#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3it7 s PRO 2 N 0.00 2.78 0.36 0.00 0.02 -1.26 -5.00 135.00 131.89 3it7 s PRO 2 Ca 0.00 0.69 -0.27 0.00 0.02 0.00 0.00 61.00 61.44 3it7 s PRO 2 Cb 0.00 -1.99 -0.12 0.00 0.02 0.00 0.00 34.50 32.41 3it7 s PRO 2 CO 0.00 -1.14 1.09 -2.30 -0.33 0.00 0.00 177.00 174.32 3it7 n PRO 3 N -3.12 1.58 0.07 5.54 -0.02 -1.26 -4.75 135.00 133.04 3it7 n PRO 3 Ca 0.07 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 62.21 3it7 n PRO 3 Cb 0.55 -2.06 0.42 0.00 -0.02 0.00 0.00 33.50 32.39 3it7 n PRO 3 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3it7 n SER 4 N 0.81 0.37 -0.99 2.55 3.41 -1.26 -2.57 113.62 115.94 3it7 n SER 4 Ca 0.08 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.35 3it7 n SER 4 Cb 0.36 -0.66 0.24 0.00 -0.26 0.00 0.00 64.21 63.88 3it7 n SER 4 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3it7 n ASN 5 N -1.90 3.57 0.03 4.04 6.94 -1.26 -4.50 115.26 122.19 3it7 n ASN 5 Ca 0.03 -2.18 -0.21 0.00 -0.02 0.00 0.00 54.58 52.20 3it7 n ASN 5 Cb 0.22 -0.38 -0.14 0.00 -2.36 0.00 0.00 39.78 37.12 3it7 n ASN 5 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3it7 h LEU 6 N 2.88 0.44 -8.82 -4.53 5.85 -1.83 -3.45 115.31 105.86 3it7 h LEU 6 Ca 0.00 -0.89 -0.68 0.00 0.84 0.00 0.00 57.88 57.15 3it7 h LEU 6 Cb 0.98 -0.14 -0.23 0.00 0.37 0.00 0.00 40.66 41.64 3it7 h LEU 6 CO 0.06 1.54 -0.87 -0.04 -0.34 0.00 0.00 178.44 178.79 3it7 s MET 7 N -2.46 1.49 0.47 1.25 -1.94 -1.26 -4.59 119.30 112.26 3it7 s MET 7 Ca -0.17 -1.24 0.05 0.00 -1.71 0.00 0.00 55.69 52.62 3it7 s MET 7 Cb 0.03 -1.86 -0.03 0.00 2.01 0.00 0.00 34.83 34.98 3it7 s MET 7 CO 0.80 0.45 0.14 1.14 -0.01 0.00 0.00 175.02 177.54 3it7 s GLN 8 N -1.76 2.18 0.53 2.03 -2.07 0.98 -0.99 119.66 120.55 3it7 s GLN 8 Ca 0.12 -2.09 -0.21 0.00 -1.82 0.00 0.00 55.36 51.37 3it7 s GLN 8 Cb -0.10 -1.81 -0.06 0.00 -1.09 0.00 0.00 33.01 29.95 3it7 s GLN 8 CO 0.04 -0.27 1.18 -0.51 -1.32 0.00 0.00 175.29 174.42 3it7 s LEU 9 N -3.93 3.83 -0.01 2.60 1.43 -1.26 -4.59 118.68 116.75 3it7 s LEU 9 Ca 0.28 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 3it7 s LEU 9 Cb 0.03 -4.44 0.01 0.00 0.03 0.00 0.00 46.19 41.82 3it7 s LEU 9 CO 0.16 -1.24 1.00 -0.81 0.23 0.00 0.00 176.35 175.68 3it7 n PRO 10 N -1.06 1.02 -4.38 1.29 -0.04 -1.26 -4.73 135.00 125.83 3it7 n PRO 10 Ca 0.10 -0.04 -0.19 0.00 -0.04 0.00 0.00 63.50 63.33 3it7 n PRO 10 Cb 0.49 -1.03 -0.10 0.00 -0.04 0.00 0.00 33.50 32.81 3it7 n PRO 10 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3it7 s TRP 11 N -0.08 1.72 0.36 0.54 -2.14 -1.26 -1.48 118.94 116.59 3it7 s TRP 11 Ca 0.01 -1.12 -0.29 0.00 2.66 0.00 0.00 56.10 57.36 3it7 s TRP 11 Cb 0.01 -1.06 -0.11 0.00 -3.10 0.00 0.00 33.47 29.21 3it7 s TRP 11 CO 0.00 -0.22 1.51 1.03 -2.66 0.00 0.00 176.95 176.61 3it7 s ARG 12 N -3.94 4.12 0.31 3.25 0.52 -1.26 -4.79 118.95 117.15 3it7 s ARG 12 Ca 0.36 2.57 -0.29 0.00 -0.52 0.00 0.00 55.73 57.84 3it7 s ARG 12 Cb 0.07 -2.98 -0.12 0.00 0.52 0.00 0.00 34.95 32.44 3it7 s ARG 12 CO 0.15 -0.55 1.38 1.04 0.02 0.00 0.00 175.30 177.34 3it7 n GLN 13 N 0.87 2.22 -0.24 3.54 6.02 -1.26 -2.21 117.38 126.31 3it7 n GLN 13 Ca 0.03 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 3it7 n GLN 13 Cb 0.39 -2.43 0.00 0.00 1.02 0.00 0.00 30.24 29.22 3it7 n GLN 13 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3it7 n GLY 14 N 1.35 0.67 3.42 1.08 0.00 0.40 -5.03 105.19 107.09 3it7 n GLY 14 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 3it7 n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3it7 s TYR 15 N -2.53 2.05 -0.12 1.61 2.02 -0.94 -4.92 117.35 114.52 3it7 s TYR 15 Ca 0.00 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 3it7 s TYR 15 Cb 0.00 -0.93 0.02 0.00 -0.40 0.00 0.00 41.96 40.65 3it7 s TYR 15 CO 0.00 0.55 -0.15 -1.12 -1.57 0.00 0.00 175.55 173.26 3it7 s SER 16 N -3.43 2.54 0.34 2.29 0.01 -1.26 -1.45 113.70 112.74 3it7 s SER 16 Ca 0.27 -0.45 0.08 0.00 1.31 0.00 0.00 55.95 57.16 3it7 s SER 16 Cb -0.03 -1.12 -0.05 0.00 0.21 0.00 0.00 66.02 65.03 3it7 s SER 16 CO 0.12 -0.01 0.10 0.26 0.41 0.00 0.00 173.24 174.12 3it7 s TRP 17 N 1.17 2.67 -0.33 2.43 0.52 -1.20 -4.67 118.94 119.53 3it7 s TRP 17 Ca -0.02 -0.39 -0.12 0.00 0.02 0.00 0.00 56.10 55.58 3it7 s TRP 17 Cb -0.14 -1.59 -0.02 0.00 -1.15 0.00 0.00 33.47 30.57 3it7 s TRP 17 CO -0.05 0.38 0.21 -0.65 0.02 0.00 0.00 176.95 176.87 3it7 s GLN 18 N -3.81 3.51 0.19 4.98 -0.21 0.33 -0.47 119.66 124.19 3it7 s GLN 18 Ca 0.37 -0.62 -0.15 0.00 0.02 0.00 0.00 55.36 54.98 3it7 s GLN 18 Cb -0.02 -3.73 -0.07 0.00 1.00 0.00 0.00 33.01 30.19 3it7 s GLN 18 CO 0.22 -0.40 0.60 -1.25 -2.12 0.00 0.00 175.29 172.34 3it7 s PRO 19 N 1.70 4.01 0.46 2.91 0.04 -1.26 -2.39 135.00 140.47 3it7 s PRO 19 Ca 0.06 0.56 0.07 0.00 0.04 0.00 0.00 61.00 61.72 3it7 s PRO 19 Cb -0.17 -2.83 0.08 0.00 0.04 0.00 0.00 34.50 31.61 3it7 s PRO 19 CO 0.10 0.41 0.63 0.27 0.04 0.00 0.00 177.00 178.44 3it7 n ASN 20 N 0.54 1.57 -4.76 6.66 6.94 -0.43 -0.18 115.26 125.60 3it7 n ASN 20 Ca -0.03 -2.16 -0.39 0.00 -0.02 0.00 0.00 54.58 51.98 3it7 n ASN 20 Cb 0.52 -0.34 0.02 0.00 -2.36 0.00 0.00 39.78 37.61 3it7 n ASN 20 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3it7 s GLY 21 N -4.07 2.89 0.57 4.83 0.00 -1.26 -4.50 107.32 105.78 3it7 s GLY 21 Ca 0.47 1.27 -0.21 0.00 0.00 0.00 0.00 44.72 46.26 3it7 s GLY 21 CO 0.30 1.82 1.33 0.00 0.00 0.00 0.00 173.10 176.56 3it7 s ALA 22 N -1.31 2.70 0.24 3.20 0.00 -1.26 -4.23 121.76 121.10 3it7 s ALA 22 Ca 0.64 1.29 -0.19 0.00 0.00 0.00 0.00 51.96 53.69 3it7 s ALA 22 Cb -0.39 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.20 3it7 s ALA 22 CO 0.48 -1.42 0.62 -3.38 0.00 0.00 0.00 175.76 172.06 3it7 s HIS 23 N -1.34 -0.15 0.95 0.00 -3.43 -0.08 -0.86 115.29 110.37 3it7 s HIS 23 Ca 0.75 -0.23 -0.14 0.00 -0.80 0.00 0.00 55.06 54.64 3it7 s HIS 23 Cb -0.39 0.54 0.16 0.00 -1.43 0.00 0.00 32.58 31.46 3it7 s HIS 23 CO 0.45 -1.07 1.17 -1.54 -2.00 0.00 0.00 174.74 171.75 3it7 s SER 24 N -2.89 3.20 0.31 7.38 