#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncc s ILE 2 N 0.00 2.92 -0.42 5.09 -1.09 -1.26 -3.93 121.20 122.52 1ncc s ILE 2 Ca 0.00 0.89 0.03 0.00 -2.23 0.00 0.00 60.65 59.34 1ncc s ILE 2 Cb 0.00 -3.57 0.16 0.00 -1.58 0.00 0.00 42.46 37.48 1ncc s ILE 2 CO 0.00 0.19 0.32 -1.10 -1.23 0.00 0.00 174.94 173.13 1ncc s GLN 3 N -1.35 0.95 -0.01 2.79 -1.52 -1.04 -4.85 119.66 114.63 1ncc s GLN 3 Ca 0.50 -2.05 -0.28 0.00 -1.95 0.00 0.00 55.36 51.58 1ncc s GLN 3 Cb -0.38 -1.54 -0.04 0.00 -0.22 0.00 0.00 33.01 30.83 1ncc s GLN 3 CO 0.48 -1.35 0.89 -0.51 -0.25 0.00 0.00 175.29 174.55 1ncc s LEU 4 N 0.15 4.37 0.14 2.90 1.43 -1.26 -2.40 118.68 124.00 1ncc s LEU 4 Ca 0.30 1.53 0.08 0.00 -1.03 0.00 0.00 54.13 55.00 1ncc s LEU 4 Cb -0.02 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1ncc s LEU 4 CO -0.16 -0.19 -0.10 0.54 0.23 0.00 0.00 176.35 176.67 1ncc s VAL 5 N 0.82 3.27 0.23 -1.59 0.11 -1.00 -3.99 120.40 118.25 1ncc s VAL 5 Ca 0.47 -1.44 0.09 0.00 -2.93 0.00 0.00 61.98 58.17 1ncc s VAL 5 Cb -0.20 -2.57 -0.05 0.00 -1.53 0.00 0.00 36.38 32.03 1ncc s VAL 5 CO 0.25 0.02 -0.16 -1.10 -3.33 0.00 0.00 175.10 170.78 1ncc s GLN 6 N -2.47 1.44 0.98 1.54 -0.21 -1.26 -0.33 119.66 119.35 1ncc s GLN 6 Ca 0.23 -1.64 -0.12 0.00 0.02 0.00 0.00 55.36 53.85 1ncc s GLN 6 Cb -0.10 -1.33 0.18 0.00 1.00 0.00 0.00 33.01 32.76 1ncc s GLN 6 CO 0.14 0.23 1.08 -1.54 -2.12 0.00 0.00 175.29 173.09 1ncc s SER 7 N -3.35 2.62 0.92 5.90 1.04 -0.99 -4.94 113.70 114.90 1ncc s SER 7 Ca 0.24 1.52 -0.12 0.00 0.48 0.00 0.00 55.95 58.08 1ncc s SER 7 Cb -0.02 -2.19 0.14 0.00 0.10 0.00 0.00 66.02 64.05 1ncc s SER 7 CO 0.09 -3.18 1.09 -0.83 0.98 0.00 0.00 173.24 171.40 1ncc s GLY 8 N -3.12 1.61 -0.37 7.32 0.00 -1.26 -4.57 107.32 106.94 1ncc s GLY 8 Ca 0.65 -0.05 -0.25 0.00 0.00 0.00 0.00 44.72 45.08 1ncc s GLY 8 CO 0.59 0.45 0.86 2.56 0.00 0.00 0.00 173.10 177.57 1ncc s PRO 9 N -4.89 3.79 0.43 2.90 0.04 -1.26 -4.70 135.00 131.31 1ncc s PRO 9 Ca 0.64 0.45 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1ncc s PRO 9 Cb -0.19 -3.81 -0.01 0.00 0.04 0.00 0.00 34.50 30.53 1ncc s PRO 9 CO 0.57 -0.91 0.65 -1.21 0.04 0.00 0.00 177.00 176.14 1ncc s GLU 10 N 3.31 3.16 -0.21 4.56 2.02 -0.43 -4.88 118.70 126.25 1ncc s GLU 10 Ca 0.35 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 54.90 1ncc s GLU 10 Cb -0.12 -2.58 0.04 0.00 0.10 0.00 0.00 34.13 31.57 1ncc s GLU 10 CO 0.18 -0.18 -0.12 -1.17 0.02 0.00 0.00 175.26 173.99 1ncc s LEU 11 N -4.51 2.46 -0.03 1.80 2.96 -1.26 -0.77 118.68 119.33 1ncc s LEU 11 Ca 0.47 -0.94 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 1ncc s LEU 11 Cb -0.10 -1.32 0.01 0.00 0.50 0.00 0.00 46.19 45.28 1ncc s LEU 11 CO 0.38 -0.13 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.67 1ncc s LYS 12 N 1.33 0.83 0.40 1.98 -0.14 -0.12 -4.97 119.74 119.05 1ncc s LYS 12 Ca -0.02 -0.18 -0.17 0.00 -1.36 0.00 0.00 55.97 54.25 1ncc s LYS 12 Cb -0.16 -0.81 -0.09 0.00 -1.68 0.00 0.00 37.83 35.09 1ncc s LYS 12 CO -0.08 0.00 0.86 -1.59 -0.76 0.00 0.00 175.35 173.78 1ncc s LYS 13 N 0.56 4.05 -0.03 1.68 0.00 -1.23 -2.29 119.74 122.48 1ncc s LYS 13 Ca -0.08 0.86 -0.36 0.00 0.00 0.00 0.00 55.97 56.39 1ncc s LYS 13 Cb -0.11 -2.28 -0.18 0.00 0.00 0.00 0.00 37.83 35.25 1ncc s LYS 13 CO 0.00 -0.01 1.00 -2.30 0.00 0.00 0.00 175.35 174.04 1ncc n PRO 14 N -0.79 0.00 0.00 1.78 -0.02 -1.26 -2.33 135.00 132.38 1ncc n PRO 14 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1ncc n PRO 14 Cb 0.54 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 1ncc n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ncc