 0.34 -0.45 0.21 0.00 0.24 0.00 0.00 174.94 175.28 2i2t s GLN 97 N -2.74 1.25 -0.48 0.37 0.00 -1.26 -2.83 119.66 113.96 2i2t s GLN 97 Ca 0.09 -1.50 -0.38 0.00 -0.00 0.00 0.00 55.36 53.57 2i2t s GLN 97 Cb -0.04 0.32 -0.16 0.00 0.00 0.00 0.00 33.01 33.13 2i2t s GLN 97 CO 0.03 -0.43 2.22 -2.30 0.00 0.00 0.00 175.29 174.80 2i2t n PRO 98 N -0.27 0.50 0.00 9.60 -0.02 -0.80 -1.78 135.00 142.23 2i2t n PRO 98 Ca -0.00 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2i2t n PRO 98 Cb 0.65 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2i2t n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i2t n GLY 99 N 6.95 3.78 3.61 -1.23 0.00 -1.26 -2.41 105.19 114.63 2i2t n GLY 99 Ca 0.49 -0.81 -0.62 0.00 0.00 0.00 0.00 46.02 45.08 2i2t n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i2t n LYS 100 N 0.00 0.43 -2.56 1.61 4.76 -0.73 -4.24 118.16 117.43 2i2t n LYS 100 Ca 0.00 0.15 -0.41 0.00 -2.87 0.00 0.00 58.31 55.18 2i2t n LYS 100 Cb 0.00 -1.76 -0.03 0.00 -1.84 0.00 0.00 35.03 31.40 2i2t n LYS 100 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2i2t s VAL 101 N 4.15 3.77 0.00 -0.18 0.11 -0.83 -2.51 120.40 124.91 2i2t s VAL 101 Ca 1.07 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 60.33 2i2t s VAL 101 Cb -1.32 -4.93 0.00 0.00 -1.53 0.00 0.00 36.38 28.60 2i2t s VAL 101 CO 0.71 -1.86 0.91 0.18 -3.33 0.00 0.00 175.10 171.72 2i2t n LEU 102 N 9.25 0.00 0.00 2.54 7.99 0.16 -4.12 117.00 132.82 2i2t n LEU 102 Ca 0.07 0.91 0.00 0.00 -0.01 0.00 0.00 56.01 56.98 2i2t n LEU 102 Cb 0.49 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 2i2t n LEU 102 CO 0.70 -0.41 0.00 -1.22 -1.51 0.00 0.00 177.39 174.95 2i2t n TYR 103 N -2.25 -0.23 -3.38 -1.77 4.02 -1.24 -1.40 117.16 110.91 2i2t n TYR 103 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.91 2i2t n TYR 103 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 2i2t n TYR 103 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2i2t s GLU 104 N -1.87 0.47 0.53 -0.72 2.12 -1.09 -2.47 118.70 115.67 2i2t s GLU 104 Ca 0.00 1.03 -0.01 0.00 0.36 0.00 0.00 54.97 56.35 2i2t s GLU 104 Cb 0.00 0.60 0.02 0.00 0.26 0.00 0.00 34.13 35.01 2i2t s GLU 104 CO 0.00 -0.31 0.77 1.41 -0.54 0.00 0.00 175.26 176.59 2i2t s MET 105 N 2.80 2.76 0.25 4.30 -2.45 -1.26 -0.91 119.30 124.78 2i2t s MET 105 Ca 0.04 -0.52 0.00 0.00 -1.25 0.00 0.00 55.69 53.96 2i2t s MET 105 Cb -0.11 -2.46 0.00 0.00 1.25 0.00 0.00 34.83 33.51 2i2t s MET 105 CO -0.18 -0.59 0.00 -3.47 1.05 0.00 0.00 175.02 171.82 2i2t n ASP 106 N -2.33 -1.75 -4.04 1.11 2.03 -1.14 0.29 116.55 110.72 2i2t n ASP 106 Ca 0.05 0.46 -0.43 0.00 0.52 0.00 0.00 54.79 55.39 2i2t n ASP 106 Cb 0.59 1.81 0.00 0.00 -0.72 0.00 0.00 41.12 42.80 2i2t n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2i2t n GLY 107 N -0.52 4.16 3.63 0.27 0.00 -1.26 -4.76 105.19 106.70 2i2t n GLY 107 Ca 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.08 2i2t n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2t s VAL 108 N 1.68 0.00 0.60 1.61 0.11 -1.26 -2.53 120.40 120.61 2i2t s VAL 108 Ca 0.43 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.29 2i2t s VAL 108 Cb 0.07 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 2i2t s VAL 108 CO -0.01 0.00 1.12 -2.65 -3.33 0.00 0.00 175.10 170.23 2i2t n PRO 109 N 0.75 1.09 0.00 1.54 -0.02 -1.26 -4.79 135.00 132.31 2i2t n PRO 109 Ca -0.04 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2i2t n PRO 109 Cb 0.58 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2i2t n PRO 109 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2i2t n GLU 110 N -1.21 0.48 0.00 -0.52 0.00 -1.26 -2.01 120.64 116.12 2i2t n GLU 110 