1.04 -1.25 -0.60 113.70 120.89 3it7 s SER 24 Ca 0.10 0.77 0.02 0.00 0.48 0.00 0.00 55.95 57.33 3it7 s SER 24 Cb -0.03 -1.19 0.58 0.00 0.10 0.00 0.00 66.02 65.48 3it7 s SER 24 CO 0.02 -2.72 1.90 -1.13 0.98 0.00 0.00 173.24 172.28 3it7 h ASN 25 N -1.62 0.86 1.35 7.02 -1.24 -1.94 -2.02 115.58 117.99 3it7 h ASN 25 Ca -0.48 0.02 -0.04 0.00 0.71 0.00 0.00 56.30 56.51 3it7 h ASN 25 Cb 1.31 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 40.19 3it7 h ASN 25 CO 0.54 0.53 -0.66 0.71 -1.29 0.00 0.00 177.43 177.26 3it7 h THR 26 N 0.96 0.17 0.00 -3.57 1.35 -1.96 -3.48 112.91 106.39 3it7 h THR 26 Ca 0.40 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 3it7 h THR 26 Cb 0.31 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3it7 h THR 26 CO -0.17 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.81 3it7 n GLY 27 N 1.19 0.80 0.23 5.82 0.00 -0.76 -4.85 105.19 107.61 3it7 n GLY 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3it7 n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3it7 n SER 28 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.81 113.62 112.57 3it7 n SER 28 Ca 0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 3it7 n SER 28 Cb 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 3it7 n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3it7 n GLY 29 N 0.00 5.10 3.40 5.00 0.00 -1.26 -5.08 105.19 112.36 3it7 n GLY 29 Ca 0.00 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 3it7 n GLY 29 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3it7 s TYR 30 N 2.50 -0.46 0.86 1.61 5.04 -1.26 -4.55 117.35 121.10 3it7 s TYR 30 Ca 0.00 0.79 -0.13 0.00 -2.44 0.00 0.00 57.07 55.29 3it7 s TYR 30 Cb 0.00 0.28 0.12 0.00 0.35 0.00 0.00 41.96 42.71 3it7 s TYR 30 CO 0.00 -0.51 1.23 -1.25 -1.34 0.00 0.00 175.55 173.68 3it7 s PRO 31 N -1.19 1.49 -1.11 4.97 0.04 -1.26 -4.98 135.00 132.95 3it7 s PRO 31 Ca -0.12 -0.07 -0.17 0.00 0.04 0.00 0.00 61.00 60.69 3it7 s PRO 31 Cb -0.02 -1.91 0.13 0.00 0.04 0.00 0.00 34.50 32.73 3it7 s PRO 31 CO 0.07 -1.89 1.39 0.71 0.04 0.00 0.00 177.00 177.32 3it7 s TYR 32 N -3.68 3.16 -1.35 0.56 2.02 -1.26 -3.82 117.35 112.97 3it7 s TYR 32 Ca 0.66 -1.68 0.25 0.00 -0.37 0.00 0.00 57.07 55.93 3it7 s TYR 32 Cb -0.09 -4.42 0.45 0.00 -0.40 0.00 0.00 41.96 37.51 3it7 s TYR 32 CO 0.50 -1.55 1.37 -1.13 -1.57 0.00 0.00 175.55 173.18 3it7 n SER 33 N 6.73 0.88 -4.19 2.29 3.41 -0.90 -1.50 113.62 120.34 3it7 n SER 33 Ca 0.34 -0.68 -0.19 0.00 -0.26 0.00 0.00 58.87 58.08 3it7 n SER 33 Cb 0.46 0.33 -0.12 0.00 -0.26 0.00 0.00 64.21 64.62 3it7 n SER 33 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3it7 s SER 34 N -2.78 1.77 0.07 4.04 0.01 0.23 -0.92 113.70 116.11 3it7 s SER 34 Ca 0.16 -0.64 0.02 0.00 1.31 0.00 0.00 55.95 56.80 3it7 s SER 34 Cb 0.18 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 3it7 s SER 34 CO 0.65 -0.07 -0.07 0.72 0.41 0.00 0.00 173.24 174.88 3it7 s PHE 35 N -1.34 0.74 0.11 2.43 -0.12 -0.27 -0.90 117.98 118.63 3it7 s PHE 35 Ca -0.00 -0.74 0.00 0.00 -0.05 0.00 0.00 56.93 56.14 3it7 s PHE 35 Cb -0.10 -0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 41.81 3it7 s PHE 35 CO 0.02 -0.14 0.27 -0.51 -0.05 0.00 0.00 175.22 174.81 3it7 s ASP 36 N -2.35 6.37 -0.03 1.98 1.01 -1.26 -1.09 116.67 121.30 3it7 s ASP 36 Ca 0.01 0.28 -0.09 0.00 0.71 0.00 0.00 52.55 53.46 3it7 s ASP 36 Cb -0.02 -1.96 0.01 0.00 1.01 0.00 0.00 42.92 41.96 3it7 s ASP 36 CO -0.03 0.10 0.20 0.00 0.21 0.00 0.00 175.17 175.66 3it7 s ALA 37 N -1.63 -0.50 -0.06 5.23 0.00 -0.36 -1.32 121.76 123.12 3it7 s ALA 37 Ca 0.36 0.21 -0.21 0.00 0.00 0.00 0.00 51.96 52.31 3it7 s ALA 37 Cb -0.12 -0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.00 3it7 s ALA 37 CO 0.28 -0.19 0.49 0.45 0.00 0.00 0.00 175.76 176.79 3it7 s SER 38 N -0.91 -0.43 0.13 0.00 0.15 -1.01 -0.61 113.70 111.03 3it7 s SER 38 Ca -0.10 0.50 -0.18 0.00 0.70 0.00 0.00 55.95 56.87 3it7 s SER 38 Cb -0.05 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.76 3it7 s SER 38 CO 0.02 -0.46 1.77 0.22 1.20 0.00 0.00 173.24 175.99 3it7 h TYR 39 N 3.83 0.39 0.00 3.44 3.20 -1.88 0.97 116.97 126.91 3it7 h TYR 39 Ca -0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.59 3it7 h TYR 39 Cb 1.16 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.30 3it7 h TYR 39 CO 0.45 0.27 0.00 -0.40 -1.64 0.00 0.00 178.16 176.84 3it7 n ASP 40 N -4.86 0.00 -3.67 -2.11 5.75 -1.26 -4.33 116.55 106.08 3it7 n ASP 40 Ca -0.02 -1.00 -0.30 0.00 -0.01 0.00 0.00 54.79 53.46 3it7 n ASP 40 Cb 0.04 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.17 3it7 n ASP 40 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3it7 n TRP 41 N 0.00 -1.96 -2.13 2.11 7.02 -1.26 -4.97 117.44 116.25 3it7 n TRP 41 Ca 0.00 0.49 -0.11 0.00 -1.02 0.00 0.00 57.50 56.86 3it7 n TRP 41 Cb 0.35 -3.40 0.06 0.00 -2.42 0.00 0.00 31.31 25.90 3it7 n TRP 41 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3it7 n PRO 42 N -3.99 0.05 -1.95 -0.99 -0.04 -1.26 -4.99 135.00 121.83 3it7 n PRO 42 Ca -0.10 -1.12 -0.30 0.00 -0.04 0.00 0.00 63.50 61.94 3it7 n PRO 42 Cb 0.59 -0.38 0.02 0.00 -0.04 0.00 0.00 33.50 33.70 3it7 n PRO 42 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3it7 s ARG 43 N -3.78 3.29 0.45 0.54 0.52 -1.26 -4.02 118.95 114.69 3it7 s ARG 43 Ca 0.30 0.57 -0.23 0.00 -0.52 0.00 0.00 55.73 55.85 3it7 s ARG 43 Cb -0.01 -2.09 -0.10 0.00 0.52 0.00 0.00 34.95 33.27 3it7 s ARG 43 CO 0.20 -0.72 1.02 0.91 0.02 0.00 0.00 175.30 176.73 3it7 n TRP 44 N -2.80 1.18 -0.41 -0.53 7.02 -1.26 -2.79 117.44 117.84 3it7 n TRP 44 Ca 0.06 0.53 0.00 0.00 -1.02 0.00 0.00 57.50 57.07 3it7 n TRP 44 Cb 0.55 -2.22 0.00 0.00 -2.42 0.00 0.00 31.31 27.22 3it7 n TRP 44 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3it7 n GLY 45 N 1.17 0.72 3.98 6.99 0.00 0.59 -5.03 105.19 113.61 3it7 n GLY 45 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 3it7 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3it7 s SER 46 N -2.80 5.56 0.34 1.61 0.01 -1.12 -5.06 113.70 112.24 3it7 s SER 46 