n GLY 15 N 1.52 3.16 0.00 -1.23 0.00 0.70 -4.90 105.19 104.45 1ncc n GLY 15 Ca 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1ncc n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ncc n GLU 16 N 0.00 -1.49 -3.82 1.61 1.02 -0.98 -2.63 120.64 114.35 1ncc n GLU 16 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1ncc n GLU 16 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 1ncc n GLU 16 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ncc s THR 17 N -0.84 -0.00 0.03 2.62 2.01 -1.26 -1.11 115.64 117.10 1ncc s THR 17 Ca 0.00 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1ncc s THR 17 Cb 0.00 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 1ncc s THR 17 CO 0.00 0.00 -0.18 0.54 -0.69 0.00 0.00 174.62 174.29 1ncc s VAL 18 N 0.11 1.46 -0.23 3.82 0.11 -0.09 -4.97 120.40 120.61 1ncc s VAL 18 Ca -0.00 -1.05 -0.10 0.00 -2.93 0.00 0.00 61.98 57.90 1ncc s VAL 18 Cb -0.01 -1.27 -0.05 0.00 -1.53 0.00 0.00 36.38 33.52 1ncc s VAL 18 CO -0.00 0.19 0.15 -0.75 -3.33 0.00 0.00 175.10 171.36 1ncc s LYS 19 N -1.00 4.05 -0.13 1.54 2.47 -1.26 -3.00 119.74 122.42 1ncc s LYS 19 Ca 0.06 -0.28 0.03 0.00 -1.56 0.00 0.00 55.97 54.21 1ncc s LYS 19 Cb -0.08 -3.50 0.00 0.00 -1.46 0.00 0.00 37.83 32.79 1ncc s LYS 19 CO 0.01 0.08 -0.21 0.42 0.16 0.00 0.00 175.35 175.80 1ncc s ILE 20 N 1.00 2.17 0.16 5.43 1.01 -0.60 -4.98 121.20 125.39 1ncc s ILE 20 Ca 0.07 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 59.85 1ncc s ILE 20 Cb -0.13 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1ncc s ILE 20 CO 0.04 0.55 -0.05 -0.44 0.00 0.00 0.00 174.94 175.03 1ncc s SER 21 N 0.65 4.51 -0.06 3.58 0.01 -1.26 -0.42 113.70 120.71 1ncc s SER 21 Ca -0.11 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.70 1ncc s SER 21 Cb -0.16 -0.87 0.02 0.00 0.21 0.00 0.00 66.02 65.22 1ncc s SER 21 CO 0.02 0.11 -0.06 0.00 0.41 0.00 0.00 173.24 173.72 1ncc s LYS 23 N 1.16 2.43 -0.73 0.00 1.02 0.55 -1.16 119.74 123.01 1ncc s LYS 23 Ca -0.07 -0.66 -0.26 0.00 0.02 0.00 0.00 55.97 55.01 1ncc s LYS 23 Cb -0.14 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 1ncc s LYS 23 CO -0.01 -0.25 1.63 0.00 -0.92 0.00 0.00 175.35 175.79 1ncc s ALA 24 N 1.43 2.36 0.61 5.17 0.00 -0.35 -2.36 121.76 128.62 1ncc s ALA 24 Ca 0.04 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 1ncc s ALA 24 Cb -0.13 -4.34 0.05 0.00 0.00 0.00 0.00 23.12 18.70 1ncc s ALA 24 CO -0.11 -3.77 0.86 -1.12 0.00 0.00 0.00 175.76 171.63 1ncc s SER 25 N 6.29 5.05 0.00 0.00 0.01 -1.01 -4.76 113.70 119.29 1ncc s SER 25 Ca 0.54 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1ncc s SER 25 Cb -0.09 -0.86 0.00 0.00 0.21 0.00 0.00 66.02 65.28 1ncc s SER 25 CO 0.14 -1.34 0.00 0.61 0.41 0.00 0.00 173.24 173.05 1ncc n GLY 26 N -2.56 2.02 3.84 3.44 0.00 -1.25 -2.50 105.19 108.18 1ncc n GLY 26 Ca 0.09 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 1ncc n GLY 26 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ncc n TYR 27 N 0.00 -1.90 -3.05 1.61 4.11 -1.26 -4.75 117.16 111.92 1ncc n TYR 27 Ca 0.00 -2.14 -0.44 0.00 -0.00 0.00 0.00 57.90 55.32 1ncc n TYR 27 Cb 0.00 -0.52 -0.05 0.00 -0.00 0.00 0.00 39.34 38.77 1ncc n TYR 27 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1ncc s THR 28 N -2.59 4.71 0.20 -3.48 2.01 -1.26 -4.94 115.64 110.29 1ncc s THR 28 Ca 0.53 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.02 1ncc s THR 28 Cb -0.04 -4.45 0.28 0.00 0.01 0.00 0.00 72.50 68.30 1ncc s THR 28 CO 0.34 -1.05 1.03 0.33 -0.69 0.00 0.00 174.62 174.58 1ncc n PHE 29 N 6.63 0.41 0.25 4.92 7.35 -1.26 -1.12 117.46 134.64 1ncc n PHE 