#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3inu s VAL 2 N 0.00 4.66 0.16 6.31 1.01 -1.26 -4.18 120.40 127.11 3inu s VAL 2 Ca 0.00 1.93 -0.24 0.00 0.00 0.00 0.00 61.98 63.67 3inu s VAL 2 Cb 0.00 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.20 3inu s VAL 2 CO 0.00 0.04 0.96 0.00 0.00 0.00 0.00 175.10 176.09 3inu s GLN 3 N 1.83 1.24 -0.14 2.72 -2.07 0.65 -5.00 119.66 118.89 3inu s GLN 3 Ca 0.51 -0.70 0.02 0.00 -1.82 0.00 0.00 55.36 53.37 3inu s GLN 3 Cb -0.21 0.42 0.01 0.00 -1.09 0.00 0.00 33.01 32.14 3inu s GLN 3 CO 0.21 -0.57 -0.19 -0.51 -1.32 0.00 0.00 175.29 172.91 3inu s LEU 4 N -2.98 1.96 -0.18 2.60 1.43 -1.26 -0.72 118.68 119.52 3inu s LEU 4 Ca 0.13 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.63 3inu s LEU 4 Cb -0.02 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 3inu s LEU 4 CO 0.03 0.03 -0.02 -0.76 0.23 0.00 0.00 176.35 175.86 3inu s LEU 5 N 1.02 3.22 0.10 1.79 1.43 0.21 -4.25 118.68 122.20 3inu s LEU 5 Ca -0.03 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 3inu s LEU 5 Cb -0.15 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3inu s LEU 5 CO -0.05 0.10 0.25 -1.61 0.23 0.00 0.00 176.35 175.28 3inu s GLU 6 N 0.75 3.46 0.28 1.70 2.02 -1.26 -0.30 118.70 125.35 3inu s GLU 6 Ca -0.01 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.53 3inu s GLU 6 Cb -0.14 -2.99 -0.02 0.00 0.10 0.00 0.00 34.13 31.07 3inu s GLU 6 CO 0.02 0.56 0.29 -1.54 0.02 0.00 0.00 175.26 174.61 3inu s SER 7 N -2.74 0.79 0.00 -0.19 1.04 -0.55 -4.98 113.70 107.06 3inu s SER 7 Ca 0.36 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.30 3inu s SER 7 Cb -0.12 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3inu s SER 7 CO 0.28 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3inu n GLY 8 N -0.46 -1.86 1.06 7.32 0.00 -1.26 -1.77 105.19 108.23 3inu n GLY 8 Ca 0.03 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3inu n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3inu n GLY 9 N 0.00 -2.76 0.00 -0.02 0.00 -1.26 -4.86 105.19 96.29 3inu n GLY 9 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3inu n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3inu n GLY 10 N -0.51 0.14 3.87 -0.02 0.00 -0.14 -5.00 105.19 103.54 3inu n GLY 10 Ca 0.00 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 3inu n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3inu s LEU 11 N 0.00 4.27 -0.28 0.99 2.96 -1.26 -1.43 118.68 123.92 3inu s LEU 11 Ca 0.00 0.83 -0.18 0.00 -0.22 0.00 0.00 54.13 54.57 3inu s LEU 11 Cb 0.00 -3.34 0.11 0.00 0.50 0.00 0.00 46.19 43.47 3inu s LEU 11 CO 0.00 0.05 0.85 0.54 -1.32 0.00 0.00 176.35 176.47 3inu s VAL 12 N -1.61 0.00 0.60 1.68 0.11 -0.73 -4.94 120.40 115.51 3inu s VAL 12 Ca 0.40 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.28 3inu s VAL 12 Cb -0.13 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.69 3inu s VAL 12 CO 0.21 0.00 1.13 -0.54 -3.33 0.00 0.00 175.10 172.57 3inu s LYS 13 N 1.29 3.04 0.36 1.54 1.02 -1.24 -1.19 119.74 124.54 3inu s LYS 13 Ca -0.08 1.56 -0.28 0.00 0.02 0.00 0.00 55.97 57.19 3inu s LYS 13 Cb -0.04 -1.97 -0.11 0.00 -0.52 0.00 0.00 37.83 35.19 3inu s LYS 13 CO -0.15 -1.09 1.44 -2.14 -0.92 0.00 0.00 175.35 172.49 3inu s PRO 14 N -3.63 4.18 0.00 -1.68 0.02 -1.26 -1.00 135.00 131.63 3inu s PRO 14 Ca 0.71 2.46 0.00 0.00 0.02 0.00 0.00 61.00 64.19 3inu s PRO 14 Cb -0.23 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3inu s PRO 14 CO 0.34 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.99 3inu n GLY 15 N 0.66 3.04 3.80 0.52 0.00 0.96 -4.88 105.19 109.29 3inu n GLY 15 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3inu n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3inu n GLY 16 N -2.00 -1.75 3.20 -0.02 0.00 -0.17 -2.89 105.19 101.56 3inu n GLY 16 Ca 0.00 -1.67 -0.18 0.00 0.00 0.00 0.00 46.02 44.18 3inu n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3inu s SER 17 N -5.61 1.79 -0.07 1.61 0.01 -1.26 -1.95 113.70 108.22 3inu s SER 17 Ca 0.75 -0.74 -0.10 0.00 1.31 0.00 0.00 55.95 57.17 3inu s SER 17 Cb -0.03 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.17 3inu s SER 17 CO 0.53 -0.14 0.26 -0.22 0.41 0.00 0.00 173.24 174.08 3inu s LEU 18 N -2.17 1.04 -0.17 2.44 2.96 0.26 -4.98 118.68 118.04 3inu s LEU 18 Ca 0.04 0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 3inu s LEU 18 Cb -0.07 0.96 0.02 0.00 0.50 0.00 0.00 46.19 47.61 3inu s LEU 18 CO 0.02 -0.22 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.06 3inu s ARG 19 N -0.43 2.69 0.26 1.98 3.00 -1.26 0.17 118.95 125.35 3inu s ARG 19 Ca -0.05 -0.77 -0.10 0.00 -1.00 0.00 0.00 55.73 53.81 3inu s ARG 19 Cb -0.04 -2.43 -0.07 0.00 0.00 0.00 0.00 34.95 32.41 3inu s ARG 19 CO 0.01 -0.25 0.60 -0.51 0.00 0.00 0.00 175.30 175.15 3inu s LEU 20 N 1.35 4.12 0.14 -0.88 1.43 0.58 -4.51 118.68 120.91 3inu s LEU 20 Ca 0.04 0.98 0.08 0.00 -1.03 0.00 0.00 54.13 54.20 3inu s LEU 20 Cb -0.13 -3.76 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 3inu s LEU 20 CO -0.12 -0.13 -0.18 -0.44 0.23 0.00 0.00 176.35 175.71 3inu s SER 21 N -2.45 2.51 -0.06 2.29 0.01 -0.73 -2.04 113.70 113.22 3inu s SER 21 Ca 0.49 -0.79 -0.03 0.00 1.31 0.00 0.00 55.95 56.92 3inu s SER 21 Cb -0.11 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.02 3inu s SER 21 CO 0.22 -0.02 0.15 0.00 0.41 0.00 0.00 173.24 173.99 3inu s ALA 23 N 0.96 2.47 0.08 0.00 0.00 0.59 -0.32 121.76 125.53 3inu s ALA 23 Ca -0.07 -0.92 -0.20 0.00 0.00 0.00 0.00 51.96 50.77 3inu s ALA 23 Cb -0.09 -1.07 -0.07 0.00 0.00 0.00 0.00 23.12 21.89 3inu s ALA 23 CO -0.05 0.27 0.60 0.00 0.00 0.00 0.00 175.76 176.58 3inu s ALA 24 N 0.31 3.56 -0.02 0.00 0.00 -0.42 -0.61 121.76 124.58 3inu s ALA 24 Ca -0.13 0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.91 3inu s ALA 24 Cb -0.16 -2.68 0.01 0.00 0.00 0.00 0.00 23.12 20.29 3inu s ALA 24 CO 0.07 0.37 -0.02 -1.54 0.00 0.00 0.00 175.76 174.63 3inu s SER 25 N -1.03 0.48 0.00 0.00 1.04 0.10 -4.82 113.70 109.46 3inu s SER 25 Ca 0.30 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.67 3inu s SER 25 Cb -0.20 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.76 3inu s SER 25 CO 0.20 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.00 3inu n GLY 26 N 3.58 0.77 3.81 7.32 0.00 -1.26 -0.26 105.19 119.15 3inu n GLY 26 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 3inu n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3inu s PHE 27 N -2.26 -0.05 -0.17 1.61 -0.12 -1.26 -4.61 117.98 111.12 3inu s PHE 27 Ca 0.00 -0.34 0.01 0.00 -0.05 0.00 0.00 56.93 56.55 3inu s PHE 27 Cb 0.00 0.69 0.02 0.00 -0.63 0.00 0.00 43.02 43.10 3inu s PHE 27 CO 0.00 -1.00 -0.20 0.95 -0.05 0.00 0.00 175.22 174.93 3inu s THR 28 N -2.94 2.13 0.54 -4.49 -4.23 -1.26 -4.92 115.64 100.47 3inu s THR 28 Ca 0.15 -0.92 0.34 0.00 -1.18 0.00 0.00 61.69 60.07 3inu s THR 28 Cb -0.03 -1.89 0.51 0.00 1.34 0.00 0.00 72.50 72.44 3inu s THR 28 CO 0.05 0.54 1.86 0.25 -0.54 0.00 0.00 174.62 176.77 3inu h LEU 29 N 7.81 0.00 -2.13 4.79 5.85 -1.88 -1.90 115.31 127.85 3inu h LEU 29 Ca -0.43 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.37 3inu h LEU 29 Cb 1.15 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3inu h LEU 29 CO 0.62 0.00 0.27 -0.29 -0.34 0.00 0.00 178.44 178.70 3inu h ILE 30 N 0.00 0.54 0.00 4.05 6.09 -1.94 -2.16 117.51 124.09 3inu h ILE 30 Ca 0.48 0.00 -0.16 0.00 -1.37 0.00 0.00 64.86 63.81 3inu h ILE 30 Cb 1.91 0.80 -0.02 0.00 0.47 0.00 0.00 36.82 39.98 3inu h ILE 30 CO -0.01 0.00 -0.84 0.78 -3.07 0.00 0.00 178.15 175.01 3inu h ASN 31 