Ca 0.00 -0.03 -0.29 0.00 1.31 0.00 0.00 55.95 56.95 3it7 s SER 46 Cb 0.00 -1.04 -0.12 0.00 0.21 0.00 0.00 66.02 65.07 3it7 s SER 46 CO 0.00 -0.89 1.44 0.00 0.41 0.00 0.00 173.24 174.20 3it7 n ALA 47 N -2.11 1.95 -2.44 1.44 0.00 -1.26 -4.77 120.51 113.31 3it7 n ALA 47 Ca 0.05 0.36 -0.21 0.00 0.00 0.00 0.00 53.44 53.64 3it7 n ALA 47 Cb 0.59 -2.36 -0.11 0.00 0.00 0.00 0.00 19.45 17.57 3it7 n ALA 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3it7 s THR 48 N -0.83 1.20 0.26 0.00 -4.23 -1.26 -4.96 115.64 105.82 3it7 s THR 48 Ca 0.57 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 3it7 s THR 48 Cb -0.52 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 70.51 3it7 s THR 48 CO 0.60 -0.03 0.08 -0.31 -0.54 0.00 0.00 174.62 174.41 3it7 s TYR 49 N -3.29 1.60 -0.13 3.99 2.02 -1.26 -4.95 117.35 115.33 3it7 s TYR 49 Ca 0.36 -1.11 -0.29 0.00 -0.37 0.00 0.00 57.07 55.65 3it7 s TYR 49 Cb 0.08 -0.96 -0.03 0.00 -0.40 0.00 0.00 41.96 40.65 3it7 s TYR 49 CO 0.15 -0.24 1.42 -1.12 -1.57 0.00 0.00 175.55 174.19 3it7 s SER 50 N -3.34 6.81 -0.04 2.29 0.01 -1.26 -2.98 113.70 115.19 3it7 s SER 50 Ca 0.36 1.88 -0.22 0.00 1.31 0.00 0.00 55.95 59.28 3it7 s SER 50 Cb 0.08 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 3it7 s SER 50 CO 0.13 -0.85 0.64 -0.69 0.41 0.00 0.00 173.24 172.88 3it7 s VAL 51 N 3.79 4.98 0.17 3.43 1.01 0.23 -4.15 120.40 129.86 3it7 s VAL 51 Ca 0.62 1.32 0.09 0.00 0.00 0.00 0.00 61.98 64.02 3it7 s VAL 51 Cb -0.26 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3it7 s VAL 51 CO 0.21 0.34 -0.19 0.68 0.00 0.00 0.00 175.10 176.14 3it7 s VAL 52 N 0.29 1.90 0.16 2.92 -7.23 -0.55 -0.19 120.40 117.70 3it7 s VAL 52 Ca 0.34 -1.95 -0.34 0.00 -1.81 0.00 0.00 61.98 58.22 3it7 s VAL 52 Cb -0.18 -1.89 -0.13 0.00 0.56 0.00 0.00 36.38 34.73 3it7 s VAL 52 CO 0.17 -0.30 1.61 0.00 -0.31 0.00 0.00 175.10 176.27 3it7 n ALA 53 N 0.24 1.63 0.25 1.32 0.00 0.47 -4.45 120.51 119.97 3it7 n ALA 53 Ca -0.13 0.43 0.14 0.00 0.00 0.00 0.00 53.44 53.89 3it7 n ALA 53 Cb 0.57 -2.39 0.51 0.00 0.00 0.00 0.00 19.45 18.14 3it7 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3it7 h ALA 54 N 6.15 0.99 -3.00 0.00 0.00 -1.85 -0.16 119.26 121.40 3it7 h ALA 54 Ca -0.45 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.44 3it7 h ALA 54 Cb 1.24 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3it7 h ALA 54 CO 0.90 0.08 0.23 -3.38 0.00 0.00 0.00 179.25 177.09 3it7 s HIS 55 N -3.54 -0.08 0.55 0.00 -3.43 -1.26 -0.01 115.29 107.50 3it7 s HIS 55 Ca 0.02 -0.43 -0.19 0.00 -0.80 0.00 0.00 55.06 53.66 3it7 s HIS 55 Cb 0.08 0.73 -0.06 0.00 -1.43 0.00 0.00 32.58 31.90 3it7 s HIS 55 CO 0.60 -1.32 1.13 0.00 -2.00 0.00 0.00 174.74 173.14 3it7 s ALA 56 N -3.48 2.69 0.00 -1.38 0.00 -1.26 -3.70 121.76 114.64 3it7 s ALA 56 Ca 0.13 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3it7 s ALA 56 Cb -0.06 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3it7 s ALA 56 CO 0.08 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.48 3it7 n GLY 57 N 0.13 -1.66 3.76 0.00 0.00 -0.28 -4.05 105.19 103.09 3it7 n GLY 57 Ca 0.12 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 3it7 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3it7 s THR 58 N -2.78 5.19 0.12 2.61 2.01 -0.19 -1.20 115.64 121.40 3it7 s THR 58 Ca 0.00 0.77 -0.28 0.00 0.31 0.00 0.00 61.69 62.49 3it7 s THR 58 Cb 0.00 -3.72 -0.07 0.00 0.01 0.00 0.00 72.50 68.73 3it7 s THR 58 CO 0.00 0.43 0.87 -0.69 -0.69 0.00 0.00 174.62 174.54 3it7 s VAL 59 N 0.05 4.48 -0.13 3.82 1.01 -0.32 -1.48 120.40 127.83 3it7 s VAL 59 Ca 0.22 1.89 0.03 0.00 0.00 0.00 0.00 61.98 64.11 3it7 s VAL 59 Cb -0.15 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.01 3it7 s VAL 59 CO 0.09 0.39 -0.21 -0.13 0.00 0.00 0.00 175.10 175.24 3it7 s ARG 60 N -0.39 2.89 -0.50 2.72 0.52 0.04 -0.64 118.95 123.58 3it7 s ARG 60 Ca 0.42 -0.81 -0.20 0.00 -0.52 0.00 0.00 55.73 54.62 3it7 s ARG 60 Cb -0.23 -2.33 0.05 0.00 0.52 0.00 0.00 34.95 32.96 3it7 s ARG 60 CO 0.28 0.00 0.67 0.08 0.02 0.00 0.00 175.30 176.35 3it7 s VAL 61 N 0.78 4.79 -0.15 3.52 1.01 -1.26 -0.72 120.40 128.37 3it7 s VAL 61 Ca -0.08 -0.29 0.15 0.00 0.00 0.00 0.00 61.98 61.76 3it7 s VAL 61 Cb -0.16 -4.32 0.05 0.00 0.00 0.00 0.00 36.38 31.95 3it7 s VAL 61 CO -0.01 -0.82 1.40 -0.07 0.00 0.00 0.00 175.10 175.60 3it7 h LEU 62 N 9.90 0.00 0.00 3.92 3.38 -1.10 -3.48 115.31 127.92 3it7 h LEU 62 Ca -0.27 0.00 0.23 0.00 0.09 0.00 0.00 57.88 57.93 3it7 h LEU 62 Cb 1.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 3it7 h LEU 62 CO 0.97 0.51 0.65 -1.54 0.09 0.00 0.00 178.44 179.12 3it7 n SER 63 N -3.20 -1.19 0.00 -0.43 3.41 -1.11 -4.93 113.62 106.17 3it7 n SER 63 Ca 0.01 -1.43 0.04 0.00 -0.26 0.00 0.00 58.87 57.23 3it7 n SER 63 Cb 0.74 1.89 0.19 0.00 -0.26 0.00 0.00 64.21 66.78 3it7 n SER 63 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3it7 n ARG 64 N -0.71 0.03 -0.07 4.33 1.85 -1.26 -2.64 116.66 118.19 3it7 n ARG 64 Ca 0.02 0.32 0.03 0.00 -1.00 0.00 0.00 57.85 57.21 3it7 n ARG 64 Cb 0.49 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.44 3it7 n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3it7 s GLN 66 N -1.26 0.31 0.04 0.00 0.74 -1.08 -1.36 119.66 117.05 3it7 s GLN 66 Ca 0.09 0.74 0.07 0.00 0.05 0.00 0.00 55.36 56.30 3it7 s GLN 66 Cb 0.08 -0.02 -0.02 0.00 1.10 0.00 0.00 33.01 34.14 3it7 s GLN 66 CO 0.01 -0.18 -0.19 0.08 -0.55 0.00 0.00 175.29 174.46 3it7 s VAL 67 N 1.57 1.55 -0.02 1.34 1.01 -0.37 -0.43 120.40 125.05 3it7 s VAL 67 Ca -0.08 -1.14 0.07 0.00 0.00 0.00 0.00 61.98 60.83 3it7 s VAL 67 Cb -0.10 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3it7 s VAL 67 CO -0.11 0.18 -0.22 -0.60 0.00 0.00 0.00 175.10 174.35 3it7 s ARG 68 N -1.13 1.82 -0.18 2.72 3.52 0.10 -0.67 118.95 125.13 3it7 s ARG 68 Ca 0.06 -0.78 0.01 0.00 -0.13 0.00 0.00 55.73 54.89 3it7 s ARG 68 Cb -0.09 -1.73 0.02 0.00 -1.56 0.00 0.00 34.95 31.59 3it7 s ARG 68 CO 0.02 0.45 -0.19 0.08 -0.81 0.00 0.00 175.30 174.85 3it7 s VAL 69 N -0.46 2.18 -0.22 