29 Ca -0.06 0.79 0.11 0.00 -0.76 0.00 0.00 57.45 57.53 1ncc n PHE 29 Cb 0.45 -0.99 0.64 0.00 0.35 0.00 0.00 39.48 39.93 1ncc n PHE 29 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1ncc h THR 30 N 0.00 0.67 -0.69 -2.13 2.02 -1.93 -2.86 112.91 107.99 1ncc h THR 30 Ca 0.40 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1ncc h THR 30 Cb 0.81 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1ncc h THR 30 CO -0.62 0.16 0.00 -3.20 0.37 0.00 0.00 175.52 172.23 1ncc n ASN 31 N -3.69 4.41 -3.61 4.18 5.15 -0.28 -4.28 115.26 117.15 1ncc n ASN 31 Ca -0.02 -2.24 -0.18 0.00 -0.60 0.00 0.00 54.58 51.54 1ncc n ASN 31 Cb 0.28 -0.54 -0.15 0.00 -0.53 0.00 0.00 39.78 38.84 1ncc n ASN 31 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1ncc s TYR 32 N -1.46 -0.16 0.37 1.20 1.51 -1.08 -5.01 117.35 112.72 1ncc s TYR 32 Ca 0.50 0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 56.69 1ncc s TYR 32 Cb 0.30 -0.35 -0.09 0.00 -0.11 0.00 0.00 41.96 41.70 1ncc s TYR 32 CO 0.29 -0.40 1.01 0.20 -1.11 0.00 0.00 175.55 175.54 1ncc s GLY 33 N 2.28 2.75 0.05 0.71 0.00 -1.25 -4.67 107.32 107.20 1ncc s GLY 33 Ca 0.04 0.63 -0.29 0.00 0.00 0.00 0.00 44.72 45.10 1ncc s GLY 33 CO -0.08 1.06 0.91 1.06 0.00 0.00 0.00 173.10 176.05 1ncc s MET 34 N -2.33 4.60 -0.05 2.90 -1.94 -0.45 -0.36 119.30 121.67 1ncc s MET 34 Ca 0.55 1.33 -0.01 0.00 -1.71 0.00 0.00 55.69 55.85 1ncc s MET 34 Cb -0.20 -3.40 -0.03 0.00 2.01 0.00 0.00 34.83 33.20 1ncc s MET 34 CO 0.26 0.14 0.01 -0.80 -0.01 0.00 0.00 175.02 174.62 1ncc s ASN 35 N 0.34 5.27 -0.16 3.03 -0.87 0.66 -0.41 114.94 122.81 1ncc s ASN 35 Ca 0.46 0.10 0.00 0.00 -1.57 0.00 0.00 52.86 51.86 1ncc s ASN 35 Cb -0.22 -1.46 0.03 0.00 -0.02 0.00 0.00 41.25 39.58 1ncc s ASN 35 CO 0.27 0.33 -0.12 0.26 -2.57 0.00 0.00 177.10 175.28 1ncc s TRP 36 N -0.99 2.14 -0.10 2.20 0.52 -0.73 -0.37 118.94 121.61 1ncc s TRP 36 Ca 0.16 -1.27 0.00 0.00 0.02 0.00 0.00 56.10 55.01 1ncc s TRP 36 Cb -0.11 -1.55 -0.02 0.00 -1.15 0.00 0.00 33.47 30.63 1ncc s TRP 36 CO 0.06 -0.67 -0.09 0.08 0.02 0.00 0.00 176.95 176.35 1ncc s VAL 37 N 1.49 3.43 -0.06 4.03 1.01 -0.62 0.17 120.40 129.86 1ncc s VAL 37 Ca 0.03 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1ncc s VAL 37 Cb -0.14 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1ncc s VAL 37 CO -0.09 0.55 0.08 -0.75 0.00 0.00 0.00 175.10 174.88 1ncc s LYS 38 N -0.22 3.15 -0.22 2.72 2.20 0.51 -0.28 119.74 127.60 1ncc s LYS 38 Ca 0.02 -0.36 -0.03 0.00 -0.36 0.00 0.00 55.97 55.25 1ncc s LYS 38 Cb -0.13 -2.93 0.07 0.00 -1.51 0.00 0.00 37.83 33.32 1ncc s LYS 38 CO 0.03 0.70 0.05 -1.14 -0.36 0.00 0.00 175.35 174.63 1ncc s GLN 39 N -1.28 0.65 0.65 4.03 0.74 -0.02 -0.61 119.66 123.82 1ncc s GLN 39 Ca 0.18 -0.55 -0.08 0.00 0.05 0.00 0.00 55.36 54.96 1ncc s GLN 39 Cb -0.12 -2.04 0.02 0.00 1.10 0.00 0.00 33.01 31.97 1ncc s GLN 39 CO 0.08 -0.72 0.99 0.00 -0.55 0.00 0.00 175.29 175.08 1ncc s ALA 40 N 1.83 3.13 -1.23 1.58 0.00 -1.26 -1.07 121.76 124.73 1ncc s ALA 40 Ca 0.01 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.19 1ncc s ALA 40 Cb -0.17 -2.75 0.09 0.00 0.00 0.00 0.00 23.12 20.29 1ncc s ALA 40 CO -0.13 -1.00 1.62 -2.14 0.00 0.00 0.00 175.76 174.12 1ncc s PRO 41 N -5.16 3.94 0.00 0.00 0.02 -1.26 -4.49 135.00 128.04 1ncc s PRO 41 Ca 0.56 -1.97 0.00 0.00 0.02 0.00 0.00 61.00 59.61 1ncc s PRO 41 Cb -0.11 -5.40 0.00 0.00 0.02 0.00 0.00 34.50 29.01 1ncc s PRO 41 CO 0.47 -2.14 0.00 0.41 -0.33 0.00 0.00 177.00 175.41 1ncc n GLY 42 N 5.38 1.06 0.27 0.52 0.00 -1.26 -5.05 105.19 106.11 1ncc n GLY 42 Ca 0.44 0.41 -0.07 0.00 0.00 0.00 0.00 46.02 