N 0.00 0.00 -3.03 2.19 2.35 -1.75 -3.45 115.58 111.89 3inu h ASN 31 Ca 0.13 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.26 3inu h ASN 31 Cb 0.66 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.90 3inu h ASN 31 CO -0.00 0.71 -0.70 -0.31 -1.65 0.00 0.00 177.43 175.48 3inu s TYR 32 N -2.85 2.72 -0.04 1.19 1.51 -0.81 -4.94 117.35 114.13 3inu s TYR 32 Ca 0.02 -0.18 -0.27 0.00 -1.01 0.00 0.00 57.07 55.63 3inu s TYR 32 Cb 0.09 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 3inu s TYR 32 CO 0.78 0.50 0.83 0.50 -1.11 0.00 0.00 175.55 177.06 3inu s ARG 33 N -2.79 4.49 0.14 -0.62 3.52 -1.26 -4.01 118.95 118.43 3inu s ARG 33 Ca 0.25 1.14 0.05 0.00 -0.13 0.00 0.00 55.73 57.04 3inu s ARG 33 Cb -0.09 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 3inu s ARG 33 CO 0.16 0.00 0.07 -1.64 -0.81 0.00 0.00 175.30 173.08 3inu s MET 34 N 0.92 2.70 0.14 5.12 -1.94 -0.60 -1.58 119.30 124.06 3inu s MET 34 Ca 0.44 -0.90 -0.04 0.00 -1.71 0.00 0.00 55.69 53.48 3inu s MET 34 Cb -0.19 -2.56 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 3inu s MET 34 CO 0.23 0.50 0.15 -0.80 -0.01 0.00 0.00 175.02 175.08 3inu s ASN 35 N -2.81 0.20 -0.02 3.03 0.01 0.57 -0.93 114.94 114.99 3inu s ASN 35 Ca 0.29 -1.08 0.07 0.00 -0.71 0.00 0.00 52.86 51.43 3inu s ASN 35 Cb -0.10 0.35 -0.02 0.00 0.41 0.00 0.00 41.25 41.89 3inu s ASN 35 CO 0.21 -0.79 -0.25 0.26 -1.51 0.00 0.00 177.10 175.02 3inu s TRP 36 N -4.02 2.22 -0.01 2.20 0.52 0.25 -0.60 118.94 119.51 3inu s TRP 36 Ca 0.22 -0.45 0.03 0.00 0.02 0.00 0.00 56.10 55.91 3inu s TRP 36 Cb 0.06 -1.43 -0.01 0.00 -1.15 0.00 0.00 33.47 30.94 3inu s TRP 36 CO 0.01 -0.06 -0.09 0.08 0.02 0.00 0.00 176.95 176.91 3inu s VAL 37 N -0.52 0.71 0.21 4.03 1.01 0.17 -1.16 120.40 124.86 3inu s VAL 37 Ca 0.08 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.76 3inu s VAL 37 Cb -0.10 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 3inu s VAL 37 CO -0.00 0.20 -0.15 0.00 0.00 0.00 0.00 175.10 175.14 3inu s ARG 38 N -0.20 1.38 -0.22 2.72 1.70 0.18 0.11 118.95 124.62 3inu s ARG 38 Ca 0.03 -1.61 -0.04 0.00 -0.47 0.00 0.00 55.73 53.65 3inu s ARG 38 Cb -0.04 -1.23 0.10 0.00 -0.57 0.00 0.00 34.95 33.22 3inu s ARG 38 CO -0.00 0.21 0.26 -1.14 -1.08 0.00 0.00 175.30 173.55 3inu s GLN 39 N -3.58 0.23 0.41 3.89 0.74 0.44 -0.86 119.66 120.94 3inu s GLN 39 Ca 0.23 0.28 -0.26 0.00 0.05 0.00 0.00 55.36 55.66 3inu s GLN 39 Cb -0.02 -1.02 -0.09 0.00 1.10 0.00 0.00 33.01 32.99 3inu s GLN 39 CO 0.08 -0.66 1.29 0.00 -0.55 0.00 0.00 175.29 175.45 3inu s ALA 40 N 2.38 3.24 0.04 1.58 0.00 -1.26 -0.93 121.76 126.81 3inu s ALA 40 Ca 0.08 1.21 -0.37 0.00 0.00 0.00 0.00 51.96 52.88 3inu s ALA 40 Cb -0.16 -3.48 -0.16 0.00 0.00 0.00 0.00 23.12 19.32 3inu s ALA 40 CO -0.14 -0.81 1.41 -2.30 0.00 0.00 0.00 175.76 173.93 3inu n PRO 41 N 0.09 1.20 -0.63 0.00 -0.02 -1.26 -0.71 135.00 133.67 3inu n PRO 41 Ca 0.04 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3inu n PRO 41 Cb 0.44 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3inu n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3inu n GLY 42 N 2.80 1.06 3.01 -1.23 0.00 -1.26 -5.00 105.19 104.58 3inu n GLY 42 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 3inu n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3inu n LYS 43 N -2.00 0.98 -0.29 1.61 4.76 0.11 -5.15 118.16 118.18 3inu n LYS 43 Ca 0.00 -3.05 -0.06 0.00 -2.87 0.00 0.00 58.31 52.33 3inu n LYS 43 Cb 0.00 0.79 0.05 0.00 -1.84 0.00 0.00 35.03 34.03 3inu n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3inu n GLY 44 N -0.04 -1.94 3.84 0.72 0.00 -1.26 -4.71 105.19 101.80 3inu n GLY 44 Ca -0.17 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 3inu n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3inu s LEU 45 N 0.00 4.21 -0.09 0.99 1.43 -1.26 -4.21 118.68 119.76 3inu s LEU 45 Ca 0.15 0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.62 3inu s LEU 45 Cb -0.01 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.16 3inu s LEU 45 CO 0.11 0.39 -0.00 -0.70 0.23 0.00 0.00 176.35 176.37 3inu s GLU 46 N -1.11 0.70 0.33 1.70 2.12 -0.04 -4.99 118.70 117.40 3inu s GLU 46 Ca 0.16 0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.23 3inu s GLU 46 Cb -0.12 -1.14 -0.10 0.00 0.26 0.00 0.00 34.13 33.02 3inu s GLU 46 CO 0.05 -0.33 1.35 -0.46 -0.54 0.00 0.00 175.26 175.33 3inu s TRP 47 N 1.94 2.98 -0.08 5.30 -0.00 -1.26 -0.65 118.94 127.17 3inu s TRP 47 Ca 0.04 1.34 -0.04 0.00 -0.00 0.00 0.00 56.10 57.44 3inu s TRP 47 Cb -0.13 -3.74 -0.03 0.00 -0.00 0.00 0.00 33.47 29.57 3inu s TRP 47 CO -0.06 -2.10 -0.10 0.28 -0.00 0.00 0.00 176.95 174.97 3inu n VAL 48 N 0.93 0.42 -3.53 5.86 0.31 -0.30 -4.64 118.33 117.38 3inu n VAL 48 Ca 0.01 -0.11 -0.14 0.00 -0.01 0.00 0.00 64.34 64.09 3inu n VAL 48 Cb 0.41 -1.59 -0.05 0.00 -0.91 0.00 0.00 33.84 31.70 3inu n VAL 48 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3inu s SER 49 N -5.68 -0.52 0.03 4.52 0.15 -1.15 -1.02 113.70 110.04 3inu s SER 49 Ca -0.11 0.45 0.01 0.00 0.70 0.00 0.00 55.95 57.01 3inu s SER 49 Cb 0.04 0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 64.78 3inu s SER 49 CO 0.14 -0.56 -0.06 -0.94 1.20 0.00 0.00 173.24 173.02 3inu s SER 50 N -1.49 0.57 0.00 5.45 1.04 -0.37 -0.58 113.70 118.32 3inu s SER 50 Ca -0.05 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.87 3inu s SER 50 Cb -0.00 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.18 3inu s SER 50 CO 0.02 -0.24 0.00 0.00 0.98 0.00 0.00 173.24 174.01 3inu n ILE 51 N 1.59 0.00 0.02 -1.02 3.06 -0.11 -1.83 119.36 121.07 3inu n ILE 51 Ca -0.23 0.00 -0.21 0.00 -2.50 0.00 0.00 62.75 59.81 3inu n ILE 51 Cb 0.55 0.00 -0.14 0.00 0.54 0.00 0.00 39.64 40.59 3inu n ILE 51 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 3inu h SER 52 N 0.00 0.42 0.30 9.51 0.87 -1.87 -1.60 113.55 121.18 3inu h SER 52 Ca 0.00 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 3inu h SER 52 Cb 0.00 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3inu h SER 52 CO 0.00 1.58 0.00 -1.54 -0.53 0.00 0.00 176.83 176.34 3inu n SER 53 N -3.95 0.00 -0.30 6.23 3.41 -1.26 -4.88 113.62 112.88 3inu n SER 53 Ca -0.22 -0.43 -0.04 0.00 -0.26 0.00 0.00 58.87 57.91 3inu n SER 53 Cb 0.90 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.66 3inu n SER 53 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3inu n SER 54 N -1.17 -4.62 0.03 4.04 7.64 -1.26 -4.90 113.62 113.39 3inu n SER 54 Ca 0.16 0.10 -0.19 0.00 1.01 0.00 0.00 58.87 59.95 3inu n SER 54 Cb 0.17 -2.46 -0.14 0.00 -1.01 0.00 0.00 64.21 60.76 3inu n SER 54 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3inu h SER 55 N 0.00 0.42 -3.74 6.43 0.02 -1.96 -3.42 113.55 111.30 3inu h SER 55 Ca -0.08 -0.75 -0.65 0.00 -0.84 0.00 0.00 61.79 59.47 3inu h SER 55 Cb 0.64 -0.14 -0.16 0.00 0.14 0.00 0.00 62.40 62.88 3inu h SER 55 CO 0.12 1.65 -0.33 -0.47 -1.14 0.00 0.00 176.83 176.66 3inu s TYR 56 N -2.58 3.23 0.01 3.45 5.04 -1.26 -5.06 117.35 120.17 3inu s TYR 56 Ca -0.16 0.15 0.04 0.00 -2.44 0.00 0.00 57.07 54.67 3inu s TYR 56 Cb 0.06 -2.56 -0.01 0.00 0.35 0.00 0.00 41.96 39.80 3inu s TYR 56 CO 0.82 -0.30 -0.13 0.42 -1.34 0.00 0.00 175.55 175.02 3inu s ILE 57 N 1.97 1.01 -0.16 3.14 1.01 -1.26 -4.32 121.20 122.58 3inu s ILE 57 Ca 0.12 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 3inu s ILE 57 Cb -0.16 -0.87 0.04 0.00 0.01 0.00 0.00 42.46 41.48 3inu s ILE 57 CO 0.11 0.16 0.42 -2.28 0.00 0.00 0.00 174.94 173.35 3inu s HIS 58 N -0.51 -0.48 0.17 3.97 2.46 -0.76 -5.01 115.29 115.13 3inu s HIS 58 Ca 0.03 1.15 