7.11 1.01 -0.32 -0.78 120.40 128.92 3it7 s VAL 69 Ca 0.07 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 3it7 s VAL 69 Cb -0.09 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.38 3it7 s VAL 69 CO -0.00 0.53 -0.08 -0.89 0.00 0.00 0.00 175.10 174.65 3it7 s THR 70 N 1.27 2.97 0.43 3.92 2.01 -0.55 -1.11 115.64 124.58 3it7 s THR 70 Ca 0.04 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.14 3it7 s THR 70 Cb -0.13 -2.36 -0.11 0.00 0.01 0.00 0.00 72.50 69.91 3it7 s THR 70 CO -0.11 0.41 0.96 -2.28 -0.69 0.00 0.00 174.62 172.91 3it7 s HIS 71 N 1.41 3.28 0.60 4.92 2.46 0.63 -1.02 115.29 127.57 3it7 s HIS 71 Ca 0.05 1.61 0.34 0.00 0.47 0.00 0.00 55.06 57.53 3it7 s HIS 71 Cb -0.14 -2.89 1.99 0.00 -0.13 0.00 0.00 32.58 31.41 3it7 s HIS 71 CO -0.06 -0.21 2.28 -1.35 -2.47 0.00 0.00 174.74 172.93 3it7 h PRO 72 N 1.92 0.00 0.00 2.88 0.11 -1.86 -0.78 132.00 134.27 3it7 h PRO 72 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3it7 h PRO 72 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3it7 h PRO 72 CO 0.61 0.01 0.00 0.66 -0.21 0.00 0.00 178.00 179.07 3it7 h SER 73 N 0.00 0.00 0.00 -2.05 4.64 -1.98 -3.46 113.55 110.70 3it7 h SER 73 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3it7 h SER 73 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3it7 h SER 73 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3it7 n GLY 74 N -0.57 2.35 3.77 -0.77 0.00 -0.30 -4.94 105.19 104.72 3it7 n GLY 74 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3it7 n GLY 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3it7 s TRP 75 N -2.56 2.89 0.13 1.61 0.52 -1.26 -1.22 118.94 119.06 3it7 s TRP 75 Ca 0.00 1.47 -0.12 0.00 0.02 0.00 0.00 56.10 57.47 3it7 s TRP 75 Cb 0.00 -3.56 0.01 0.00 -1.15 0.00 0.00 33.47 28.77 3it7 s TRP 75 CO 0.00 -1.81 0.32 0.00 0.02 0.00 0.00 176.95 175.48 3it7 s ALA 76 N -1.33 -0.49 0.05 0.98 0.00 0.03 -0.27 121.76 120.74 3it7 s ALA 76 Ca 0.58 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 52.14 3it7 s ALA 76 Cb -0.35 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 3it7 s ALA 76 CO 0.44 -0.62 -0.14 0.95 0.00 0.00 0.00 175.76 176.39 3it7 s THR 77 N -3.87 1.14 0.09 0.00 -4.23 -0.27 -0.39 115.64 108.13 3it7 s THR 77 Ca 0.08 -1.12 0.10 0.00 -1.18 0.00 0.00 61.69 59.56 3it7 s THR 77 Cb 0.03 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.77 3it7 s THR 77 CO -0.08 -0.07 -0.24 0.21 -0.54 0.00 0.00 174.62 173.91 3it7 s ASN 78 N -1.36 3.47 -0.17 3.99 2.47 0.15 -1.18 114.94 122.32 3it7 s ASN 78 Ca 0.01 -0.63 -0.03 0.00 0.42 0.00 0.00 52.86 52.63 3it7 s ASN 78 Cb -0.09 -0.36 0.05 0.00 -1.45 0.00 0.00 41.25 39.41 3it7 s ASN 78 CO 0.02 0.21 0.04 -0.31 -3.72 0.00 0.00 177.10 173.34 3it7 s TYR 79 N -1.00 0.80 0.26 0.43 1.51 0.16 -1.38 117.35 118.14 3it7 s TYR 79 Ca 0.14 -0.63 0.11 0.00 -1.01 0.00 0.00 57.07 55.69 3it7 s TYR 79 Cb -0.10 -0.92 -0.05 0.00 -0.11 0.00 0.00 41.96 40.78 3it7 s TYR 79 CO 0.06 -0.54 -0.18 -0.47 -1.11 0.00 0.00 175.55 173.31 3it7 s TYR 80 N 1.93 2.36 -0.82 2.71 5.04 -0.08 -1.24 117.35 127.26 3it7 s TYR 80 Ca 0.01 -0.32 -0.01 0.00 -2.44 0.00 0.00 57.07 54.31 3it7 s TYR 80 Cb -0.16 -1.05 0.00 0.00 0.35 0.00 0.00 41.96 41.10 3it7 s TYR 80 CO -0.08 0.67 0.18 0.72 -1.34 0.00 0.00 175.55 175.70 3it7 n HIS 81 N -0.50 -0.78 -1.80 4.97 8.25 -0.89 -1.90 115.22 122.56 3it7 n HIS 81 Ca -0.06 0.16 -0.30 0.00 -0.26 0.00 0.00 57.72 57.25 3it7 n HIS 81 Cb 0.59 -2.63 0.06 0.00 1.12 0.00 0.00 29.99 29.13 3it7 n HIS 81 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3it7 s MET 82 N -4.87 2.59 0.19 -0.41 -1.94 -0.46 0.47 119.30 114.87 3it7 s MET 82 Ca 0.09 0.47 -0.18 0.00 -1.71 0.00 0.00 55.69 54.37 3it7 s MET 82 Cb -0.04 -1.99 0.03 0.00 2.01 0.00 0.00 34.83 34.84 3it7 s MET 82 CO 0.11 -1.23 0.52 0.34 -0.01 0.00 0.00 175.02 174.75 3it7 s ASP 83 N -4.27 -0.28 -1.51 3.03 2.15 0.31 -4.27 116.67 111.83 3it7 s ASP 83 Ca 0.59 -0.43 -0.08 0.00 0.43 0.00 0.00 52.55 53.06 3it7 s ASP 83 Cb -0.12 0.57 0.06 0.00 -0.30 0.00 0.00 42.92 43.14 3it7 s ASP 83 CO 0.52 -1.03 0.67 0.00 -0.17 0.00 0.00 175.17 175.16 3it7 n GLN 84 N -0.33 -3.89 -1.85 4.34 6.02 -1.26 -1.54 117.38 118.87 3it7 n GLN 84 Ca -0.11 0.46 -0.42 0.00 -0.01 0.00 0.00 57.00 56.92 3it7 n GLN 84 Cb 0.63 -4.96 -0.03 0.00 1.02 0.00 0.00 30.24 26.90 3it7 n GLN 84 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3it7 s ILE 85 N -3.60 2.75 -0.16 5.09 1.01 -1.26 -4.27 121.20 120.75 3it7 s ILE 85 Ca 0.35 0.31 0.16 0.00 0.00 0.00 0.00 60.65 61.47 3it7 s ILE 85 Cb -0.18 -3.20 0.34 0.00 0.01 0.00 0.00 42.46 39.43 3it7 s ILE 85 CO 0.88 0.00 1.19 0.00 0.00 0.00 0.00 174.94 177.01 3it7 n GLN 86 N 5.30 1.44 -4.40 2.79 10.64 -0.46 -4.97 117.38 127.71 3it7 n GLN 86 Ca 0.16 -2.85 -0.25 0.00 -1.83 0.00 0.00 57.00 52.23 3it7 n GLN 86 Cb 0.39 -1.56 -0.10 0.00 -0.86 0.00 0.00 30.24 28.11 3it7 n GLN 86 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 3it7 s VAL 87 N -3.01 2.68 0.26 -0.39 -7.23 -1.25 -4.97 120.40 106.49 3it7 s VAL 87 Ca 0.35 -2.09 0.11 0.00 -1.81 0.00 0.00 61.98 58.54 3it7 s VAL 87 Cb 0.31 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 3it7 s VAL 87 CO -0.00 -0.25 -0.18 -0.44 -0.31 0.00 0.00 175.10 173.92 3it7 s SER 88 N -3.13 3.72 0.03 4.85 0.01 -1.26 -4.94 113.70 112.97 3it7 s SER 88 Ca 0.26 -0.94 -0.34 0.00 1.31 0.00 0.00 55.95 56.24 3it7 s SER 88 Cb -0.07 -0.38 -0.13 0.00 0.21 0.00 0.00 66.02 65.65 3it7 s SER 88 CO 0.14 0.05 1.73 0.59 0.41 0.00 0.00 173.24 176.15 3it7 n ASN 89 N -0.50 3.21 0.00 2.44 3.02 -1.26 -1.60 115.26 120.57 3it7 n ASN 89 Ca -0.06 1.03 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 3it7 n ASN 89 Cb 0.59 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 3it7 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3it7 n GLY 90 N 3.90 1.43 3.76 7.41 0.00 0.18 -4.99 105.19 116.88 3it7 n GLY 90 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3it7 n GLY 90 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3it7 s GLN 91 N -0.46 4.11 -0.24 1.61 0.74 -0.63 -4.64 119.66 120.15 3it7 s GLN 91 Ca 0.00 2.59 -0.19 0.00 0.05 0.00 0.00 55.36 57.81 3it7 s GLN 91 Cb 0.00 -3.00 -0.03 0.00 1.10 0.00 0.00 33.01 31.08 3it7 s GLN 91 CO 0.00 -0.61 0.56 -0.65 -0.55 0.00 0.00 175.29 174.04 3it7 s GLN 92 N -1.04 4.12 0.28 1.67 -1.52 -1.26 -1.18 119.66 120.73 3it7 s GLN 92 Ca 0.60 0.43 0.11 0.00 -1.95 0.00 0.00 55.36 54.55 3it7 s GLN 92 Cb -0.48 -3.63 -0.05 0.00 -0.22 0.00 0.00 33.01 28.64 3it7 s GLN 92 CO 0.53 -0.32 -0.16 0.14 -0.25 0.00 0.00 175.29 175.24 3it7 s VAL 93 N 2.19 2.66 0.37 1.09 -7.23 -0.34 -4.98 120.40 114.15 3it7 s VAL 93 Ca 0.24 -2.31 0.08 0.00 -1.81 0.00 0.00 61.98 58.18 3it7 s VAL 93 Cb -0.16 -2.42 -0.06 0.00 0.56 0.00 0.00 36.38 34.31 3it7 s VAL 93 CO 0.09 -0.39 0.05 -0.44 -0.31 0.00 0.00 175.10 174.10 3it7 s SER 94 N -3.55 4.15 0.18 4.85 0.01 -1.26 -1.12 113.70 116.96 3it7 s SER 94 Ca 0.30 -1.10 -0.32 0.00 1.31 0.00 0.00 55.95 56.14 3it7 s SER 94 Cb -0.05 -0.48 -0.16 0.00 0.21 0.00 0.00 66.02 65.54 3it7 s SER 94 CO 0.16 -0.35 1.14 0.00 0.41 0.00 0.00 173.24 174.60 3it7 n ALA 95 N -1.02 -0.82 -0.79 1.44 0.00 -1.24 -2.09 120.51 115.99 3it7 n ALA 95 Ca -0.04 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3it7 n ALA 95 Cb 0.64 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3it7 n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3it7 n ASP 96 N 1.96 -0.67 -4.70 0.00 2.03 -0.07 -4.95 116.55 110.14 3it7 n ASP 96 Ca 0.15 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.04 3it7 n ASP 96 Cb 0.25 -0.11 -0.03 0.00 -0.72 0.00 0.00 41.12 40.51 3it7 n ASP 96 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3it7 s THR 97 N -3.13 4.03 0.20 5.18 2.01 -0.89 -4.77 115.64 118.27 3it7 s THR 97 Ca 0.00 1.42 -0.31 0.00 0.31 0.00 0.00 61.69 63.11 3it7 s THR 97 Cb 0.00 -3.91 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 3it7 s THR 97 CO 0.00 0.05 1.47 -0.75 -0.69 0.00 0.00 174.62 174.70 3it7 s LYS 98 N 1.73 4.26 -0.19 4.92 2.20 -1.26 -0.40 119.74 131.00 3it7 s LYS 98 Ca 0.59 2.29 0.15 0.00 -0.36 0.00 0.00 55.97 58.63 3it7 s LYS 98 Cb -0.28 -3.14 -0.24 0.00 -1.51 0.00 0.00 37.83 32.66 3it7 s LYS 98 CO 0.26 -0.48 0.09 1.28 -0.36 0.00 0.00 175.35 176.14 3it7 n LEU 99 N 3.06 0.57 0.00 5.43 4.77 0.73 -4.68 117.00 126.88 3it7 n LEU 99 Ca 0.10 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3it7 n LEU 99 Cb 0.40 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3it7 n LEU 99 CO 0.61 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 3it7 n GLY 100 N 1.81 -0.53 3.62 -0.72 0.00 -1.19 -1.36 105.19 106.82 3it7 n GLY 100 Ca -0.33 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 3it7 n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3it7 s VAL 101 N -3.56 2.60 0.33 1.61 -7.23 -0.59 -0.61 120.40 112.96 3it7 s VAL 101 Ca 0.00 -2.01 -0.26 0.00 -1.81 0.00 0.00 61.98 57.90 3it7 s VAL 101 Cb 0.00 -2.77 -0.09 0.00 0.56 0.00 0.00 36.38 34.08 3it7 s VAL 101 CO 0.00 -0.21 1.00 -0.72 -0.31 0.00 0.00 175.10 174.86 3it7 s TYR 102 N -2.52 3.56 0.25 2.82 -0.85 -1.16 -0.53 117.35 118.91 3it7 s TYR 102 Ca 0.34 1.74 -0.30 0.00 -0.52 0.00 0.00 57.07 58.33 3it7 s TYR 102 Cb -0.00 -3.05 -0.10 0.00 0.38 0.00 0.00 41.96 39.19 3it7 s TYR 102 CO 0.19 -0.16 1.34 0.00 -1.52 0.00 0.00 175.55 175.39 3it7 s ALA 103 N -1.53 3.54 -2.19 9.51 0.00 0.18 -4.60 121.76 126.68 3it7 s ALA 103 Ca 0.51 1.20 0.26 0.00 0.00 0.00 0.00 51.96 53.93 3it7 s ALA 103 Cb -0.22 -3.50 0.70 0.00 0.00 0.00 0.00 23.12 20.10 3it7 s ALA 103 CO 0.28 -0.60 1.53 0.41 0.00 0.00 0.00 175.76 177.38 3it7 n GLY 104 N 1.91 -0.13 3.12 0.00 0.00 -1.26 -4.41 105.19 104.42 3it7 n GLY 104 Ca 0.05 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 3it7 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3it7 s ASN 105 N -2.27 1.44 0.25 1.61 4.22 -1.26 -0.30 114.94 118.63 3it7 s ASN 105 Ca 0.29 -0.49 0.00 0.00 -2.14 0.00 0.00 52.86 50.52 3it7 s ASN 105 Cb 0.20 -0.06 0.31 0.00 1.28 0.00 0.00 41.25 42.98 3it7 s ASN 105 CO 0.44 -0.04 1.67 -0.29 -2.04 0.00 0.00 177.10 176.84 3it7 h ILE 106 N 4.49 1.28 -0.00 0.54 2.10 -1.99 -1.73 117.51 122.20 3it7 h ILE 106 Ca -0.38 -1.37 -0.11 0.00 1.08 0.00 0.00 64.86 64.08 3it7 h ILE 106 Cb 1.19 1.38 -0.02 0.00 -1.09 0.00 0.00 36.82 38.28 3it7 h ILE 106 CO 0.43 0.44 -0.54 -0.55 -1.08 0.00 0.00 178.15 176.85 3it7 h ASN 107 N 0.48 0.01 0.17 2.19 -1.07 -1.97 -1.50 115.58 113.88 3it7 h ASN 107 Ca 0.06 -0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.19 3it7 h ASN 107 Cb 0.75 -0.00 0.03 0.00 -2.07 0.00 0.00 38.32 37.02 3it7 h ASN 107 CO 0.06 0.54 -1.05 0.74 0.07 0.00 0.00 177.43 177.79 3it7 h THR 108 N 0.01 1.42 -0.98 6.14 2.02 -1.92 -3.16 112.91 116.43 3it7 h THR 108 Ca -0.01 -2.55 0.14 0.00 0.77 0.00 0.00 66.41 64.76 3it7 h THR 108 Cb 0.95 3.08 -0.09 0.00 -1.74 0.00 0.00 68.15 70.34 3it7 h THR 108 CO 0.07 0.74 0.60 0.00 0.37 0.00 0.00 175.52 177.30 3it7 h ALA 109 N 0.14 1.52 -0.84 6.16 0.00 -1.12 -2.40 119.26 122.72 3it7 h ALA 109 Ca -0.18 0.05 -0.59 0.00 0.00 0.00 0.00 54.91 54.18 3it7 h ALA 109 Cb 1.81 -0.15 -0.37 0.00 0.00 0.00 0.00 17.79 19.08 3it7 h ALA 109 CO 0.20 0.11 -0.14 1.28 0.00 0.00 0.00 179.25 180.70 3it7 n LEU 110 N -4.69 6.01 0.26 0.00 4.77 -0.58 -3.77 117.00 118.98 3it7 n LEU 110 Ca 0.20 -4.55 0.17 0.00 -0.03 0.00 0.00 56.01 51.80 3it7 n LEU 110 Cb 0.42 -0.60 0.88 0.00 -2.33 0.00 0.00 43.42 41.80 3it7 n LEU 110 CO 0.25 1.84 1.02 0.00 -1.33 0.00 0.00 177.39 179.17 3it7 n GLU 112 N -2.74 2.86 0.00 0.00 1.02 -1.26 -5.05 120.64 115.47 3it7 n GLU 112 Ca -0.02 -1.83 0.00 0.00 -0.02 0.00 0.00 57.16 55.29 3it7 n GLU 112 Cb 0.11 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3it7 n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3it7 n GLY 113 N -0.15 -3.28 0.00 0.62 0.00 -0.25 -5.14 105.19 96.98 3it7 n GLY 113 Ca 0.06 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3it7 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3it7 n GLY 114 N -0.13 -1.47 3.09 -0.02 0.00 -1.26 -4.70 105.19 100.68 3it7 n GLY 114 Ca 0.00 -2.08 