46.80 1ncc n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ncc n LYS 43 N 0.00 -0.28 0.00 1.61 4.01 -1.26 -4.97 118.16 117.27 1ncc n LYS 43 Ca 0.00 1.04 0.00 0.00 -0.51 0.00 0.00 58.31 58.84 1ncc n LYS 43 Cb 0.00 -1.53 0.00 0.00 -0.51 0.00 0.00 35.03 32.99 1ncc n LYS 43 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ncc n GLY 44 N -1.16 0.72 3.76 0.72 0.00 -1.26 -5.10 105.19 102.87 1ncc n GLY 44 Ca 0.01 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 1ncc n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ncc s LEU 45 N 0.00 4.13 -0.02 0.99 1.43 -1.26 -4.01 118.68 119.94 1ncc s LEU 45 Ca 0.00 0.28 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 1ncc s LEU 45 Cb 0.00 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1ncc s LEU 45 CO 0.00 0.29 -0.14 -0.75 0.23 0.00 0.00 176.35 175.98 1ncc s LYS 46 N -0.30 1.22 -0.15 1.70 2.20 0.22 -4.95 119.74 119.67 1ncc s LYS 46 Ca 0.10 -0.50 -0.18 0.00 -0.36 0.00 0.00 55.97 55.03 1ncc s LYS 46 Cb -0.12 -1.16 -0.04 0.00 -1.51 0.00 0.00 37.83 35.01 1ncc s LYS 46 CO 0.01 0.28 0.49 -0.46 -0.36 0.00 0.00 175.35 175.32 1ncc s TRP 47 N -0.24 3.46 -0.37 4.03 -0.00 -1.26 -0.36 118.94 124.19 1ncc s TRP 47 Ca 0.04 0.84 0.22 0.00 -0.00 0.00 0.00 56.10 57.20 1ncc s TRP 47 Cb -0.07 -2.60 -0.13 0.00 -0.00 0.00 0.00 33.47 30.68 1ncc s TRP 47 CO -0.00 0.06 0.82 -1.33 -0.00 0.00 0.00 176.95 176.50 1ncc n MET 48 N 4.11 0.45 0.00 5.86 2.81 0.13 -4.63 117.12 125.84 1ncc n MET 48 Ca -0.06 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 1ncc n MET 48 Cb 0.51 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1ncc n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ncc n GLY 49 N 1.31 1.01 3.53 3.03 0.00 -1.25 -0.63 105.19 112.19 1ncc n GLY 49 Ca -0.00 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 43.80 1ncc n GLY 49 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ncc s TRP 50 N -1.10 2.02 -0.12 1.61 -0.00 -0.94 -1.77 118.94 118.64 1ncc s TRP 50 Ca 0.00 -0.97 -0.05 0.00 -0.00 0.00 0.00 56.10 55.08 1ncc s TRP 50 Cb 0.00 -1.39 0.06 0.00 -0.00 0.00 0.00 33.47 32.14 1ncc s TRP 50 CO 0.00 0.05 0.26 -1.50 -0.00 0.00 0.00 176.95 175.77 1ncc s ILE 51 N -3.12 -0.27 -0.83 5.86 1.10 0.46 -2.47 121.20 121.93 1ncc s ILE 51 Ca 0.30 0.22 -0.25 0.00 -0.51 0.00 0.00 60.65 60.41 1ncc s ILE 51 Cb 0.07 -0.43 0.03 0.00 0.15 0.00 0.00 42.46 42.28 1ncc s ILE 51 CO 0.14 0.09 1.43 0.21 -2.11 0.00 0.00 174.94 174.70 1ncc s ASN 52 N 1.96 6.14 0.00 4.50 3.84 -0.14 -1.34 114.94 129.89 1ncc s ASN 52 Ca -0.03 -0.74 0.00 0.00 0.21 0.00 0.00 52.86 52.30 1ncc s ASN 52 Cb -0.11 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.03 1ncc s ASN 52 CO -0.09 -1.83 0.78 0.35 -2.79 0.00 0.00 177.10 173.53 1ncc n THR 52 N 6.71 0.78 0.06 -5.21 -2.24 -1.26 -0.08 114.28 113.04 1ncc n THR 52 Ca 0.17 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1ncc n THR 52 Cb 0.50 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 1ncc n THR 52 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ncc n ASN 53 N 1.31 0.73 0.01 3.42 2.85 -1.26 -3.97 115.26 118.35 1ncc n ASN 53 Ca 0.00 0.17 0.09 0.00 -0.11 0.00 0.00 54.58 54.73 1ncc n ASN 53 Cb 0.25 -0.17 -0.13 0.00 1.24 0.00 0.00 39.78 40.98 1ncc n ASN 53 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1ncc n THR 54 N -3.40 0.33 -0.26 -0.44 -2.24 -1.16 -4.99 114.28 102.13 1ncc n THR 54 Ca 0.00 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1ncc n THR 54 Cb 0.07 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1ncc n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ncc n GLY 55 N 1.30 0.72 