0.09 0.00 0.47 0.00 0.00 55.06 56.80 3inu s HIS 58 Cb -0.06 0.18 -0.04 0.00 -0.13 0.00 0.00 32.58 32.52 3inu s HIS 58 CO 0.00 -0.24 -0.19 0.71 -2.47 0.00 0.00 174.74 172.56 3inu s TYR 59 N 0.40 1.86 0.27 3.88 1.51 -1.26 -1.24 117.35 122.77 3inu s TYR 59 Ca -0.01 -0.46 -0.26 0.00 -1.01 0.00 0.00 57.07 55.33 3inu s TYR 59 Cb -0.04 -0.92 -0.09 0.00 -0.11 0.00 0.00 41.96 40.80 3inu s TYR 59 CO -0.01 0.36 0.88 0.00 -1.11 0.00 0.00 175.55 175.66 3inu s ALA 60 N -2.08 3.30 0.45 3.71 0.00 -0.19 -4.87 121.76 122.10 3inu s ALA 60 Ca 0.17 0.46 0.22 0.00 0.00 0.00 0.00 51.96 52.80 3inu s ALA 60 Cb -0.06 -3.09 1.21 0.00 0.00 0.00 0.00 23.12 21.18 3inu s ALA 60 CO 0.07 0.23 1.86 -0.44 0.00 0.00 0.00 175.76 177.48 3inu h ASP 61 N 3.55 0.28 0.28 0.00 3.45 -1.94 0.31 116.42 122.35 3inu h ASP 61 Ca -0.47 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.00 3inu h ASP 61 Cb 1.20 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.94 3inu h ASP 61 CO 0.66 0.11 -0.11 0.77 -1.57 0.00 0.00 179.24 179.10 3inu h SER 62 N 0.28 0.00 -0.00 6.45 4.64 -1.96 -3.16 113.55 119.80 3inu h SER 62 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3inu h SER 62 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3inu h SER 62 CO -0.13 0.11 -0.31 1.33 -0.87 0.00 0.00 176.83 176.96 3inu n VAL 63 N -3.77 0.00 -1.56 0.95 0.24 0.93 -5.00 118.33 110.12 3inu n VAL 63 Ca -0.02 -0.35 -0.54 0.00 -2.04 0.00 0.00 64.34 61.39 3inu n VAL 63 Cb 0.21 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.53 3inu n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3inu n LYS 64 N -1.05 0.79 0.00 7.34 5.02 -0.30 -1.13 118.16 128.84 3inu n LYS 64 Ca 0.02 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 3inu n LYS 64 Cb 0.12 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 3inu n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3inu n GLY 65 N 2.22 1.58 0.00 0.72 0.00 -1.26 -4.81 105.19 103.63 3inu n GLY 65 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3inu n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3inu n ARG 66 N -2.00 2.37 -4.50 1.61 1.74 -0.28 -4.99 116.66 110.61 3inu n ARG 66 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3inu n ARG 66 Cb 0.00 -0.83 -0.11 0.00 -1.02 0.00 0.00 32.46 30.49 3inu n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3inu s PHE 67 N -1.52 2.73 -0.20 -1.55 0.40 -1.07 0.48 117.98 117.24 3inu s PHE 67 Ca 0.00 -0.15 -0.02 0.00 -0.60 0.00 0.00 56.93 56.16 3inu s PHE 67 Cb 0.00 -1.52 0.06 0.00 0.51 0.00 0.00 43.02 42.07 3inu s PHE 67 CO 0.00 0.33 0.02 0.99 0.70 0.00 0.00 175.22 177.26 3inu s THR 68 N -1.01 0.72 0.40 0.64 2.01 0.47 -4.91 115.64 113.96 3inu s THR 68 Ca 0.17 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.33 3inu s THR 68 Cb -0.11 -1.18 -0.08 0.00 0.01 0.00 0.00 72.50 71.13 3inu s THR 68 CO 0.08 -0.19 0.83 -0.51 -0.69 0.00 0.00 174.62 174.13 3inu s ILE 69 N 1.77 4.63 0.16 1.82 2.07 -1.26 -1.31 121.20 129.08 3inu s ILE 69 Ca -0.02 1.00 -0.20 0.00 -1.41 0.00 0.00 60.65 60.02 3inu s ILE 69 Cb -0.17 -3.66 0.05 0.00 0.13 0.00 0.00 42.46 38.81 3inu s ILE 69 CO -0.08 -0.39 0.53 -0.55 -1.91 0.00 0.00 174.94 172.54 3inu s SER 70 N -2.65 -0.41 -0.07 4.50 0.15 -0.54 -4.96 113.70 109.71 3inu s SER 70 Ca 0.56 -0.19 -0.21 0.00 0.70 0.00 0.00 55.95 56.81 3inu s SER 70 Cb -0.10 0.56 0.05 0.00 -1.71 0.00 0.00 66.02 64.82 3inu s SER 70 CO 0.23 -0.96 0.48 -0.60 1.20 0.00 0.00 173.24 173.59 3inu s ARG 71 N -3.79 0.78 -0.37 5.44 3.52 -1.26 -1.33 118.95 121.94 3inu s ARG 71 Ca 0.03 0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.83 3inu s ARG 71 Cb -0.00 0.36 0.15 0.00 -1.56 0.00 0.00 34.95 33.90 3inu s ARG 71 CO -0.10 -0.20 0.25 0.34 -0.81 0.00 0.00 175.30 174.77 3inu s ASP 72 N -0.89 2.52 0.20 -2.12 -1.08 -0.43 -5.00 116.67 109.87 3inu s ASP 72 Ca -0.09 -2.44 -0.11 0.00 -0.52 0.00 0.00 52.55 49.38 3inu s ASP 72 Cb -0.03 -0.41 0.14 0.00 -1.46 0.00 0.00 42.92 41.16 3inu s ASP 72 CO 0.05 -0.27 1.85 0.78 0.52 0.00 0.00 175.17 178.10 3inu h ASN 73 N 6.62 0.70 -0.27 -0.34 2.35 -1.92 -0.11 115.58 122.61 3inu h ASN 73 Ca 0.12 -0.01 0.08 0.00 -0.55 0.00 0.00 56.30 55.94 3inu h ASN 73 Cb 0.95 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 3inu h ASN 73 CO 0.29 0.49 0.31 0.00 -1.65 0.00 0.00 177.43 176.87 3inu h ALA 74 N 1.26 1.90 -0.34 -0.83 0.00 -1.95 0.81 119.26 120.11 3inu h ALA 74 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3inu h ALA 74 Cb -0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3inu h ALA 74 CO -0.08 -0.44 0.00 0.39 0.00 0.00 0.00 179.25 179.11 3inu n GLU 75 N -3.71 2.60 -3.71 0.00 1.02 -0.15 -4.97 120.64 111.71 3inu n GLU 75 Ca 0.04 -2.01 -0.28 0.00 -0.02 0.00 0.00 57.16 54.89 3inu n GLU 75 Cb 0.45 -1.29 0.03 0.00 -0.02 0.00 0.00 31.44 30.61 3inu n GLU 75 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3inu n ASN 76 N 0.64 -5.16 -4.17 1.62 5.15 0.28 -4.85 115.26 108.76 3inu n ASN 76 Ca 0.12 -0.65 -0.20 0.00 -0.60 0.00 0.00 54.58 53.25 3inu n ASN 76 Cb 0.43 -4.12 -0.13 0.00 -0.53 0.00 0.00 39.78 35.43 3inu n ASN 76 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3inu s SER 77 N -3.18 1.78 0.07 1.20 0.01 -1.06 -1.30 113.70 111.22 3inu s SER 77 Ca 0.59 -0.51 0.08 0.00 1.31 0.00 0.00 55.95 57.42 3inu s SER 77 Cb -0.29 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.81 3inu s SER 77 CO 0.73 0.02 -0.21 -0.22 0.41 0.00 0.00 173.24 173.98 3inu s LEU 78 N -1.32 2.22 0.03 2.44 2.96 0.56 -1.31 118.68 124.26 3inu s LEU 78 Ca 0.02 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 3inu s LEU 78 Cb -0.09 -0.92 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 3inu s LEU 78 CO 0.02 0.11 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.77 3inu s TYR 79 N -0.96 0.69 -0.13 5.38 1.51 -0.44 -0.38 117.35 123.02 3inu s TYR 79 Ca 0.07 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.73 3inu s TYR 79 Cb -0.09 -0.42 0.04 0.00 -0.11 0.00 0.00 41.96 41.37 3inu s TYR 79 CO 0.03 -0.05 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.21 3inu s LEU 80 N -1.21 1.17 -0.37 -1.29 2.96 -0.87 -1.47 118.68 117.60 3inu s LEU 80 Ca -0.06 -0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 53.29 3inu s LEU 80 Cb -0.08 -0.73 0.00 0.00 0.50 0.00 0.00 46.19 45.88 3inu s LEU 80 CO 0.00 -0.18 0.26 -1.58 -1.32 0.00 0.00 176.35 173.53 3inu s GLN 81 N 1.77 3.24 -0.28 1.98 0.74 -0.43 -0.30 119.66 126.39 3inu s GLN 81 Ca 0.03 -0.82 -0.11 0.00 0.05 0.00 0.00 55.36 54.51 3inu s GLN 81 Cb -0.14 -3.85 -0.05 0.00 1.10 0.00 0.00 33.01 30.07 3inu s GLN 81 CO -0.07 -0.57 0.18 -1.64 -0.55 0.00 0.00 175.29 172.64 3inu s MET 82 N 1.69 3.95 0.21 1.67 -1.94 0.13 -0.39 119.30 124.61 3inu s MET 82 Ca 0.05 -0.32 0.08 0.00 -1.71 0.00 0.00 55.69 53.80 3inu s MET 82 Cb -0.18 -3.64 -0.05 0.00 2.01 0.00 0.00 34.83 32.97 3inu s MET 82 CO 0.10 -0.17 -0.16 -0.80 -0.01 0.00 0.00 175.02 173.99 3inu s ASN 82 N 1.72 2.74 -1.47 3.03 0.01 0.18 -0.58 114.94 120.58 3inu s ASN 82 Ca 0.07 -1.01 -0.02 0.00 -0.71 0.00 0.00 52.86 51.19 3inu s ASN 82 Cb -0.16 -0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.34 3inu s ASN 82 CO 0.10 -0.13 0.22 -1.20 -1.51 0.00 0.00 177.10 174.59 3inu n SER 82 N -0.37 0.06 -4.76 -1.22 7.64 -0.98 -4.65 113.62 109.34 3inu n SER 82 Ca -0.08 -1.16 -0.35 0.00 1.01 0.00 0.00 58.87 58.29 3inu n SER 82 Cb 0.60 -2.24 0.03 0.00 -1.01 0.00 0.00 64.21 61.59 3inu n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3inu s LEU 82 N -7.20 3.61 0.23 -3.43 1.43 -0.82 -4.53 118.68 107.97 3inu s LEU 82 Ca 0.04 2.20 0.04 0.00 -1.03 0.00 0.00 54.13 