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 3it7 n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3it7 s SER 115 N -4.00 0.57 -0.17 1.61 1.04 -1.26 -5.01 113.70 106.48 3it7 s SER 115 Ca 0.00 -0.91 -0.23 0.00 0.48 0.00 0.00 55.95 55.29 3it7 s SER 115 Cb 0.00 0.16 0.06 0.00 0.10 0.00 0.00 66.02 66.34 3it7 s SER 115 CO 0.00 -0.52 0.61 -0.55 0.98 0.00 0.00 173.24 173.76 3it7 s SER 116 N -2.67 -0.62 0.34 7.02 0.15 -1.26 -5.04 113.70 111.63 3it7 s SER 116 Ca 0.04 1.03 0.20 0.00 0.70 0.00 0.00 55.95 57.91 3it7 s SER 116 Cb 0.04 1.01 0.19 0.00 -1.71 0.00 0.00 66.02 65.55 3it7 s SER 116 CO -0.07 -0.33 1.46 0.71 1.20 0.00 0.00 173.24 176.20 3it7 h THR 117 N 3.84 0.33 0.00 6.45 1.35 -2.02 -3.49 112.91 119.36 3it7 h THR 117 Ca -0.28 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.10 3it7 h THR 117 Cb 1.16 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 3it7 h THR 117 CO 0.20 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 3it7 n GLY 118 N 1.17 0.09 3.68 5.82 0.00 -1.26 -4.79 105.19 109.89 3it7 n GLY 118 Ca 0.02 -1.09 -0.47 0.00 0.00 0.00 0.00 46.02 44.48 3it7 n GLY 118 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3it7 n PRO 119 N -0.56 2.21 -3.61 1.61 -0.02 -1.26 -4.97 135.00 128.41 3it7 n PRO 119 Ca 0.00 0.80 -0.05 0.00 -2.02 0.00 0.00 63.50 62.23 3it7 n PRO 119 Cb 0.00 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 30.85 3it7 n PRO 119 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3it7 s HIS 120 N 2.45 -0.20 -0.13 6.00 -3.43 -1.26 -4.43 115.29 114.29 3it7 s HIS 120 Ca 0.85 0.04 -0.14 0.00 -0.80 0.00 0.00 55.06 55.01 3it7 s HIS 120 Cb -0.67 0.56 -0.05 0.00 -1.43 0.00 0.00 32.58 31.00 3it7 s HIS 120 CO 0.44 -0.52 0.33 -1.17 -2.00 0.00 0.00 174.74 171.82 3it7 s LEU 121 N -2.63 4.28 -0.41 5.38 2.96 0.22 -4.59 118.68 123.90 3it7 s LEU 121 Ca 0.09 0.62 -0.15 0.00 -0.22 0.00 0.00 54.13 54.47 3it7 s LEU 121 Cb -0.00 -2.45 0.03 0.00 0.50 0.00 0.00 46.19 44.27 3it7 s LEU 121 CO -0.04 0.12 0.30 -2.28 -1.32 0.00 0.00 176.35 173.13 3it7 s HIS 122 N 0.25 3.24 -0.13 5.38 5.65 -0.80 -1.22 115.29 127.67 3it7 s HIS 122 Ca 0.19 -0.67 -0.01 0.00 0.25 0.00 0.00 55.06 54.81 3it7 s HIS 122 Cb -0.14 -2.64 -0.02 0.00 -1.18 0.00 0.00 32.58 28.60 3it7 s HIS 122 CO 0.06 -0.62 -0.09 0.12 -0.65 0.00 0.00 174.74 173.56 3it7 s PHE 123 N 1.66 2.91 0.03 3.88 5.36 -0.25 -0.90 117.98 130.67 3it7 s PHE 123 Ca 0.05 -0.42 0.03 0.00 -0.96 0.00 0.00 56.93 55.63 3it7 s PHE 123 Cb -0.20 -1.87 -0.02 0.00 -0.34 0.00 0.00 43.02 40.60 3it7 s PHE 123 CO 0.09 -0.07 -0.10 -1.12 -1.46 0.00 0.00 175.22 172.57 3it7 s SER 124 N 0.19 1.10 -0.17 6.13 0.01 -0.48 -1.12 113.70 119.37 3it7 s SER 124 Ca -0.05 -0.43 -0.10 0.00 1.31 0.00 0.00 55.95 56.68 3it7 s SER 124 Cb -0.15 -0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.00 3it7 s SER 124 CO 0.04 -0.06 0.17 -0.22 0.41 0.00 0.00 173.24 173.57 3it7 s LEU 125 N -1.13 4.27 0.10 2.44 2.96 -0.10 -0.67 118.68 126.54 3it7 s LEU 125 Ca -0.03 0.35 0.06 0.00 -0.22 0.00 0.00 54.13 54.29 3it7 s LEU 125 Cb -0.08 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 3it7 s LEU 125 CO 0.01 0.23 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.36 3it7 s LEU 126 N 0.00 2.36 -0.04 -0.68 1.02 0.48 -1.42 118.68 120.39 3it7 s LEU 126 Ca 0.11 -0.74 -0.00 0.00 0.02 0.00 0.00 54.13 53.52 3it7 s LEU 126 Cb -0.12 -0.54 0.03 0.00 0.02 0.00 0.00 46.19 45.58 3it7 s LEU 126 CO 0.01 -0.12 0.00 -0.47 0.02 0.00 0.00 176.35 175.79 3it7 s TYR 127 N -1.82 0.44 -1.59 0.29 5.04 0.04 -0.78 117.35 118.96 3it7 s TYR 127 Ca 0.05 -0.04 -0.12 0.00 -2.44 0.00 0.00 57.07 54.51 3it7 s TYR 127 Cb -0.07 -0.56 0.10 0.00 0.35 0.00 0.00 41.96 41.79 3it7 s TYR 127 CO 0.03 -0.20 0.70 0.09 -1.34 0.00 0.00 175.55 174.83 3it7 n ASN 128 N 4.53 -2.61 0.00 4.32 3.02 -0.35 -1.50 115.26 122.66 3it7 n ASN 128 Ca -0.18 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 3it7 n ASN 128 Cb 0.50 -2.99 0.00 0.00 -0.61 0.00 0.00 39.78 36.68 3it7 n ASN 128 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3it7 n GLY 129 N -1.62 1.53 3.59 7.41 0.00 -1.26 -5.02 105.19 109.82 3it7 n GLY 129 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3it7 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it7 s ALA 130 N -3.03 3.22 0.04 4.61 0.00 -0.56 -5.07 121.76 120.96 3it7 s ALA 130 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 3it7 s ALA 130 Cb 0.00 -1.68 -0.07 0.00 0.00 0.00 0.00 23.12 21.36 3it7 s ALA 130 CO 0.00 0.28 1.58 -0.06 0.00 0.00 0.00 175.76 177.56 3it7 s PHE 131 N 0.11 2.52 0.29 0.00 0.40 -1.26 -0.78 117.98 119.25 3it7 s PHE 131 Ca 0.02 0.46 0.10 0.00 -0.60 0.00 0.00 56.93 56.90 3it7 s PHE 131 Cb -0.13 -3.87 -0.06 0.00 0.51 0.00 0.00 43.02 39.47 3it7 s PHE 131 CO 0.02 -3.45 -0.13 0.14 0.70 0.00 0.00 175.22 172.50 3it7 s VAL 132 N 2.66 2.13 0.30 -0.44 -7.23 -0.51 -4.81 120.40 112.51 3it7 s VAL 132 Ca 0.71 -2.26 -0.30 0.00 -1.81 0.00 0.00 61.98 58.32 3it7 s VAL 132 Cb -0.37 -2.40 -0.12 0.00 0.56 0.00 0.00 36.38 34.05 3it7 s VAL 132 CO 0.30 -0.35 1.44 -0.24 -0.31 0.00 0.00 175.10 175.95 3it7 n SER 133 N -0.63 3.24 0.01 4.85 2.88 -1.26 -3.88 113.62 118.82 3it7 n SER 133 Ca -0.06 1.17 0.12 0.00 -1.33 0.00 0.00 58.87 58.78 3it7 n SER 133 Cb 0.62 -1.52 0.50 0.00 -0.75 0.00 0.00 64.21 63.06 3it7 n SER 133 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3it7 n LEU 134 N 1.53 0.07 -4.68 2.46 4.77 -0.56 -4.85 117.00 115.74 3it7 n LEU 134 Ca 0.07 0.51 -0.48 0.00 -0.03 0.00 0.00 56.01 56.08 3it7 n LEU 134 Cb 0.35 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 3it7 n LEU 134 CO 0.63 -0.11 1.46 1.67 -1.33 0.00 0.00 177.39 179.71 3it7 n GLN 135 N -1.57 2.21 -0.85 3.23 -0.06 -1.26 -1.09 117.38 117.99 3it7 n GLN 135 Ca 0.06 0.81 0.00 0.00 -2.00 0.00 0.00 57.00 55.87 3it7 n GLN 135 Cb 0.29 -2.65 0.00 0.00 -4.06 0.00 0.00 30.24 23.82 3it7 n GLN 135 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3it7 n GLY 136 N 4.29 1.08 3.75 1.69 0.00 -0.46 -4.25 105.19 111.29 3it7 n GLY 136 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 