3.68 3.38 0.00 0.89 -5.04 105.19 110.11 1ncc n GLY 55 Ca -0.06 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.45 1ncc n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ncc n GLU 56 N -2.09 1.75 -4.21 1.61 -0.58 -1.24 -4.63 120.64 111.25 1ncc n GLU 56 Ca 0.00 0.64 -0.31 0.00 -0.42 0.00 0.00 57.16 57.07 1ncc n GLU 56 Cb 0.00 -2.41 -0.09 0.00 -0.57 0.00 0.00 31.44 28.38 1ncc n GLU 56 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1ncc s PRO 57 N 3.14 2.60 -0.02 3.49 0.04 -1.26 -0.96 135.00 142.03 1ncc s PRO 57 Ca 0.92 -0.77 0.03 0.00 0.04 0.00 0.00 61.00 61.22 1ncc s PRO 57 Cb -0.83 -2.56 -0.00 0.00 0.04 0.00 0.00 34.50 31.14 1ncc s PRO 57 CO 0.54 0.57 -0.11 0.99 0.04 0.00 0.00 177.00 179.03 1ncc s THR 58 N -1.21 0.89 -0.00 1.26 2.01 -1.03 -4.97 115.64 112.59 1ncc s THR 58 Ca 0.23 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 61.83 1ncc s THR 58 Cb -0.12 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 1ncc s THR 58 CO 0.15 0.26 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.88 1ncc s TYR 59 N -0.01 1.37 0.31 4.92 1.51 -1.26 -2.21 117.35 121.98 1ncc s TYR 59 Ca -0.00 -0.28 -0.28 0.00 -1.01 0.00 0.00 57.07 55.50 1ncc s TYR 59 Cb -0.07 -0.87 -0.09 0.00 -0.11 0.00 0.00 41.96 40.82 1ncc s TYR 59 CO 0.00 -0.01 1.08 0.20 -1.11 0.00 0.00 175.55 175.72 1ncc s GLY 60 N -0.51 3.00 0.15 0.71 0.00 0.20 -4.81 107.32 106.05 1ncc s GLY 60 Ca 0.05 0.85 -0.15 0.00 0.00 0.00 0.00 44.72 45.47 1ncc s GLY 60 CO -0.00 1.41 1.10 1.18 0.00 0.00 0.00 173.10 176.79 1ncc n GLU 61 N 0.91 -0.21 0.00 2.90 4.71 -1.26 0.35 120.64 128.04 1ncc n GLU 61 Ca 0.00 1.09 0.00 0.00 -0.01 0.00 0.00 57.16 58.24 1ncc n GLU 61 Cb 0.46 -1.61 0.00 0.00 -1.01 0.00 0.00 31.44 29.28 1ncc n GLU 61 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1ncc n GLU 62 N -5.00 0.00 0.00 3.49 2.13 -1.26 -2.02 120.64 117.98 1ncc n GLU 62 Ca 0.06 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1ncc n GLU 62 Cb 0.26 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.45 1ncc n GLU 62 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1ncc n PHE 63 N -1.00 0.00 -1.70 4.31 3.72 0.16 -4.98 117.46 117.97 1ncc n PHE 63 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1ncc n PHE 63 Cb 0.01 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.52 1ncc n PHE 63 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1ncc n LYS 64 N -1.12 2.81 0.00 -1.08 5.02 -0.86 -3.31 118.16 119.63 1ncc n LYS 64 Ca 0.00 1.02 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 1ncc n LYS 64 Cb 0.00 -2.91 0.00 0.00 -0.02 0.00 0.00 35.03 32.10 1ncc n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ncc n GLY 65 N 4.18 2.89 0.01 0.72 0.00 -1.26 -4.73 105.19 107.00 1ncc n GLY 65 Ca 0.17 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.57 1ncc n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ncc n ARG 66 N 0.00 0.08 -4.06 1.61 1.74 -1.24 -4.88 116.66 109.91 1ncc n ARG 66 Ca 0.00 0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.75 1ncc n ARG 66 Cb 0.00 -1.54 -0.07 0.00 -1.02 0.00 0.00 32.46 29.84 1ncc n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ncc s PHE 67 N -3.05 3.39 -0.22 -1.55 0.08 -1.21 -4.41 117.98 111.01 1ncc s PHE 67 Ca 0.09 0.31 -0.04 0.00 0.12 0.00 0.00 56.93 57.40 1ncc s PHE 67 Cb 0.16 -1.81 0.08 0.00 -0.57 0.00 0.00 43.02 40.89 1ncc s PHE 67 CO 0.74 0.60 0.13 0.00 -0.10 0.00 0.00 175.22 176.59 1ncc s ALA 68 N -1.13 0.34 0.15 5.36 0.00 -0.49 -4.94 121.76 121.06 1ncc s ALA 68 Ca 0.20 -0.48 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 1ncc s ALA 68 Cb -0.12 -1.23 -0.07 