55.38 3inu s LEU 82 Cb -0.02 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.57 3inu s LEU 82 CO 0.95 -1.49 -0.03 0.00 0.23 0.00 0.00 176.35 176.01 3inu s ARG 83 N -3.53 1.36 0.29 1.70 1.70 -1.26 -0.03 118.95 119.18 3inu s ARG 83 Ca 0.73 -1.68 0.04 0.00 -0.47 0.00 0.00 55.73 54.35 3inu s ARG 83 Cb -0.25 -0.75 0.76 0.00 -0.57 0.00 0.00 34.95 34.14 3inu s ARG 83 CO 0.33 -0.04 1.66 0.00 -1.08 0.00 0.00 175.30 176.17 3inu h ALA 84 N 2.46 1.39 0.00 7.88 0.00 -1.97 0.47 119.26 129.48 3inu h ALA 84 Ca -0.38 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3inu h ALA 84 Cb 1.22 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3inu h ALA 84 CO 0.65 -0.45 0.00 0.39 0.00 0.00 0.00 179.25 179.84 3inu n GLU 85 N -5.17 0.09 0.00 0.00 4.71 -1.26 -1.09 120.64 117.93 3inu n GLU 85 Ca 0.23 0.59 0.14 0.00 -0.01 0.00 0.00 57.16 58.10 3inu n GLU 85 Cb 0.71 -1.79 0.58 0.00 -1.01 0.00 0.00 31.44 29.93 3inu n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3inu n ASP 86 N -1.98 0.55 -4.67 1.62 8.00 0.16 -4.86 116.55 115.37 3inu n ASP 86 Ca -0.01 -0.63 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 3inu n ASP 86 Cb 0.02 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 3inu n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3inu s THR 87 N -2.47 3.28 -0.05 -3.53 2.01 -0.25 -4.87 115.64 109.76 3inu s THR 87 Ca 0.29 0.53 -0.31 0.00 0.31 0.00 0.00 61.69 62.50 3inu s THR 87 Cb 0.20 -3.34 0.13 0.00 0.01 0.00 0.00 72.50 69.50 3inu s THR 87 CO 0.48 -0.03 1.35 0.00 -0.69 0.00 0.00 174.62 175.73 3inu s ALA 88 N 3.48 -2.40 -0.06 7.40 0.00 -0.21 -4.54 121.76 125.41 3inu s ALA 88 Ca 0.76 0.65 -0.25 0.00 0.00 0.00 0.00 51.96 53.12 3inu s ALA 88 Cb -0.37 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 3inu s ALA 88 CO 0.32 -1.08 0.79 0.08 0.00 0.00 0.00 175.76 175.87 3inu s VAL 89 N -2.20 4.98 -0.22 0.00 1.01 -0.11 -0.25 120.40 123.61 3inu s VAL 89 Ca 0.18 1.62 -0.07 0.00 0.00 0.00 0.00 61.98 63.71 3inu s VAL 89 Cb 0.05 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3inu s VAL 89 CO -0.04 0.20 0.05 -0.31 0.00 0.00 0.00 175.10 174.99 3inu s TYR 90 N 1.04 3.10 -0.13 5.22 1.51 0.95 -0.42 117.35 128.61 3inu s TYR 90 Ca 0.41 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 56.09 3inu s TYR 90 Cb -0.18 -2.17 -0.03 0.00 -0.11 0.00 0.00 41.96 39.47 3inu s TYR 90 CO 0.20 -0.23 0.01 0.71 -1.11 0.00 0.00 175.55 175.12 3inu s TYR 91 N 1.22 3.15 0.11 2.71 2.02 0.30 -2.19 117.35 124.67 3inu s TYR 91 Ca 0.04 0.02 -0.22 0.00 -0.37 0.00 0.00 57.07 56.54 3inu s TYR 91 Cb -0.14 -1.92 -0.07 0.00 -0.40 0.00 0.00 41.96 39.42 3inu s TYR 91 CO 0.03 0.23 0.66 0.00 -1.57 0.00 0.00 175.55 174.90 3inu s VAL 93 N -1.03 0.58 -0.01 0.00 1.01 0.23 -0.52 120.40 120.66 3inu s VAL 93 Ca 0.32 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.90 3inu s VAL 93 Cb -0.21 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 3inu s VAL 93 CO 0.22 0.22 0.58 -0.60 0.00 0.00 0.00 175.10 175.52 3inu s ARG 94 N 0.60 4.30 0.19 2.72 3.52 -0.25 -0.31 118.95 129.72 3inu s ARG 94 Ca -0.08 0.71 -0.19 0.00 -0.13 0.00 0.00 55.73 56.04 3inu s ARG 94 Cb -0.12 -3.34 -0.08 0.00 -1.56 0.00 0.00 34.95 29.85 3inu s ARG 94 CO 0.00 0.37 0.68 -2.00 -0.81 0.00 0.00 175.30 173.54 3inu s GLU 95 N -0.19 4.20 1.04 5.12 2.12 -0.62 -1.77 118.70 128.62 3inu s GLU 95 Ca 0.30 0.79 -0.13 0.00 0.36 0.00 0.00 54.97 56.29 3inu s GLU 95 Cb -0.18 -2.93 0.16 0.00 0.26 0.00 0.00 34.13 31.44 3inu s GLU 95 CO 0.17 0.43 0.72 0.41 -0.54 0.00 0.00 175.26 176.45 3inu n GLY 96 N 0.84 -1.65 0.29 -1.50 0.00 0.13 -4.51 105.19 98.79 3inu n GLY 96 Ca -0.04 -0.88 0.18 0.00 0.00 0.00 0.00 46.02 45.28 3inu n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3inu h PRO 97 N -2.11 0.00 0.00 1.61 0.13 -1.95 -2.71 132.00 126.98 3inu h PRO 97 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3inu h PRO 97 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3inu h PRO 97 CO 0.41 0.03 0.00 0.54 -0.23 0.00 0.00 178.00 178.75 3inu n ARG 98 N -3.16 0.70 -3.82 0.86 1.74 -1.26 -4.62 116.66 107.09 3inu n ARG 98 Ca -0.01 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.71 3inu n ARG 98 Cb 0.25 -1.02 -0.13 0.00 -1.02 0.00 0.00 32.46 30.54 3inu n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3inu s ALA 99 N -2.00 2.96 0.05 7.54 0.00 -1.02 -4.78 121.76 124.51 3inu s ALA 99 Ca 0.01 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.53 3inu s ALA 99 Cb 0.01 -2.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 3inu s ALA 99 CO 0.01 -0.93 -0.11 0.99 0.00 0.00 0.00 175.76 175.72 3inu s THR 100 N 1.44 0.87 0.00 0.00 2.01 -1.26 -4.16 115.64 114.54 3inu s THR 100 Ca 0.01 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 60.95 3inu s THR 100 Cb -0.17 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.49 3inu s THR 100 CO 0.01 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.36 3inu n GLY 100 N 1.64 1.59 1.41 4.40 0.00 -1.26 -0.36 105.19 112.61 3inu n GLY 100 Ca -0.20 0.47 0.10 0.00 0.00 0.00 0.00 46.02 46.39 3inu n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3inu n TYR 100 N 1.50 1.23 -1.17 1.61 4.02 -1.26 -4.76 117.16 118.33 3inu n TYR 100 Ca 0.00 -0.58 -0.29 0.00 -0.01 0.00 0.00 57.90 57.02 3inu n TYR 100 Cb 0.00 -0.16 0.21 0.00 -0.02 0.00 0.00 39.34 39.37 3inu n TYR 100 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3inu s SER 100 N -0.99 1.83 0.55 7.72 1.04 0.51 -4.98 113.70 119.39 3inu s SER 100 Ca 0.48 0.87 -0.19 0.00 0.48 0.00 0.00 55.95 57.59 3inu s SER 100 Cb 0.29 -1.31 -0.08 0.00 0.10 0.00 0.00 66.02 65.02 3inu s SER 100 CO 0.26 -3.59 0.61 0.23 0.98 0.00 0.00 173.24 171.74 3inu n MET 100 N -4.43 0.61 -1.46 4.02 2.81 -1.26 -4.84 117.12 112.56 3inu n MET 100 Ca 0.09 0.24 -0.30 0.00 -1.81 0.00 0.00 57.70 55.92 3inu n MET 100 Cb 0.59 -1.77 0.11 0.00 -0.71 0.00 0.00 33.22 31.44 3inu n MET 100 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3inu s ALA 100 N -1.65 1.95 0.48 3.04 0.00 -1.26 -4.58 121.76 119.73 3inu s ALA 100 Ca 0.69 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.43 3inu s ALA 100 Cb -0.46 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 3inu s ALA 100 CO 0.54 -2.02 0.03 0.34 0.00 0.00 0.00 175.76 174.65 3inu s ASP 100 N -3.80 3.82 0.76 0.00 3.68 -1.26 -4.84 116.67 115.03 3inu s ASP 100 Ca 0.62 -1.62 -0.12 0.00 2.13 0.00 0.00 52.55 53.56 3inu s ASP 100 Cb -0.15 0.41 0.05 0.00 -1.45 0.00 0.00 42.92 41.77 3inu s ASP 100 CO 0.55 -0.82 1.12 0.68 0.13 0.00 0.00 175.17 176.83 3inu s VAL 100 N -2.93 2.94 -0.78 1.11 -7.23 -1.26 -4.51 120.40 107.73 3inu s VAL 100 Ca 0.13 0.30 -0.21 0.00 -1.81 0.00 0.00 61.98 60.39 3inu s VAL 100 Cb 0.03 -3.23 0.09 0.00 0.56 0.00 0.00 36.38 33.83 3inu s VAL 100 CO 0.07 -0.40 1.06 -0.36 -0.31 0.00 0.00 175.10 175.17 3inu s PHE 100 N -3.36 2.81 -0.14 2.82 2.99 -1.26 0.20 117.98 122.03 3inu s PHE 100 Ca 0.60 -0.85 0.21 0.00 0.00 0.00 0.00 56.93 56.89 3inu s PHE 100 Cb -0.12 -4.33 -0.16 0.00 0.00 0.00 0.00 43.02 38.42 3inu s PHE 100 CO 0.52 -1.63 0.76 -0.40 -0.00 0.00 0.00 175.22 174.47 3inu n ASP 101 N 7.43 0.49 -3.96 1.36 5.75 -0.73 -4.84 116.55 122.06 3inu n ASP 101 Ca 0.09 0.20 -0.23 0.00 -0.01 0.00 0.00 54.79 54.83 3inu n ASP 101 Cb 0.47 1.03 -0.16 0.00 -1.03 0.00 0.00 41.12 41.42 3inu n ASP 101 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3inu s ILE 102 N -3.34 0.86 0.01 2.12 -1.09 -1.24 -5.01 121.20 113.52 3inu s ILE 102 Ca -0.04 -0.31 0.06 0.00 -2.23 0.00 0.00 60.65 58.13 3inu s ILE 102 Cb 0.11 -0.83 -0.03 0.00 -1.58 0.00 0.00 42.46 40.13 3inu s ILE 102 CO 0.84 0.30 -0.17 0.26 -1.23 0.00 0.00 174.94 174.94 3inu s TRP 103 N 0.82 2.61 1.07 3.97 0.52 -1.26 -1.09 118.94 125.58 3inu s TRP 103 Ca -0.12 -0.23 -0.15 0.00 0.02 0.00 0.00 56.10 55.62 3inu s TRP 103 Cb -0.15 -1.51 0.22 0.00 -1.15 0.00 0.00 33.47 30.88 3inu s TRP 103 CO 0.02 0.23 1.11 0.20 0.02 0.00 0.00 176.95 178.53 3inu s GLY 104 N -1.24 1.58 0.26 0.98 0.00 0.32 -4.57 107.32 104.65 3inu s GLY 104 Ca 0.14 -0.65 0.26 0.00 0.00 0.00 0.00 44.72 44.47 3inu s GLY 104 CO 0.04 0.08 1.76 1.46 0.00 0.00 0.00 173.10 176.43 3inu h GLN 105 N -2.13 0.00 0.00 2.90 7.50 -1.90 -3.45 115.11 118.03 3inu h GLN 105 Ca -0.50 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.65 3inu h GLN 105 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.85 3inu h GLN 105 CO 0.49 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 178.23 3inu n GLY 106 N 0.98 1.32 2.81 3.46 0.00 -1.26 -5.04 105.19 107.47 3inu n GLY 106 Ca 0.05 -1.70 -0.20 0.00 0.00 0.00 0.00 46.02 44.17 3inu n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3inu s THR 107 N -2.50 0.30 -0.06 2.61 2.01 -0.93 -4.92 115.64 112.15 3inu s THR 107 Ca 0.00 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 3inu s THR 107 Cb 0.00 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 3inu s THR 107 CO 0.00 0.20 1.04 -0.32 -0.69 0.00 0.00 174.62 174.85 3inu s MET 108 N 1.32 4.45 -0.14 4.92 1.75 -1.26 -0.04 119.30 130.30 3inu s MET 108 Ca -0.05 1.47 0.01 0.00 -1.25 0.00 0.00 55.69 55.86 3inu s MET 108 Cb -0.13 -3.51 -0.00 0.00 2.84 0.00 0.00 34.83 34.02 3inu s MET 108 CO -0.02 -0.27 -0.16 0.08 -0.65 0.00 0.00 175.02 174.00 3inu s VAL 109 N 1.74 2.67 -0.23 10.11 1.01 0.66 -0.96 120.40 135.39 3inu s VAL 109 Ca 0.51 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3inu s VAL 109 Cb -0.21 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 34.12 3inu s VAL 109 CO 0.22 0.52 -0.08 -0.89 0.00 0.00 0.00 175.10 174.87 3inu s THR 110 N 0.66 1.71 -0.33 3.92 2.01 -0.52 -1.05 115.64 122.04 3inu s THR 110 Ca -0.08 -1.28 -0.22 0.00 0.31 0.00 0.00 61.69 60.42 3inu s THR 110 Cb -0.16 -1.90 0.00 0.00 0.01 0.00 0.00 72.50 70.46 3inu s THR 110 CO 0.02 -0.02 0.73 -0.69 -0.69 0.00 0.00 174.62 173.97 3inu s VAL 111 N 1.32 4.82 -0.05 3.82 1.01 -1.26 -1.78 120.40 128.28 3inu s VAL 111 Ca -0.06 0.93 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 3inu s VAL 111 Cb -0.19 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.15 3inu s VAL 111 CO -0.06 -0.30 0.72 -0.55 0.00 0.00 0.00 175.10 174.91 3inu s SER 112 N 1.72 -0.62 0.01 3.32 0.15 -0.34 -4.56 113.70 113.39 3inu s SER 112 Ca 0.29 0.63 0.27 0.00 0.70 0.00 0.00 55.95 57.85 3inu s SER 112 Cb -0.14 0.51 0.91 0.00 -1.71 0.00 0.00 66.02 65.59 3inu s SER 112 CO 0.14 -0.60 1.70 -1.54 1.20 0.00 0.00 173.24 174.14 3inu n SER 113 N 0.80 0.25 -4.79 5.45 3.41 -1.26 -3.74 113.62 113.74 3inu n SER 113 Ca -0.18 0.19 -0.37 0.00 -0.26 0.00 0.00 58.87 58.25 3inu n SER 113 Cb 0.58 -0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 3inu n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3inu s ALA 114 N -3.01 3.27 0.66 7.33 0.00 -1.26 -5.04 121.76 123.71 3inu s ALA 114 Ca 0.12 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.42 3inu s ALA 114 Cb 0.18 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 3inu s ALA 114 CO 0.61 0.21 1.05 -1.54 0.00 0.00 0.00 175.76 176.09 3inu s SER 115 N -1.58 5.79 0.51 0.00 1.04 -1.26 -4.97 113.70 113.23 3inu s SER 115 Ca 0.47 1.44 -0.19 0.00 0.48 0.00 0.00 55.95 58.15 3inu s SER 115 Cb -0.19 -2.39 -0.07 0.00 0.10 0.00 0.00 66.02 63.46 3inu s SER 115 CO 0.24 -1.16 1.04 0.28 0.98 0.00 0.00 173.24 174.62 3inu s THR 116 N -3.16 3.84 -0.04 2.02 -1.32 -1.26 -4.88 115.64 110.84 3inu s THR 116 Ca 0.57 1.07 -0.01 0.00 -1.21 0.00 0.00 61.69 62.10 3inu s THR 116 Cb -0.12 -3.45 0.03 0.00 -1.51 0.00 0.00 72.50 67.45 3inu s THR 116 CO 0.54 -0.32 0.07 -0.75 -2.21 0.00 0.00 174.62 171.94 3inu s LYS 117 N -3.46 -0.04 0.38 7.08 2.20 0.53 -4.96 119.74 121.47 3inu s LYS 117 Ca 0.66 0.32 -0.16 0.00 -0.36 0.00 0.00 55.97 56.43 3inu s LYS 117 Cb -0.16 -0.35 -0.09 0.00 -1.51 0.00 0.00 37.83 35.72 3inu s LYS 117 CO 0.24 -0.25 0.82 0.20 -0.36 0.00 0.00 175.35 176.00 3inu s GLY 118 N 1.65 2.24 0.73 5.54 0.00 -1.26 -0.73 107.32 115.49 3inu s GLY 118 Ca -0.02 0.09 -0.12 0.00 0.00 0.00 0.00 44.72 44.67 3inu s GLY 118 CO -0.04 0.32 1.09 2.56 0.00 0.00 0.00 173.10 177.03 3inu s PRO 119 N -3.30 2.50 -0.17 2.90 0.04 -1.26 -4.68 135.00 131.02 3inu s PRO 119 Ca 0.56 1.18 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 3inu s PRO 119 Cb -0.10 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 3inu s PRO 119 CO 0.20 -1.46 0.17 -1.12 0.04 0.00 0.00 177.00 174.83 3inu s SER 120 N -3.26 6.31 -0.44 6.66 0.01 -0.31 -4.90 113.70 117.76 3inu s SER 120 Ca 0.62 0.35 -0.10 0.00 1.31 0.00 0.00 55.95 58.13 3inu s SER 120 Cb -0.17 -2.11 0.09 0.00 0.21 0.00 0.00 66.02 64.03 3inu s SER 120 CO 0.52 0.22 0.30 -0.69 0.41 0.00 0.00 173.24 174.00 3inu s VAL 121 N 0.05 4.40 -0.04 3.43 1.01 -1.26 -0.48 120.40 127.52 3inu s VAL 121 Ca 0.11 -1.42 -0.03 0.00 0.00 0.00 0.00 61.98 60.65 3inu s VAL 121 Cb -0.12 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3inu s VAL 121 CO 0.01 -0.57 0.13 -0.36 0.00 0.00 0.00 175.10 174.30 3inu s PHE 122 N 1.45 3.45 0.60 5.22 0.40 -0.49 -4.89 117.98 123.73 3inu s PHE 122 Ca 0.04 0.34 -0.17 0.00 -0.60 0.00 0.00 56.93 56.53 3inu s PHE 122 Cb -0.24 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 3inu s PHE 122 CO 0.02 0.63 1.12 -1.25 0.70 0.00 0.00 175.22 176.44 3inu s PRO 123 N -1.61 3.08 -0.44 0.24 0.04 -1.26 -0.20 135.00 134.85 3inu s PRO 123 Ca 0.22 1.51 -0.00 0.00 0.04 0.00 0.00 61.00 62.77 3inu s PRO 123 Cb -0.12 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 32.56 3inu s PRO 123 CO 0.13 -1.05 0.22 -0.51 0.04 0.00 0.00 177.00 175.83 3inu s LEU 124 N -4.31 5.04 -0.10 -3.56 1.43 0.26 -4.68 118.68 112.75 3inu s LEU 124 Ca 0.70 -2.32 -0.35 0.00 -1.03 0.00 0.00 54.13 51.13 3inu s LEU 124 Cb -0.22 -1.77 -0.12 0.00 0.03 0.00 0.00 46.19 44.11 3inu s LEU 124 CO 0.34 -0.44 1.85 0.00 0.23 0.00 0.00 176.35 178.33 3inu n ALA 125 N 4.15 0.76 -2.05 4.21 0.00 -1.26 -2.23 120.51 124.09 3inu n ALA 125 Ca 0.02 0.31 -0.34 0.00 0.00 0.00 0.00 53.44 53.43 3inu n ALA 125 Cb 0.40 -2.46 -0.05 0.00 0.00 0.00 0.00 19.45 17.35 3inu n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3inu n PRO 126 N 6.31 1.99 -1.90 0.00 -0.04 -1.26 -4.88 135.00 135.22 3inu n PRO 126 Ca 0.23 -2.58 -0.30 0.00 -0.04 0.00 0.00 63.50 60.81 3inu n PRO 126 Cb 0.27 -3.56 0.18 0.00 -0.04 0.00 0.00 33.50 30.35 3inu n PRO 126 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3inu s SER 127 N 5.67 3.09 0.07 3.54 1.04 -1.26 -4.59 113.70 121.27 3inu s SER 127 Ca 0.63 0.31 0.20 0.00 0.48 0.00 0.00 55.95 57.56 3inu s SER 127 Cb 0.03 -0.38 0.82 0.00 0.10 0.00 0.00 66.02 66.59 3inu s SER 127 CO 0.11 -2.75 1.62 -1.54 0.98 0.00 0.00 173.24 171.66 3inu n SER 128 N -3.79 0.21 -0.35 7.02 3.41 -1.26 -2.60 113.62 116.27 3inu n SER 128 Ca 0.15 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.38 3inu n SER 128 Cb 0.59 -0.59 0.32 0.00 -0.26 0.00 0.00 64.21 64.27 3inu n SER 128 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3inu n LYS 129 N -1.73 1.45 -2.67 4.33 4.81 -1.26 -3.58 118.16 119.52 3inu n LYS 129 Ca 0.04 -0.68 -0.06 0.00 -0.87 0.00 0.00 58.31 56.74 3inu n LYS 129 Cb 0.23 -1.28 0.04 0.00 0.02 0.00 0.00 35.03 34.04 3inu n LYS 129 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3inu n SER 130 N -0.05 2.24 -3.97 3.14 7.64 -1.07 -5.04 113.62 116.51 3inu n SER 130 Ca 0.12 -2.44 -0.31 0.00 1.01 0.00 0.00 58.87 57.25 3inu n SER 130 Cb 0.20 -0.46 -0.15 0.00 -1.01 0.00 0.00 64.21 62.79 3inu n SER 130 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3inu s THR 131 N -3.93 2.07 -0.27 0.44 2.01 -1.23 -1.27 115.64 113.46 3inu s THR 131 Ca 0.32 -2.23 -0.08 0.00 0.31 0.00 0.00 61.69 60.01 3inu s THR 131 Cb 0.35 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 3inu s THR 131 CO -0.02 -0.62 0.09 -0.55 -0.69 0.00 0.00 174.62 172.83 3inu s SER 132 N 0.98 5.24 1.91 3.53 0.15 0.19 -4.92 113.70 120.78 3inu s SER 132 Ca 0.11 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.37 3inu s SER 132 Cb -0.19 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 3inu s SER 132 CO -0.10 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.84 3inu n GLY 133 N 4.93 2.95 1.23 9.45 0.00 -1.26 -1.40 105.19 121.08 3inu n GLY 133 Ca -0.15 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.15 3inu n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3inu n GLY 134 N 0.00 3.76 3.03 -0.02 0.00 -1.26 -4.91 105.19 105.79 3inu n GLY 134 Ca 0.00 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 3inu n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3inu s THR 137 N -2.84 0.52 0.31 2.61 -4.23 -0.49 -1.73 115.64 109.78 3inu s THR 137 Ca 0.46 -0.78 0.07 0.00 -1.18 0.00 0.00 61.69 60.26 3inu s THR 137 Cb 0.37 -0.53 -0.06 0.00 1.34 0.00 0.00 72.50 73.62 3inu s THR 137 CO 0.11 -0.20 -0.05 0.00 -0.54 0.00 0.00 174.62 173.95 3inu s ALA 138 N -0.92 2.55 -0.08 3.99 0.00 0.68 0.55 121.76 128.53 3inu s ALA 138 Ca -0.05 -2.00 0.03 0.00 0.00 0.00 0.00 51.96 49.94 3inu s ALA 138 Cb -0.07 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.25 3inu s ALA 138 CO 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 175.76 175.53 3inu s ALA 139 N -2.93 1.54 0.22 0.00 0.00 -0.39 0.76 121.76 120.96 3inu s ALA 139 Ca 0.31 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.72 3inu s ALA 139 Cb 0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 3inu s ALA 139 CO 0.14 0.16 0.02 -0.48 0.00 0.00 0.00 175.76 175.60 3inu s LEU 140 N 0.58 2.07 0.00 0.00 2.34 -0.83 -4.27 118.68 118.56 3inu s LEU 140 Ca -0.16 -1.24 -0.23 0.00 0.06 0.00 0.00 54.13 52.56 3inu s LEU 140 Cb -0.16 -0.17 0.08 0.00 -0.56 0.00 0.00 46.19 45.38 3inu s LEU 140 CO 0.05 -0.57 1.04 0.61 -1.06 0.00 0.00 176.35 176.42 3inu n GLY 141 N -0.39 0.31 3.21 -3.48 0.00 -0.95 -0.40 105.19 103.50 3inu n GLY 141 Ca -0.04 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 3inu n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3inu s LEU 143 N 0.51 5.45 -0.42 0.00 2.96 0.72 -1.19 118.68 126.71 3inu s LEU 143 Ca -0.15 -1.32 -0.19 0.00 -0.22 0.00 0.00 54.13 52.25 3inu s LEU 143 Cb -0.17 -2.31 0.02 0.00 0.50 0.00 0.00 46.19 44.23 3inu s LEU 143 CO 0.05 -0.92 0.56 -0.69 -1.32 0.00 0.00 176.35 174.03 3inu s VAL 144 N 2.29 4.93 -0.04 1.68 1.01 0.65 -1.39 120.40 129.54 3inu s VAL 144 Ca 0.10 -0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.13 3inu s VAL 144 Cb -0.24 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 3inu s VAL 144 CO 0.07 -0.49 -0.20 -0.75 0.00 0.00 0.00 175.10 173.73 3inu s LYS 145 N 2.55 1.89 -0.63 2.72 2.20 0.36 -0.94 119.74 127.88 3inu s LYS 145 Ca 0.19 -0.71 -0.03 0.00 -0.36 0.00 0.00 55.97 55.06 3inu s LYS 145 Cb -0.15 -1.69 -0.03 0.00 -1.51 0.00 0.00 37.83 34.45 3inu s LYS 145 CO 0.17 0.35 0.55 -0.25 -0.36 0.00 0.00 175.35 175.80 3inu n ASP 146 N 2.89 -4.05 -4.42 1.43 8.00 0.73 -1.16 116.55 119.97 3inu n ASP 146 Ca -0.17 -0.40 -0.22 0.00 0.71 0.00 0.00 54.79 54.71 3inu n ASP 146 Cb 0.53 -3.24 -0.10 0.00 -0.02 0.00 0.00 41.12 38.28 3inu n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3inu s TYR 147 N -3.22 2.08 -0.27 1.24 1.13 -0.64 -4.40 117.35 113.26 3inu s TYR 147 Ca 0.20 -0.42 -0.24 0.00 -1.41 0.00 0.00 57.07 55.21 3inu s TYR 147 Cb -0.03 -0.94 0.08 0.00 -1.10 0.00 0.00 41.96 39.98 3inu s TYR 147 CO 0.43 0.56 0.77 0.12 -2.51 0.00 0.00 175.55 174.92 3inu s PHE 148 N -2.53 -0.76 0.00 -3.49 5.36 0.09 -0.75 117.98 115.89 3inu s PHE 148 Ca 0.26 1.81 0.00 0.00 -0.96 0.00 0.00 56.93 58.03 3inu s PHE 148 Cb -0.04 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.97 3inu s PHE 148 CO 0.11 -0.37 0.00 -0.35 -1.46 0.00 0.00 175.22 173.15 3inu n PRO 149 N 2.81 1.58 -2.01 10.12 -0.04 -1.26 -0.35 135.00 145.85 3inu n PRO 149 Ca -0.14 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.02 3inu n PRO 149 Cb 0.56 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.05 3inu n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3inu s GLU 150 N 0.59 3.04 0.39 0.54 2.02 -1.26 -4.80 118.70 119.22 3inu s GLU 150 Ca 0.00 0.42 0.05 0.00 0.02 0.00 0.00 54.97 55.46 3inu s GLU 150 Cb 0.00 -2.09 0.05 0.00 0.10 0.00 0.00 34.13 32.19 3inu s GLU 150 CO 0.00 -0.85 0.40 -0.35 0.02 0.00 0.00 175.26 174.48 3inu n PRO 151 N -2.85 0.84 -4.45 0.39 -0.04 -1.26 -4.94 135.00 122.69 3inu n PRO 151 Ca 0.06 -2.32 -0.20 0.00 -0.04 0.00 0.00 63.50 61.01 3inu n PRO 151 Cb 0.57 0.08 -0.15 0.00 -0.04 0.00 0.00 33.50 33.96 3inu n PRO 151 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3inu s VAL 152 N -1.75 0.86 0.02 0.52 1.01 -1.26 -4.48 120.40 115.32 3inu s VAL 152 Ca 0.31 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.82 3inu s VAL 152 Cb -0.02 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 3inu s VAL 152 CO 0.19 0.21 -0.08 0.42 0.00 0.00 0.00 175.10 175.84 3inu s THR 153 N -0.32 3.52 0.04 3.92 -4.23 -0.17 -4.97 115.64 113.43 3inu s THR 153 Ca 0.04 -0.87 0.05 0.00 -1.18 0.00 0.00 61.69 59.73 3inu s THR 153 Cb -0.05 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 3inu s THR 153 CO -0.00 0.36 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.60 3inu s VAL 154 N -1.01 1.19 0.07 2.29 1.01 -1.26 -1.11 120.40 121.58 3inu s VAL 154 Ca 0.17 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 3inu s VAL 154 Cb -0.11 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.21 3inu s VAL 154 CO 0.08 0.05 0.23 -0.94 0.00 0.00 0.00 175.10 174.52 3inu s SER 156 N -1.09 0.02 -0.05 3.32 1.04 -0.74 -4.97 113.70 111.22 3inu s SER 156 Ca 0.03 -0.48 0.04 0.00 0.48 0.00 0.00 55.95 56.02 3inu s SER 156 Cb -0.08 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 3inu s SER 156 CO 0.01 -0.69 -0.17 0.26 0.98 0.00 0.00 173.24 173.63 3inu s TRP 157 N -3.37 2.62 -1.44 5.02 0.52 -1.26 0.64 118.94 121.67 3inu s TRP 157 Ca 0.01 -0.32 -0.06 0.00 0.02 0.00 0.00 56.10 55.74 3inu s TRP 157 Cb 0.02 -1.63 0.01 0.00 -1.15 0.00 0.00 33.47 30.72 3inu s TRP 157 CO -0.08 0.06 0.25 0.09 0.02 0.00 0.00 176.95 177.28 3inu n ASN 162 N 2.54 -0.43 -4.03 2.95 3.02 -0.17 -2.10 115.26 117.03 3inu n ASN 162 Ca -0.17 -1.20 -0.32 0.00 -0.03 0.00 0.00 54.58 52.86 3inu n ASN 162 Cb 0.52 -2.07 0.00 0.00 -0.61 0.00 0.00 39.78 37.62 3inu n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3inu n SER 163 N -2.79 -3.82 0.00 6.41 7.64 -1.26 -0.81 113.62 118.98 3inu n SER 163 Ca -0.28 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 58.71 3inu n SER 163 Cb 0.67 -3.41 0.00 0.00 -1.01 0.00 0.00 64.21 60.46 3inu n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3inu n GLY 164 N -1.59 2.38 0.00 0.23 0.00 -0.89 -4.96 105.19 100.35 3inu n GLY 164 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3inu n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3inu n ALA 165 N 0.00 -0.10 -2.04 4.61 0.00 0.01 -4.52 120.51 118.48 3inu n ALA 165 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3inu n ALA 