3it7 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it7 s ALA 137 N -3.77 3.35 -0.13 4.61 0.00 -0.25 -3.14 121.76 122.43 3it7 s ALA 137 Ca 0.00 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 52.48 3it7 s ALA 137 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3it7 s ALA 137 CO 0.00 0.20 0.06 -1.12 0.00 0.00 0.00 175.76 174.90 3it7 s SER 138 N -1.05 5.71 -0.23 0.00 0.01 -1.26 -1.04 113.70 115.85 3it7 s SER 138 Ca 0.41 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.89 3it7 s SER 138 Cb -0.25 -1.82 0.06 0.00 0.21 0.00 0.00 66.02 64.21 3it7 s SER 138 CO 0.31 0.32 -0.04 -0.36 0.41 0.00 0.00 173.24 173.88 3it7 s PHE 139 N -0.48 2.13 0.00 2.43 0.40 0.36 -4.49 117.98 118.33 3it7 s PHE 139 Ca 0.10 -1.58 0.00 0.00 -0.60 0.00 0.00 56.93 54.85 3it7 s PHE 139 Cb -0.12 -1.47 0.00 0.00 0.51 0.00 0.00 43.02 41.94 3it7 s PHE 139 CO 0.02 -0.74 0.00 0.41 0.70 0.00 0.00 175.22 175.61 3it7 n GLY 140 N 4.74 3.21 0.22 4.36 0.00 -0.16 -1.96 105.19 115.60 3it7 n GLY 140 Ca -0.11 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.82 3it7 n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3it7 n PRO 141 N 14.00 1.30 -3.49 1.61 -0.04 -1.26 -4.19 135.00 142.93 3it7 n PRO 141 Ca 0.00 -0.44 -0.37 0.00 -0.04 0.00 0.00 63.50 62.65 3it7 n PRO 141 Cb 0.00 -1.44 -0.07 0.00 -0.04 0.00 0.00 33.50 31.95 3it7 n PRO 141 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3it7 s TYR 142 N -1.97 3.45 -0.18 0.54 2.02 -0.83 -3.82 117.35 116.57 3it7 s TYR 142 Ca 0.39 0.62 -0.06 0.00 -0.37 0.00 0.00 57.07 57.65 3it7 s TYR 142 Cb 0.19 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 3it7 s TYR 142 CO 0.31 0.19 0.03 0.50 -1.57 0.00 0.00 175.55 175.02 3it7 s ARG 143 N 0.60 3.87 0.05 -0.62 3.52 0.74 -0.49 118.95 126.62 3it7 s ARG 143 Ca 0.18 -0.40 -0.27 0.00 -0.13 0.00 0.00 55.73 55.10 3it7 s ARG 143 Cb -0.13 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.07 3it7 s ARG 143 CO 0.05 0.24 0.85 0.42 -0.81 0.00 0.00 175.30 176.05 3it7 s ILE 144 N 0.44 4.69 -0.22 4.11 1.01 -0.21 -0.36 121.20 130.65 3it7 s ILE 144 Ca 0.01 1.81 -0.05 0.00 0.00 0.00 0.00 60.65 62.42 3it7 s ILE 144 Cb -0.13 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 3it7 s ILE 144 CO 0.01 0.32 0.00 0.21 0.00 0.00 0.00 174.94 175.48 3it7 s ASN 145 N 0.14 4.68 0.29 3.58 2.47 0.28 -1.35 114.94 125.03 3it7 s ASN 145 Ca 0.43 -0.29 -0.28 0.00 0.42 0.00 0.00 52.86 53.14 3it7 s ASN 145 Cb -0.21 -1.82 -0.09 0.00 -1.45 0.00 0.00 41.25 37.68 3it7 s ASN 145 CO 0.26 -0.00 0.97 -0.69 -3.72 0.00 0.00 177.10 173.91 3it7 s VAL 146 N 1.40 4.03 0.18 -5.21 1.01 -1.26 -2.11 120.40 118.43 3it7 s VAL 146 Ca 0.05 1.84 -0.03 0.00 0.00 0.00 0.00 61.98 63.83 3it7 s VAL 146 Cb -0.15 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.19 3it7 s VAL 146 CO 0.00 0.29 0.21 0.61 0.00 0.00 0.00 175.10 176.21 3it7 n GLY 147 N 0.95 -1.71 1.00 4.51 0.00 -1.26 -4.52 105.19 104.16 3it7 n GLY 147 Ca 0.00 -1.59 0.10 0.00 0.00 0.00 0.00 46.02 44.53 3it7 n GLY 147 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3it7 n THR 148 N -2.55 0.59 -3.71 2.61 -2.24 -1.26 -4.95 114.28 102.77 3it7 n THR 148 Ca 0.03 -0.80 -0.09 0.00 -2.27 0.00 0.00 64.05 60.92 3it7 n THR 148 Cb 0.10 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.18 3it7 n THR 148 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3it7 s SER 149 N -1.27 -0.35 0.10 3.42 1.04 -1.26 -5.05 113.70 110.33 3it7 s SER 149 Ca 0.34 -0.41 -0.33 0.00 0.48 0.00 0.00 55.95 56.02 3it7 s SER 149 Cb 0.19 0.66 -0.12 0.00 0.10 0.00 0.00 66.02 66.86 3it7 s SER 149 CO 0.27 -1.18 1.73 0.59 0.98 0.00 0.00 173.24 175.63 3it7 n ASN 150 N -0.42 3.52 0.00 7.02 3.02 -1.26 -1.74 115.26 125.40 3it7 n ASN 150 Ca -0.09 1.03 0.00 0.00 -0.03 0.00 0.00 54.58 55.49 3it7 n ASN 150 Cb 0.61 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 3it7 n ASN 150 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3it7 n TYR 151 N 4.86 0.00 -1.68 3.10 4.02 -0.04 -4.97 117.16 122.45 3it7 n TYR 151 Ca 0.19 0.00 -0.50 0.00 -0.01 0.00 0.00 57.90 57.57 3it7 n TYR 151 Cb 0.32 -0.81 -0.05 0.00 -0.02 0.00 0.00 39.34 38.77 3it7 n TYR 151 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3it7 n ASP 152 N -0.22 2.98 0.00 7.72 2.03 -0.71 -4.14 116.55 124.21 3it7 n ASP 152 Ca 0.00 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.34 3it7 n ASP 152 Cb 0.11 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.20 3it7 n ASP 152 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3it7 n ASN 153 N 5.38 1.68 -4.68 1.67 0.23 -1.26 -4.07 115.26 114.20 3it7 n ASN 153 Ca 0.22 -1.84 -0.44 0.00 -0.53 0.00 0.00 54.58 51.99 3it7 n ASN 153 Cb 0.25 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.91 3it7 n ASN 153 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3it7 n ASP 154 N -0.42 3.69 0.00 0.53 -0.08 -1.26 -4.52 116.55 114.49 3it7 n ASP 154 Ca 0.00 1.01 0.11 0.00 -1.51 0.00 0.00 54.79 54.40 3it7 n ASP 154 Cb 0.29 -1.48 0.52 0.00 2.34 0.00 0.00 41.12 42.79 3it7 n ASP 154 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3it7 h ARG 156 N 0.00 0.00 0.00 0.00 3.08 -2.02 -3.40 114.38 112.03 3it7 h ARG 156 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3it7 h ARG 156 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3it7 h ARG 156 CO 0.00 0.00 -1.21 0.54 -1.07 0.00 0.00 179.97 178.23 3it7 n ARG 157 N -2.41 0.08 -3.86 0.04 1.74 -0.38 -5.00 116.66 106.87 3it7 n ARG 157 Ca 0.05 0.04 -0.36 0.00 -0.77 0.00 0.00 57.85 56.81 3it7 n ARG 157 Cb 0.43 -0.64 -0.12 0.00 -1.02 0.00 0.00 32.46 31.12 3it7 n ARG 157 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3it7 s TYR 158 N -2.07 3.14 0.03 -1.55 5.04 0.82 -4.10 117.35 118.66 3it7 s TYR 158 Ca -0.05 -0.21 -0.27 0.00 -2.44 0.00 0.00 57.07 54.09 3it7 s TYR 158 Cb 0.02 -2.19 0.09 0.00 0.35 0.00 0.00 41.96 40.24 3it7 s TYR 158 CO 0.07 -0.16 0.82 1.52 -1.34 0.00 0.00 175.55 176.45 3it7 s TYR 159 N 1.17 -0.40 -0.24 4.97 -0.85 -0.90 -4.11 117.35 117.00 3it7 s TYR 159 Ca 0.05 0.28 -0.11 0.00 -0.52 0.00 0.00 57.07 56.76 3it7 s TYR 159 Cb -0.14 0.54 -0.05 0.00 0.38 0.00 0.00 41.96 42.69 3it7 s TYR 159 CO 0.03 -0.61 0.20 -0.06 -1.52 0.00 0.00 175.55 173.60 3it7 s PHE 160 N -3.15 3.32 -0.24 -3.49 0.08 -0.12 -0.55 117.98 113.82 3it7 s PHE 160 Ca 0.03 0.28 -0.05 0.00 0.12 0.00 0.00 56.93 57.32 3it7 s PHE 160 Cb -0.01 -2.32 -0.00 0.00 -0.57 0.00 0.00 43.02 40.12 3it7 s PHE 160 CO -0.09 0.04 -0.00 -0.47 -0.10 0.00 0.00 175.22 174.59 3it7 s TYR 161 N 1.15 3.03 -0.76 0.36 5.04 0.51 -0.19 117.35 126.49 3it7 s TYR 161 Ca 0.09 -0.97 -0.22 0.00 -2.44 0.00 0.00 57.07 53.54 3it7 s TYR 161 Cb -0.14 -2.15 0.08 0.00 0.35 0.00 0.00 41.96 40.11 3it7 s TYR 161 CO 0.05 -0.56 1.06 1.21 -1.34 0.00 0.00 175.55 175.98 3it7 s ASN 162 N 1.48 6.32 0.44 4.32 3.84 -0.17 -0.19 114.94 130.97 3it7 s ASN 162 Ca 0.04 -1.27 0.23 0.00 0.21 0.00 0.00 52.86 52.07 3it7 s ASN 162 Cb -0.15 -2.43 0.94 0.00 -0.55 0.00 0.00 41.25 39.05 3it7 s ASN 162 CO -0.01 -1.37 1.84 0.06 -2.79 0.00 0.00 177.10 174.83 3it7 h GLN 163 N 9.42 0.00 0.00 0.43 -0.00 -1.85 0.57 115.11 123.68 3it7 h GLN 163 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.52 3it7 h GLN 163 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.53 3it7 h GLN 163 CO 1.19 0.25 0.00 -1.13 -0.00 0.00 0.00 178.83 179.14 3it7 n SER 164 N -3.49 0.00 0.00 0.06 3.41 -1.26 -3.54 113.62 108.81 3it7 n SER 164 Ca -0.00 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 3it7 n SER 164 Cb 0.42 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3it7 n SER 164 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3it7 n ALA 165 N -1.26 0.91 -1.32 7.33 0.00 -0.91 -5.02 120.51 120.24 3it7 n ALA 165 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 3it7 n ALA 165 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 3it7 n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3it7 n GLY 166 N 0.64 1.22 3.87 0.00 0.00 0.20 -5.01 105.19 106.11 3it7 n GLY 166 Ca 0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 3it7 n GLY 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3it7 s THR 167 N -2.38 5.19 -0.15 2.61 -4.23 -0.98 -4.93 115.64 110.76 3it7 s THR 167 Ca 0.00 0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 60.80 3it7 s THR 167 Cb 0.00 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 70.20 3it7 s THR 167 CO 0.00 0.32 -0.05 -0.89 -0.54 0.00 0.00 174.62 173.46 3it7 s THR 168 N -1.35 3.75 -0.22 3.99 2.01 -1.26 -1.00 115.64 121.54 3it7 s THR 168 Ca 0.31 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.90 3it7 s THR 168 Cb -0.14 -2.63 0.03 0.00 0.01 0.00 0.00 72.50 69.78 3it7 s THR 168 CO 0.17 0.50 -0.13 -1.00 -0.69 0.00 0.00 174.62 173.48 3it7 s HIS 169 N 0.32 3.01 0.47 4.92 3.76 0.73 -4.98 115.29 123.52 3it7 s HIS 169 Ca -0.05 -1.80 -0.01 0.00 -0.15 0.00 0.00 55.06 53.05 3it7 s HIS 169 Cb -0.14 -1.97 -0.00 0.00 1.11 0.00 0.00 32.58 31.57 3it7 s HIS 169 CO 0.03 -0.80 0.71 0.00 -0.85 0.00 0.00 174.74 173.83 3it7 n ALA 171 N -2.16 0.74 -0.50 0.00 0.00 -1.26 -2.99 120.51 114.34 3it7 n ALA 171 Ca 0.02 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3it7 n ALA 171 Cb 0.57 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3it7 n ALA 171 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3it7 n PHE 172 N -0.07 0.00 -2.91 0.00 3.01 0.75 -4.96 117.46 113.28 3it7 n PHE 172 Ca 0.07 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.16 3it7 n PHE 172 Cb 0.37 -0.63 -0.06 0.00 -0.01 0.00 0.00 39.48 39.15 3it7 n PHE 172 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3it7 s ARG 173 N -0.31 4.48 0.04 -1.08 1.81 -1.16 -4.84 118.95 117.89 3it7 s ARG 173 Ca 0.00 1.15 -0.34 0.00 -1.72 0.00 0.00 55.73 54.82 3it7 s ARG 173 Cb 0.00 -2.90 -0.13 0.00 -0.45 0.00 0.00 34.95 31.47 3it7 s ARG 173 CO 0.00 0.36 1.70 -2.30 -0.68 0.00 0.00 175.30 174.38 3it7 n PRO 174 N 0.76 2.11 -3.69 3.54 -0.02 -1.26 -4.39 135.00 132.05 3it7 n PRO 174 Ca -0.01 0.77 -0.39 0.00 -2.02 0.00 0.00 63.50 61.85 3it7 n PRO 174 Cb 0.50 -2.56 -0.12 0.00 -0.02 0.00 0.00 33.50 31.30 3it7 n PRO 174 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3it7 s LEU 175 N 2.28 4.61 0.18 2.45 2.96 0.38 -4.90 118.68 126.66 3it7 s LEU 175 Ca 0.85 -1.23 -0.30 0.00 -0.22 0.00 0.00 54.13 53.23 3it7 s LEU 175 Cb -0.70 -1.92 -0.08 0.00 0.50 0.00 0.00 46.19 43.98 3it7 s LEU 175 CO 0.45 -0.39 1.28 -0.47 -1.32 0.00 0.00 176.35 175.89 3it7 s TYR 176 N 1.42 3.31 -0.43 5.38 6.14 -1.26 -3.21 117.35 128.70 3it7 s TYR 176 Ca 0.00 1.26 -0.11 0.00 0.64 0.00 0.00 57.07 58.87 3it7 s TYR 176 Cb -0.20 -3.55 0.07 0.00 0.42 0.00 0.00 41.96 38.69 3it7 s TYR 176 CO 0.03 -1.70 0.29 1.21 0.64 0.00 0.00 175.55 176.02 3it7 s ASN 177 N 0.36 5.79 0.00 4.32 2.47 -0.53 -4.94 114.94 122.42 3it7 s ASN 177 Ca 0.56 -1.38 0.27 0.00 0.42 0.00 0.00 52.86 52.73 3it7 s ASN 177 Cb -0.35 -2.05 0.96 0.00 -1.45 0.00 0.00 41.25 38.36 3it7 s ASN 177 CO 0.37 -0.55 1.70 -0.81 -3.72 0.00 0.00 177.10 174.09 3it7 n PRO 178 N 5.01 0.75 0.00 0.43 -0.04 -1.26 -0.45 135.00 139.44 3it7 n PRO 178 Ca -0.11 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 3it7 n PRO 178 Cb 0.44 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3it7 n PRO 178 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3it7 n GLY 179 N 1.32 -0.43 3.78 0.55 0.00 -1.26 -4.87 105.19 104.29 3it7 n GLY 179 Ca 0.13 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 3it7 n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3it7 s LEU 180 N 0.00 3.89 -0.84 0.99 1.43 -1.26 -3.94 118.68 118.95 3it7 s LEU 180 Ca 0.00 2.06 -0.20 0.00 -1.03 0.00 0.00 54.13 54.96 3it7 s LEU 180 Cb 0.00 -4.46 0.11 0.00 0.03 0.00 0.00 46.19 41.87 3it7 s LEU 180 CO 0.00 -0.87 1.08 0.00 0.23 0.00 0.00 176.35 176.80 3it7 s ALA 181 N -1.81 3.26 0.00 4.21 0.00 -1.26 -4.86 121.76 121.29 3it7 s ALA 181 Ca 0.67 -2.45 0.00 0.00 0.00 0.00 0.00 51.96 50.18 3it7 s ALA 181 Cb -0.21 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 18.91 3it7 s ALA 181 CO 0.25 -2.94 0.00 1.28 0.00 0.00 0.00 175.76 174.35