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.27 2i2t n GLU 110 Cb 0.47 -1.24 -0.01 0.00 0.00 0.00 0.00 31.44 30.66 2i2t n GLU 110 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2i2t n GLU 111 N 0.37 0.07 -1.48 3.44 4.07 -1.26 -4.16 120.64 121.69 2i2t n GLU 111 Ca 0.00 0.03 -0.37 0.00 -0.06 0.00 0.00 57.16 56.76 2i2t n GLU 111 Cb 0.14 -0.62 -0.03 0.00 -0.06 0.00 0.00 31.44 30.87 2i2t n GLU 111 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2i2t n LEU 112 N -3.32 8.32 0.00 4.31 -0.00 -0.85 -2.45 117.00 123.01 2i2t n LEU 112 Ca -0.05 -4.43 0.00 0.00 -0.00 0.00 0.00 56.01 51.53 2i2t n LEU 112 Cb 0.37 -1.49 0.00 0.00 -0.00 0.00 0.00 43.42 42.31 2i2t n LEU 112 CO 0.01 2.04 0.00 0.00 -0.00 0.00 0.00 177.39 179.45 2i2t n ALA 113 N 2.95 0.00 0.27 1.96 0.00 -1.24 -4.59 120.51 119.85 2i2t n ALA 113 Ca 0.72 0.00 0.09 0.00 0.00 0.00 0.00 53.44 54.25 2i2t n ALA 113 Cb 0.29 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.43 2i2t n ALA 113 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2i2t h ARG 114 N 0.00 0.00 -1.82 0.00 2.43 -1.68 0.40 114.38 113.70 2i2t h ARG 114 Ca 0.00 0.00 -0.63 0.00 -0.81 0.00 0.00 59.98 58.54 2i2t h ARG 114 Cb 0.00 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 29.16 2i2t h ARG 114 CO 0.00 0.01 -0.30 -1.91 -1.51 0.00 0.00 179.97 176.26 2i2t n GLU 115 N -4.37 3.41 0.00 0.20 0.00 -1.02 -2.96 120.64 115.90 2i2t n GLU 115 Ca -0.03 -4.44 0.00 0.00 0.00 0.00 0.00 57.16 52.69 2i2t n GLU 115 Cb 0.10 -2.27 0.00 0.00 0.00 0.00 0.00 31.44 29.27 2i2t n GLU 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2i2t n ALA 116 N -0.41 0.78 0.03 4.31 0.00 -0.12 -4.68 120.51 120.43 2i2t n ALA 116 Ca 0.40 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.63 2i2t n ALA 116 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 2i2t n ALA 116 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2i2t h PHE 117 N 0.00 0.51 -0.30 0.00 0.04 -0.47 0.29 116.94 117.01 2i2t h PHE 117 Ca 0.00 -0.37 0.09 0.00 2.80 0.00 0.00 57.97 60.49 2i2t h PHE 117 Cb 0.00 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 2i2t h PHE 117 CO 0.00 1.41 0.23 -0.22 -0.60 0.00 0.00 178.31 179.13 2i2t h LYS 118 N -0.34 0.00 0.13 1.51 3.64 -1.70 1.76 116.57 121.57 2i2t h LYS 118 Ca -0.21 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.87 2i2t h LYS 118 Cb 1.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 2i2t h LYS 118 CO 0.11 0.00 -1.43 1.25 -2.27 0.00 0.00 179.45 177.11 2i2t h LEU 119 N 0.00 0.43 0.00 5.20 6.46 -1.81 -3.39 115.31 122.21 2i2t h LEU 119 Ca 0.14 -0.54 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 2i2t h LEU 119 Cb 0.59 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2i2t h LEU 119 CO -0.00 1.44 0.00 0.00 -0.62 0.00 0.00 178.44 179.26 2i2t n ALA 120 N -2.62 -0.14 -1.35 1.25 0.00 0.24 -4.15 120.51 113.73 2i2t n ALA 120 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 2i2t n ALA 120 Cb 1.04 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.37 2i2t n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2t n ALA 121 N -1.21 0.32 -1.18 0.00 0.00 0.53 -1.55 120.51 117.43 2i2t n ALA 121 Ca 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 53.44 51.11 2i2t n ALA 121 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.01 2i2t n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2t n ALA 122 N 17.76 0.00 -0.03 0.00 0.00 -1.26 -4.78 120.51 132.19 2i2t n ALA 122 Ca 0.42 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.87 2i2t n ALA 122 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 2i2t n ALA 122 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2i2t n LYS 123 N 0.00 1.13 -2.78 0.00 4.76 -0.60 -5.00 