0.00 0.00 0.00 0.00 23.12 21.70 1ncc s ALA 68 CO 0.11 -1.36 1.22 -0.06 0.00 0.00 0.00 175.76 175.66 1ncc s PHE 69 N 2.16 3.41 0.22 0.00 0.08 -1.26 -2.45 117.98 120.15 1ncc s PHE 69 Ca 0.05 1.35 -0.09 0.00 0.12 0.00 0.00 56.93 58.36 1ncc s PHE 69 Cb -0.16 -3.46 -0.02 0.00 -0.57 0.00 0.00 43.02 38.82 1ncc s PHE 69 CO -0.20 -1.35 0.35 -1.12 -0.10 0.00 0.00 175.22 172.81 1ncc s SER 70 N 0.45 -0.01 0.05 1.36 0.01 -0.14 -4.98 113.70 110.43 1ncc s SER 70 Ca 0.55 -1.06 -0.02 0.00 1.31 0.00 0.00 55.95 56.74 1ncc s SER 70 Cb -0.32 0.51 -0.03 0.00 0.21 0.00 0.00 66.02 66.38 1ncc s SER 70 CO 0.34 -1.02 -0.01 -1.48 0.41 0.00 0.00 173.24 171.48 1ncc s LEU 71 N -3.05 2.34 -0.61 2.44 0.05 -1.26 -0.12 118.68 118.47 1ncc s LEU 71 Ca 0.27 -0.85 0.06 0.00 0.05 0.00 0.00 54.13 53.66 1ncc s LEU 71 Cb 0.02 0.25 0.25 0.00 -2.05 0.00 0.00 46.19 44.66 1ncc s LEU 71 CO 0.09 -0.54 0.73 -0.62 -0.55 0.00 0.00 176.35 175.45 1ncc n GLU 72 N 0.44 2.32 -0.13 1.48 1.02 -0.27 -4.97 120.64 120.53 1ncc n GLU 72 Ca -0.16 -4.49 0.01 0.00 -0.02 0.00 0.00 57.16 52.50 1ncc n GLU 72 Cb 0.60 -2.12 0.04 0.00 -0.02 0.00 0.00 31.44 29.93 1ncc n GLU 72 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ncc n THR 73 N 0.88 -0.16 -0.26 2.62 -2.24 -1.26 0.09 114.28 113.96 1ncc n THR 73 Ca 0.29 0.79 -0.02 0.00 -2.27 0.00 0.00 64.05 62.84 1ncc n THR 73 Cb 0.43 -1.08 0.10 0.00 -2.10 0.00 0.00 70.33 67.67 1ncc n THR 73 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ncc h SER 74 N 0.00 0.70 0.31 3.42 0.02 -1.93 -0.04 113.55 116.03 1ncc h SER 74 Ca 0.15 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1ncc h SER 74 Cb 0.24 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1ncc h SER 74 CO -0.35 0.47 -0.11 0.00 -1.14 0.00 0.00 176.83 175.70 1ncc n ALA 75 N -2.33 2.76 -3.45 3.77 0.00 0.11 -4.89 120.51 116.49 1ncc n ALA 75 Ca 0.09 -0.28 -0.24 0.00 0.00 0.00 0.00 53.44 53.00 1ncc n ALA 75 Cb 0.13 -1.32 0.06 0.00 0.00 0.00 0.00 19.45 18.32 1ncc n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ncc n SER 76 N -0.86 -6.14 -4.59 0.00 7.64 -0.03 -4.56 113.62 105.08 1ncc n SER 76 Ca 0.15 -0.48 -0.31 0.00 1.01 0.00 0.00 58.87 59.24 1ncc n SER 76 Cb 0.28 -4.88 -0.10 0.00 -1.01 0.00 0.00 64.21 58.50 1ncc n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ncc s THR 77 N -3.27 3.52 0.07 0.44 2.01 -0.96 -1.21 115.64 116.24 1ncc s THR 77 Ca 0.51 -1.03 0.08 0.00 0.31 0.00 0.00 61.69 61.56 1ncc s THR 77 Cb -0.23 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1ncc s THR 77 CO 0.63 0.24 -0.22 0.00 -0.69 0.00 0.00 174.62 174.58 1ncc s ALA 78 N -1.12 1.91 0.04 7.40 0.00 -0.31 -1.11 121.76 128.57 1ncc s ALA 78 Ca 0.20 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1ncc s ALA 78 Cb -0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1ncc s ALA 78 CO 0.11 0.42 -0.06 -0.80 0.00 0.00 0.00 175.76 175.43 1ncc s ASN 79 N -1.51 0.63 0.18 0.00 -0.87 0.83 -0.02 114.94 114.17 1ncc s ASN 79 Ca 0.08 -0.60 0.09 0.00 -1.57 0.00 0.00 52.86 50.86 1ncc s ASN 79 Cb -0.09 0.08 -0.04 0.00 -0.02 0.00 0.00 41.25 41.17 1ncc s ASN 79 CO 0.03 -0.29 -0.10 -0.22 -2.57 0.00 0.00 177.10 173.95 1ncc s LEU 80 N -1.76 2.97 -0.14 0.60 2.96 0.44 -0.97 118.68 122.78 1ncc s LEU 80 Ca -0.09 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.19 1ncc s LEU 80 Cb -0.07 -1.65 0.07 0.00 0.50 0.00 0.00 46.19 45.03 1ncc s LEU 80 CO -0.01 0.10 0.30 -1.58 -1.32 0.00 0.00 176.35 173.84 1ncc s GLN 81 N -2.82 0.19 0.34 1.98 0.74 -1.02 -1.56 119.66 117.51 1ncc s GLN 81 Ca 0.25 0.81 0.08 0.00 0.05 0.00 0.00 55.36 56.55 1ncc s GLN 81 Cb -0.09 