165 Cb 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.65 3inu n ALA 165 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3inu s LEU 166 N -3.37 3.84 0.00 0.00 2.96 -1.11 -4.79 118.68 116.21 3inu s LEU 166 Ca 0.00 1.65 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 3inu s LEU 166 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.16 3inu s LEU 166 CO 0.00 -1.36 0.00 0.35 -1.32 0.00 0.00 176.35 174.02 3inu n THR 167 N 6.60 0.00 -1.65 3.68 -2.24 -1.26 -4.17 114.28 115.23 3inu n THR 167 Ca 0.20 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.51 3inu n THR 167 Cb 0.45 -0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 67.75 3inu n THR 167 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3inu n SER 168 N -2.61 2.74 -0.02 3.42 7.64 -1.26 -2.08 113.62 121.45 3inu n SER 168 Ca 0.00 1.10 -0.00 0.00 1.01 0.00 0.00 58.87 60.97 3inu n SER 168 Cb 0.33 -1.37 -0.00 0.00 -1.01 0.00 0.00 64.21 62.15 3inu n SER 168 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3inu n GLY 169 N 3.12 0.47 3.73 0.23 0.00 -1.26 -4.80 105.19 106.68 3inu n GLY 169 Ca 0.17 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3inu n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3inu s VAL 171 N -1.98 5.19 -0.24 1.61 1.01 -0.88 -2.31 120.40 122.80 3inu s VAL 171 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3inu s VAL 171 Cb 0.00 -3.79 0.06 0.00 0.00 0.00 0.00 36.38 32.66 3inu s VAL 171 CO 0.00 0.35 -0.02 -1.00 0.00 0.00 0.00 175.10 174.43 3inu s HIS 172 N 0.49 2.21 -0.33 5.22 3.76 -0.19 -5.02 115.29 121.43 3inu s HIS 172 Ca 0.25 -1.68 -0.13 0.00 -0.15 0.00 0.00 55.06 53.34 3inu s HIS 172 Cb -0.15 -1.57 -0.02 0.00 1.11 0.00 0.00 32.58 31.95 3inu s HIS 172 CO 0.10 -0.77 0.28 0.99 -0.85 0.00 0.00 174.74 174.49 3inu s THR 173 N 1.46 5.25 0.51 1.30 2.01 -1.26 -0.98 115.64 123.93 3inu s THR 173 Ca -0.03 -0.02 -0.18 0.00 0.31 0.00 0.00 61.69 61.76 3inu s THR 173 Cb -0.18 -3.71 -0.07 0.00 0.01 0.00 0.00 72.50 68.54 3inu s THR 173 CO -0.08 0.02 1.02 -0.36 -0.69 0.00 0.00 174.62 174.53 3inu s PHE 174 N 1.84 3.13 0.48 4.92 0.08 0.08 -4.98 117.98 123.53 3inu s PHE 174 Ca 0.08 1.54 -0.23 0.00 0.12 0.00 0.00 56.93 58.45 3inu s PHE 174 Cb -0.17 -2.96 -0.08 0.00 -0.57 0.00 0.00 43.02 39.24 3inu s PHE 174 CO 0.11 -0.71 1.14 -2.30 -0.10 0.00 0.00 175.22 173.36 3inu n PRO 175 N -1.35 1.49 -1.98 0.24 -0.02 -1.26 -4.59 135.00 127.52 3inu n PRO 175 Ca 0.08 0.54 -0.36 0.00 -2.02 0.00 0.00 63.50 61.74 3inu n PRO 175 Cb 0.53 -2.27 0.04 0.00 -0.02 0.00 0.00 33.50 31.78 3inu n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3inu s ALA 176 N -1.31 2.55 -0.03 3.55 0.00 -1.26 -4.76 121.76 120.50 3inu s ALA 176 Ca 0.67 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.75 3inu s ALA 176 Cb -0.48 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.15 3inu s ALA 176 CO 0.54 -1.21 -0.25 0.14 0.00 0.00 0.00 175.76 174.97 3inu s VAL 177 N -1.55 2.09 -0.18 0.00 -7.23 0.13 -4.95 120.40 108.72 3inu s VAL 177 Ca 0.78 -1.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.57 3inu s VAL 177 Cb -0.32 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 3inu s VAL 177 CO 0.34 0.58 1.31 -0.22 -0.31 0.00 0.00 175.10 176.80 3inu s LEU 178 N -0.55 4.14 0.77 1.32 2.96 -1.26 -1.80 118.68 124.26 3inu s LEU 178 Ca 0.08 1.67 -0.11 0.00 -0.22 0.00 0.00 54.13 55.55 3inu s LEU 178 Cb -0.11 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.11 3inu s LEU 178 CO -0.00 -0.83 1.13 -1.10 -1.32 0.00 0.00 176.35 174.22 3inu s GLN 179 N 3.66 2.19 0.56 1.98 -0.21 -0.00 -4.96 119.66 122.88 3inu s GLN 179 Ca 0.57 0.10 0.25 0.00 0.02 0.00 0.00 55.36 56.29 3inu s GLN 179 Cb -0.22 -2.01 1.58 0.00 1.00 0.00 0.00 33.01 33.36 3inu s GLN 179 CO 0.17 -1.41 2.16 0.77 -2.12 0.00 0.00 175.29 174.87 3inu h SER 180 N -0.88 0.00 0.29 5.90 0.02 -1.95 -1.75 113.55 115.18 3inu h SER 180 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3inu h SER 180 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 3inu h SER 180 CO 0.64 0.00 -0.04 -1.54 -1.14 0.00 0.00 176.83 174.76 3inu n SER 182 N -4.09 0.27 0.00 3.07 3.41 -1.26 -4.88 113.62 110.13 3inu n SER 182 Ca -0.01 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 3inu n SER 182 Cb 0.19 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3inu n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3inu n GLY 183 N 1.19 0.84 3.96 5.00 0.00 -0.66 -5.03 105.19 110.49 3inu n GLY 183 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 3inu n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3inu s LEU 184 N 0.00 4.19 0.26 0.99 1.43 -1.26 -4.87 118.68 119.42 3inu s LEU 184 Ca 0.00 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 3inu s LEU 184 Cb 0.00 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 3inu s LEU 184 CO 0.00 -0.16 0.46 -0.31 0.23 0.00 0.00 176.35 176.57 3inu s TYR 185 N -2.04 3.48 -0.01 0.29 1.51 0.07 -0.82 117.35 119.82 3inu s TYR 185 Ca 0.37 0.37 -0.06 0.00 -1.01 0.00 0.00 57.07 56.73 3inu s TYR 185 Cb -0.09 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 39.88 3inu s TYR 185 CO 0.29 0.28 0.13 -1.12 -1.11 0.00 0.00 175.55 174.01 3inu s SER 186 N -3.47 -0.01 -0.22 2.29 0.01 -0.74 -0.20 113.70 111.36 3inu s SER 186 Ca 0.39 -0.08 -0.13 0.00 1.31 0.00 0.00 55.95 57.44 3inu s SER 186 Cb -0.10 0.23 0.07 0.00 0.21 0.00 0.00 66.02 66.42 3inu s SER 186 CO 0.31 -0.27 0.53 -0.22 0.41 0.00 0.00 173.24 174.01 3inu s LEU 187 N -0.95 -0.40 0.10 2.44 0.20 -0.12 0.21 118.68 120.16 3inu s LEU 187 Ca -0.10 1.15 0.08 0.00 0.69 0.00 0.00 54.13 55.95 3inu s LEU 187 Cb -0.06 1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 47.48 3inu s LEU 187 CO 0.01 -0.21 -0.14 -0.94 -0.29 0.00 0.00 176.35 174.78 3inu s SER 188 N 1.29 4.16 -0.07 3.68 1.04 -1.26 -0.25 113.70 122.29 3inu s SER 188 Ca -0.08 -0.44 0.05 0.00 0.48 0.00 0.00 55.95 55.95 3inu s SER 188 Cb -0.06 -0.72 -0.00 0.00 0.10 0.00 0.00 66.02 65.34 3inu s SER 188 CO -0.13 0.19 -0.22 -0.55 0.98 0.00 0.00 173.24 173.51 3inu s SER 189 N -2.09 2.77 0.18 7.02 0.15 -0.33 -0.74 113.70 120.67 3inu s SER 189 Ca 0.19 -0.48 0.07 0.00 0.70 0.00 0.00 55.95 56.44 3inu s SER 189 Cb -0.11 -1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 3inu s SER 189 CO 0.11 0.17 -0.14 0.68 1.20 0.00 0.00 173.24 175.26 3inu s VAL 190 N 0.15 1.64 -0.08 4.45 -7.23 -0.15 -0.05 120.40 119.12 3inu s VAL 190 Ca -0.11 -2.10 -0.06 0.00 -1.81 0.00 0.00 61.98 57.90 3inu s VAL 190 Cb -0.15 -1.94 0.03 0.00 0.56 0.00 0.00 36.38 34.88 3inu s VAL 190 CO 0.05 -0.56 0.21 0.54 -0.31 0.00 0.00 175.10 175.04 3inu s VAL 191 N -2.80 -0.01 0.05 1.32 0.11 0.47 -1.03 120.40 118.52 3inu s VAL 191 Ca 0.19 0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 59.09 3inu s VAL 191 Cb -0.02 -0.31 -0.06 0.00 -1.53 0.00 0.00 36.38 34.47 3inu s VAL 191 CO 0.06 0.02 0.62 0.42 -3.33 0.00 0.00 175.10 172.89 3inu s THR 192 N 0.49 4.76 0.03 5.04 -4.23 -0.98 -1.96 115.64 118.79 3inu s THR 192 Ca -0.03 1.33 -0.01 0.00 -1.18 0.00 0.00 61.69 61.80 3inu s THR 192 Cb -0.05 -3.96 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 3inu s THR 192 CO -0.02 0.48 -0.01 0.68 -0.54 0.00 0.00 174.62 175.20 3inu s VAL 193 N -0.65 0.16 -0.21 2.29 -7.23 0.23 -4.81 120.40 110.18 3inu s VAL 193 Ca 0.32 -1.31 -0.39 0.00 -1.81 0.00 0.00 61.98 58.79 3inu s VAL 193 Cb -0.20 -0.87 -0.15 0.00 0.56 0.00 0.00 36.38 35.72 3inu s VAL 193 CO 0.20 -0.72 1.74 -2.65 -0.31 0.00 0.00 175.10 173.35 3inu n PRO 194 N 0.87 1.36 -0.33 4.82 -0.02 -1.26 0.25 135.00 140.69 3inu n PRO 194 Ca -0.19 0.50 0.27 0.00 -2.02 