118.16 115.68 2i2t n LYS 123 Ca 0.00 -0.07 -0.33 0.00 -2.87 0.00 0.00 58.31 55.04 2i2t n LYS 123 Cb 0.09 -1.33 -0.06 0.00 -1.84 0.00 0.00 35.03 31.89 2i2t n LYS 123 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2i2t s LEU 124 N -4.43 3.89 -0.11 -0.35 1.43 -1.26 -4.96 118.68 112.89 2i2t s LEU 124 Ca -0.06 1.60 -0.25 0.00 -1.03 0.00 0.00 54.13 54.40 2i2t s LEU 124 Cb 0.06 -4.46 -0.21 0.00 0.03 0.00 0.00 46.19 41.61 2i2t s LEU 124 CO 0.55 -0.39 0.75 -0.65 0.23 0.00 0.00 176.35 176.85 2i2t h PRO 125 N 1.73 -0.02 -6.55 1.29 0.11 -1.94 -3.45 132.00 123.17 2i2t h PRO 125 Ca -0.48 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.10 2i2t h PRO 125 Cb 1.18 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.32 2i2t h PRO 125 CO 0.62 0.75 0.69 0.42 -0.21 0.00 0.00 178.00 180.26 2i2t s ILE 126 N -2.51 3.42 1.15 4.15 1.09 -1.26 -5.00 121.20 122.24 2i2t s ILE 126 Ca -0.16 1.03 -0.17 0.00 -1.10 0.00 0.00 60.65 60.25 2i2t s ILE 126 Cb -0.02 -3.66 0.16 0.00 -1.06 0.00 0.00 42.46 37.88 2i2t s ILE 126 CO 0.59 0.09 0.25 2.29 -0.10 0.00 0.00 174.94 178.05 2i2t n LYS 127 N 3.83 -1.93 -1.12 2.79 0.00 -1.26 -4.94 118.16 115.53 2i2t n LYS 127 Ca 0.11 -0.54 0.00 0.00 -0.00 0.00 0.00 58.31 57.87 2i2t n LYS 127 Cb 0.43 -1.81 0.00 0.00 -0.00 0.00 0.00 35.03 33.65 2i2t n LYS 127 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2i2t n THR 128 N -4.62 0.00 -3.60 0.58 -2.24 -1.12 -4.18 114.28 99.10 2i2t n THR 128 Ca 0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.71 2i2t n THR 128 Cb 0.60 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 2i2t n THR 128 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2i2t s THR 129 N -2.31 0.00 0.49 4.28 -1.32 -1.23 -4.86 115.64 110.69 2i2t s THR 129 Ca 0.00 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.32 2i2t s THR 129 Cb 0.00 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.91 2i2t s THR 129 CO 0.00 0.00 0.94 0.12 -2.21 0.00 0.00 174.62 173.47 2i2t s PHE 130 N -1.06 3.45 0.01 9.09 5.36 -1.26 -1.28 117.98 132.29 2i2t s PHE 130 Ca 0.01 1.39 0.02 0.00 -0.96 0.00 0.00 56.93 57.40 2i2t s PHE 130 Cb -0.01 -2.73 -0.01 0.00 -0.34 0.00 0.00 43.02 39.93 2i2t s PHE 130 CO -0.01 -0.30 -0.06 0.08 -1.46 0.00 0.00 175.22 173.46 2i2t s VAL 131 N -2.55 0.48 0.00 3.12 1.01 -1.19 -4.86 120.40 116.41 2i2t s VAL 131 Ca 0.58 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2i2t s VAL 131 Cb -0.10 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.82 2i2t s VAL 131 CO 0.30 -0.05 0.00 0.41 0.00 0.00 0.00 175.10 175.76 2i2t n THR 132 N 2.42 0.00 0.00 3.92 -1.04 -1.26 -4.10 114.28 114.22 2i2t n THR 132 Ca -0.16 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2i2t n THR 132 Cb 0.57 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 2i2t n THR 132 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2i2t n LYS 133 N 0.00 0.00 -2.08 -2.82 4.81 -1.26 -2.44 118.16 114.37 2i2t n LYS 133 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2i2t n LYS 133 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2i2t n LYS 133 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2i2t n THR 134 N -0.06-12.14 0.30 3.15 -1.04 -1.26 -4.57 114.28 98.66 2i2t n THR 134 Ca 0.00 3.06 -0.12 0.00 -2.04 0.00 0.00 64.05 64.95 2i2t n THR 134 Cb 0.00 -5.06 -0.06 0.00 -1.82 0.00 0.00 70.33 63.39 2i2t n THR 134 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2i2t h VAL 135 N 4.31 0.00 -0.03 12.58 2.07 -2.01 -3.49 116.25 129.69 2i2t h VAL 135 Ca 0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2i2t h VAL 135 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2i2t h VAL 135 CO 0.00 0.00 0.00 0.80 0.02 0.00 0.00 177.57 178.39