0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.03 1ncc s GLN 81 CO 0.15 -0.27 0.14 0.42 -0.55 0.00 0.00 175.29 175.17 1ncc s ILE 82 N 2.41 2.98 0.00 -2.34 1.01 -1.16 -1.39 121.20 122.71 1ncc s ILE 82 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 60.65 58.94 1ncc s ILE 82 Cb -0.12 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.38 1ncc s ILE 82 CO -0.10 -0.18 0.00 -3.20 0.00 0.00 0.00 174.94 171.47 1ncc n ASN 82 N -1.14 0.00 -4.68 3.58 5.15 -0.66 -0.91 115.26 116.60 1ncc n ASN 82 Ca -0.03 0.00 -0.46 0.00 -0.60 0.00 0.00 54.58 53.49 1ncc n ASN 82 Cb 0.61 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.82 1ncc n ASN 82 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ncc n LEU 82 N -0.03 3.36 -4.83 1.20 4.77 -0.26 -4.71 117.00 116.49 1ncc n LEU 82 Ca 0.00 1.05 -0.31 0.00 -0.03 0.00 0.00 56.01 56.72 1ncc n LEU 82 Cb 0.00 -1.45 -0.06 0.00 -2.33 0.00 0.00 43.42 39.59 1ncc n LEU 82 CO 0.00 -0.14 -0.22 -0.54 -1.33 0.00 0.00 177.39 175.16 1ncc s LYS 83 N 1.70 3.11 0.54 3.23 3.01 -1.26 -0.21 119.74 129.86 1ncc s LYS 83 Ca 0.81 -0.58 0.36 0.00 -1.01 0.00 0.00 55.97 55.55 1ncc s LYS 83 Cb -0.64 -2.86 1.73 0.00 -1.01 0.00 0.00 37.83 35.05 1ncc s LYS 83 CO 0.40 0.59 2.08 -2.95 0.51 0.00 0.00 175.35 175.97 1ncc h ASN 84 N 3.28 0.00 0.18 2.83 -1.07 -1.96 -0.94 115.58 117.89 1ncc h ASN 84 Ca -0.46 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.90 1ncc h ASN 84 Cb 1.16 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.41 1ncc h ASN 84 CO 0.69 0.00 -0.05 -0.33 0.07 0.00 0.00 177.43 177.82 1ncc h GLU 85 N 0.00 0.00 -0.03 4.14 5.08 -1.94 -2.39 114.58 119.44 1ncc h GLU 85 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ncc h GLU 85 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1ncc h GLU 85 CO 0.00 0.05 0.00 -0.25 -1.00 0.00 0.00 179.01 177.81 1ncc n ASP 86 N -3.64 0.36 -4.55 1.42 8.00 -0.36 -4.81 116.55 112.96 1ncc n ASP 86 Ca -0.02 -1.44 -0.14 0.00 0.71 0.00 0.00 54.79 53.90 1ncc n ASP 86 Cb 0.15 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.15 1ncc n ASP 86 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1ncc n THR 87 N -0.57 0.00 -2.98 -3.53 5.66 -0.90 -4.83 114.28 107.13 1ncc n THR 87 Ca 0.15 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 1ncc n THR 87 Cb 0.13 -1.83 0.00 0.00 -1.55 0.00 0.00 70.33 67.08 1ncc n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ncc n ALA 88 N 17.70 0.00 -3.64 1.79 0.00 -0.82 -4.79 120.51 130.76 1ncc n ALA 88 Ca 0.49 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.61 1ncc n ALA 88 Cb 0.41 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.69 1ncc n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ncc s THR 89 N -2.89 1.97 0.14 0.00 2.01 -0.24 -1.23 115.64 115.41 1ncc s THR 89 Ca 0.00 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.11 1ncc s THR 89 Cb 0.00 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1ncc s THR 89 CO 0.00 0.53 0.18 -0.36 -0.69 0.00 0.00 174.62 174.28 1ncc s PHE 90 N 0.81 3.27 0.05 4.92 0.40 -0.60 -0.84 117.98 126.00 1ncc s PHE 90 Ca -0.08 0.05 0.05 0.00 -0.60 0.00 0.00 56.93 56.35 1ncc s PHE 90 Cb -0.16 -1.59 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 1ncc s PHE 90 CO -0.01 0.52 -0.14 -0.06 0.70 0.00 0.00 175.22 176.23 1ncc s PHE 91 N -1.69 1.19 -0.17 0.36 0.08 0.62 -1.82 117.98 116.54 1ncc s PHE 91 Ca 0.32 -0.40 -0.03 0.00 0.12 0.00 0.00 56.93 56.94 1ncc s PHE 91 Cb -0.11 -0.69 -0.02 0.00 -0.57 0.00 0.00 43.02 41.63 1ncc s PHE 91 CO 0.25 0.04 -0.04 0.00 -0.10 0.00 0.00 175.22 175.37 1ncc s ALA 93 N 0.64 4.20 -0.09 0.00 0.00 0.50 -0.48 121.76 126.54 1ncc