0.00 0.00 63.50 62.06 3inu n PRO 194 Cb 0.58 -2.21 0.52 0.00 -0.02 0.00 0.00 33.50 32.37 3inu n PRO 194 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3inu h SER 195 N 7.38 0.40 -0.41 2.55 0.02 -1.61 0.14 113.55 122.02 3inu h SER 195 Ca -0.47 0.22 0.08 0.00 -0.84 0.00 0.00 61.79 60.79 3inu h SER 195 Cb 1.31 0.21 -0.09 0.00 0.14 0.00 0.00 62.40 63.96 3inu h SER 195 CO 0.95 -0.28 -0.32 0.77 -1.14 0.00 0.00 176.83 176.81 3inu h SER 196 N 0.17 -1.06 1.16 3.07 4.64 -1.88 -2.86 113.55 116.79 3inu h SER 196 Ca 0.78 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 62.30 3inu h SER 196 Cb 1.93 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 64.52 3inu h SER 196 CO -0.69 -0.31 0.00 -1.54 -0.87 0.00 0.00 176.83 173.42 3inu n SER 197 N -5.42 0.74 -0.60 4.97 3.41 0.03 -4.22 113.62 112.53 3inu n SER 197 Ca 0.01 0.61 0.47 0.00 -0.26 0.00 0.00 58.87 59.71 3inu n SER 197 Cb 0.34 -0.79 0.75 0.00 -0.26 0.00 0.00 64.21 64.24 3inu n SER 197 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3inu n LEU 198 N -2.24 0.10 -0.01 1.04 4.77 -1.08 0.70 117.00 120.28 3inu n LEU 198 Ca 0.04 1.17 0.01 0.00 -0.03 0.00 0.00 56.01 57.20 3inu n LEU 198 Cb 0.35 -0.58 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 3inu n LEU 198 CO 0.26 -1.22 0.50 0.61 -1.33 0.00 0.00 177.39 176.21 3inu n GLY 199 N -1.73 2.99 0.00 -0.72 0.00 -1.26 -4.63 105.19 99.84 3inu n GLY 199 Ca 0.42 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.36 3inu n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3inu n THR 200 N -0.57 0.03 -4.42 2.61 -2.24 0.22 -5.02 114.28 104.90 3inu n THR 200 Ca 0.01 -0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.48 3inu n THR 200 Cb 0.29 0.23 -0.13 0.00 -2.10 0.00 0.00 70.33 68.62 3inu n THR 200 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3inu s GLN 203 N -2.24 1.08 0.03 -0.78 0.74 -0.29 -5.08 119.66 113.13 3inu s GLN 203 Ca -0.01 -0.87 -0.30 0.00 0.05 0.00 0.00 55.36 54.22 3inu s GLN 203 Cb 0.02 -1.15 -0.05 0.00 1.10 0.00 0.00 33.01 32.94 3inu s GLN 203 CO 0.15 0.28 1.11 0.95 -0.55 0.00 0.00 175.29 177.24 3inu s THR 205 N -0.90 4.38 -0.21 -0.34 -4.23 -1.26 -4.84 115.64 108.25 3inu s THR 205 Ca 0.04 1.71 0.02 0.00 -1.18 0.00 0.00 61.69 62.27 3inu s THR 205 Cb -0.08 -4.10 0.04 0.00 1.34 0.00 0.00 72.50 69.70 3inu s THR 205 CO 0.02 0.13 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.77 3inu s TYR 206 N 1.05 2.80 -0.04 3.99 1.51 -1.26 -4.95 117.35 120.46 3inu s TYR 206 Ca 0.56 -1.81 0.00 0.00 -1.01 0.00 0.00 57.07 54.81 3inu s TYR 206 Cb -0.26 -1.83 0.03 0.00 -0.11 0.00 0.00 41.96 39.79 3inu s TYR 206 CO 0.29 -0.81 -0.01 0.42 -1.11 0.00 0.00 175.55 174.33 3inu s ILE 207 N 1.27 0.28 -0.14 2.71 1.01 -1.26 -1.07 121.20 124.00 3inu s ILE 207 Ca -0.01 0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.56 3inu s ILE 207 Cb -0.16 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 3inu s ILE 207 CO -0.09 0.19 0.34 0.00 0.00 0.00 0.00 174.94 175.37 3inu s ASN 209 N 0.31 6.25 -0.16 0.00 -0.87 0.21 -3.10 114.94 117.57 3inu s ASN 209 Ca 0.19 -0.79 -0.08 0.00 -1.57 0.00 0.00 52.86 50.61 3inu s ASN 209 Cb -0.14 -2.36 -0.04 0.00 -0.02 0.00 0.00 41.25 38.69 3inu s ASN 209 CO 0.06 -1.10 0.12 -0.69 -2.57 0.00 0.00 177.10 172.92 3inu s VAL 210 N 3.27 5.34 -0.12 1.60 1.01 -0.17 -1.80 120.40 129.52 3inu s VAL 210 Ca 0.21 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.33 3inu s VAL 210 Cb -0.17 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 32.86 3inu s VAL 210 CO 0.13 0.52 -0.02 0.21 0.00 0.00 0.00 175.10 175.94 3inu s ASN 211 N -0.21 2.23 -0.44 3.32 2.47 -0.27 -0.61 114.94 121.44 3inu s ASN 211 Ca 0.10 -0.39 0.04 0.00 0.42 0.00 0.00 52.86 53.03 3inu s ASN 211 Cb -0.12 -0.65 0.12 0.00 -1.45 0.00 0.00 41.25 39.15 3inu s ASN 211 CO 0.01 -0.20 0.17 -2.28 -3.72 0.00 0.00 177.10 171.07 3inu s HIS 212 N 1.83 3.37 0.17 0.43 5.65 -0.03 -1.00 115.29 125.70 3inu s HIS 212 Ca 0.03 -3.05 -0.14 0.00 0.25 0.00 0.00 55.06 52.15 3inu s HIS 212 Cb -0.14 -2.82 0.06 0.00 -1.18 0.00 0.00 32.58 28.50 3inu s HIS 212 CO -0.07 -0.84 1.78 0.87 -0.65 0.00 0.00 174.74 175.84 3inu h LYS 213 N 7.02 0.73 -0.56 2.88 1.57 -1.80 -0.65 116.57 125.76 3inu h LYS 213 Ca -0.06 -0.08 0.16 0.00 -1.87 0.00 0.00 60.65 58.80 3inu h LYS 213 Cb 0.95 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3inu h LYS 213 CO 0.61 0.56 0.46 -1.35 -0.57 0.00 0.00 179.45 179.16 3inu h PRO 214 N 0.71 0.00 -0.39 3.15 0.11 -1.93 0.69 132.00 134.34 3inu h PRO 214 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3inu h PRO 214 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3inu h PRO 214 CO -0.03 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.63 3inu n SER 215 N -4.08 3.60 -4.05 -2.05 3.41 -1.07 -4.96 113.62 104.42 3inu n SER 215 Ca 0.11 -2.39 -0.29 0.00 -0.26 0.00 0.00 58.87 56.04 3inu n SER 215 Cb 0.69 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 3inu n SER 215 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3inu n ASN 216 N 0.36 -1.15 -4.53 4.04 5.15 0.24 -4.88 115.26 114.49 3inu n ASN 216 Ca 0.18 -1.02 -0.34 0.00 -0.60 0.00 0.00 54.58 52.79 3inu n ASN 216 Cb 0.66 -2.90 -0.11 0.00 -0.53 0.00 0.00 39.78 36.89 3inu n ASN 216 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3inu s THR 217 N -3.79 4.26 -0.13 -0.44 2.01 -0.29 -5.00 115.64 112.27 3inu s THR 217 Ca 0.22 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 3inu s THR 217 Cb -0.12 -2.91 0.03 0.00 0.01 0.00 0.00 72.50 69.51 3inu s THR 217 CO 0.90 0.45 -0.06 -0.54 -0.69 0.00 0.00 174.62 174.69 3inu s LYS 218 N 0.61 1.43 0.09 4.92 1.02 -1.26 -0.85 119.74 125.69 3inu s LYS 218 Ca 0.00 -0.30 0.08 0.00 0.02 0.00 0.00 55.97 55.77 3inu s LYS 218 Cb -0.14 -1.67 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 3inu s LYS 218 CO 0.02 -0.32 -0.21 0.08 -0.92 0.00 0.00 175.35 174.00 3inu s VAL 219 N 1.71 1.68 -0.45 3.17 1.01 0.22 -5.00 120.40 122.74 3inu s VAL 219 Ca 0.04 -1.48 0.07 0.00 0.00 0.00 0.00 61.98 60.61 3inu s VAL 219 Cb -0.13 -1.52 0.25 0.00 0.00 0.00 0.00 36.38 34.97 3inu s VAL 219 CO -0.08 -0.03 0.56 0.47 0.00 0.00 0.00 175.10 176.03 3inu n ASP 220 N 1.21 0.98 -4.73 3.32 9.92 -1.26 -1.00 116.55 124.99 3inu n ASP 220 Ca -0.19 -2.85 -0.42 0.00 -0.53 0.00 0.00 54.79 50.80 3inu n ASP 220 Cb 0.54 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 40.34 3inu n ASP 220 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3inu s LYS 221 N -1.42 4.33 -0.59 -1.24 2.47 -1.18 -4.82 119.74 117.30 3inu s LYS 221 Ca 0.36 2.14 -0.22 0.00 -1.56 0.00 0.00 55.97 56.69 3inu s LYS 221 Cb 0.16 -3.19 0.06 0.00 -1.46 0.00 0.00 37.83 33.40 3inu s LYS 221 CO -0.09 -0.37 0.89 -1.59 0.16 0.00 0.00 175.35 174.35 3inu s LYS 222 N 0.25 3.19 -0.28 4.03 0.00 -1.26 -2.57 119.74 123.10 3inu s LYS 222 Ca 0.60 -0.65 -0.28 0.00 0.00 0.00 0.00 55.97 55.64 3inu s LYS 222 Cb -0.38 -4.14 0.01 0.00 0.00 0.00 0.00 37.83 33.31 3inu s LYS 222 CO 0.37 -1.59 1.03 0.08 0.00 0.00 0.00 175.35 175.24 3inu s VAL 225 N 3.73 4.61 0.02 1.79 1.01 -0.24 -4.95 120.40 126.38 3inu s VAL 225 Ca 0.24 1.81 -0.00 0.00 0.00 0.00 0.00 61.98 64.03 3inu s VAL 225 Cb -0.16 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 3inu s VAL 225 CO 0.14 -0.32 -0.03 -1.83 0.00 0.00 0.00 175.10 173.06 3inu s GLU 226 N 3.38 0.29 0.00 2.72 -1.05 -1.26 -4.11 118.70 118.67 3inu s GLU 226 Ca 0.43 -0.57 0.00 0.00 -0.15 0.00 0.00 54.97 54.69 3inu s GLU 226 Cb -0.14 0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.66 3inu s GLU 226 CO 0.11 -0.05 0.15 -2.30 0.95 0.00 0.00 175.26 174.12