s ALA 93 Ca -0.03 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 50.67 1ncc s ALA 93 Cb -0.14 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1ncc s ALA 93 CO 0.02 -0.31 -0.20 0.50 0.00 0.00 0.00 175.76 175.77 1ncc s ARG 94 N -4.13 2.59 -0.16 0.00 3.52 -0.61 -0.25 118.95 119.91 1ncc s ARG 94 Ca 0.31 -0.73 -0.28 0.00 -0.13 0.00 0.00 55.73 54.90 1ncc s ARG 94 Cb -0.00 -2.00 -0.01 0.00 -1.56 0.00 0.00 34.95 31.37 1ncc s ARG 94 CO 0.19 0.14 0.95 0.20 -0.81 0.00 0.00 175.30 175.97 1ncc s GLY 95 N 0.42 2.10 0.24 8.12 0.00 0.51 -2.63 107.32 116.09 1ncc s GLY 95 Ca -0.17 0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.70 1ncc s GLY 95 CO 0.07 1.89 1.81 -2.09 0.00 0.00 0.00 173.10 174.78 1ncc h GLU 96 N 7.27 1.08 0.00 2.90 4.22 -1.58 -3.32 114.58 125.14 1ncc h GLU 96 Ca -0.27 -0.19 -0.59 0.00 0.08 0.00 0.00 59.36 58.38 1ncc h GLU 96 Cb 1.12 -0.18 -0.12 0.00 0.50 0.00 0.00 28.75 30.08 1ncc h GLU 96 CO 0.88 0.88 -0.44 -0.40 -2.18 0.00 0.00 179.01 177.75 1ncc n ASP 97 N -4.29 2.86 -4.68 1.04 5.75 -1.26 -4.96 116.55 111.02 1ncc n ASP 97 Ca 0.06 -3.05 -0.42 0.00 -0.01 0.00 0.00 54.79 51.37 1ncc n ASP 97 Cb 0.19 0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 40.71 1ncc n ASP 97 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1ncc s ASN 98 N -3.53 6.83 0.00 -1.12 2.47 -1.26 -2.40 114.94 115.93 1ncc s ASN 98 Ca 0.04 2.07 0.00 0.00 0.42 0.00 0.00 52.86 55.39 1ncc s ASN 98 Cb 0.00 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 1ncc s ASN 98 CO 0.03 -0.77 0.00 0.49 -3.72 0.00 0.00 177.10 173.13 1ncc n PHE 99 N 5.91 0.00 -1.01 0.43 3.01 -1.26 -4.64 117.46 119.90 1ncc n PHE 99 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.60 1ncc n PHE 99 Cb 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 1ncc n PHE 99 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ncc n GLY 100 N -0.86 0.52 0.09 1.37 0.00 -1.01 -4.78 105.19 100.51 1ncc n GLY 100 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1ncc n GLY 100 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ncc h SER 100 N 0.00 -0.07 -3.27 1.61 4.64 -1.84 -3.44 113.55 111.19 1ncc h SER 100 Ca 0.00 -0.36 -0.57 0.00 -0.47 0.00 0.00 61.79 60.39 1ncc h SER 100 Cb 0.52 0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.59 1ncc h SER 100 CO 0.00 0.59 -0.13 -0.76 -0.87 0.00 0.00 176.83 175.66 1ncc s LEU 100 N -8.58 4.34 -0.53 5.97 1.02 -1.26 -5.02 118.68 114.62 1ncc s LEU 100 Ca -0.09 1.00 0.04 0.00 0.02 0.00 0.00 54.13 55.10 1ncc s LEU 100 Cb -0.01 -3.20 0.13 0.00 0.02 0.00 0.00 46.19 43.14 1ncc s LEU 100 CO 0.31 0.12 0.28 -0.44 0.02 0.00 0.00 176.35 176.64 1ncc s SER 100 N -1.74 4.28 0.13 2.29 0.01 -1.26 -1.58 113.70 115.83 1ncc s SER 100 Ca 0.37 -3.06 -0.30 0.00 1.31 0.00 0.00 55.95 54.27 1ncc s SER 100 Cb -0.15 -1.58 -0.07 0.00 0.21 0.00 0.00 66.02 64.43 1ncc s SER 100 CO 0.19 -0.22 1.24 1.51 0.41 0.00 0.00 173.24 176.37 1ncc s ASP 101 N -0.34 7.02 0.22 2.44 -4.77 -1.08 -4.81 116.67 115.36 1ncc s ASP 101 Ca 0.18 2.19 0.00 0.00 -3.30 0.00 0.00 52.55 51.61 1ncc s ASP 101 Cb -0.24 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.00 1ncc s ASP 101 CO -0.02 -0.47 0.00 -1.22 0.70 0.00 0.00 175.17 174.17 1ncc n TYR 102 N 3.26 -3.82 -5.03 2.11 4.02 -1.26 -3.47 117.16 112.97 1ncc n TYR 102 Ca 0.07 2.16 -0.28 0.00 -0.01 0.00 0.00 57.90 59.85 1ncc n TYR 102 Cb 0.45 -3.27 -0.16 0.00 -0.02 0.00 0.00 39.34 36.34 1ncc n TYR 102 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1ncc s TRP 103 N -1.01 1.98 1.30 -0.72 0.52 -1.26 -1.57 118.94 118.17 1ncc s TRP 103 Ca 0.00 -0.50 -0.21 0.00 0.02 0.00 0.00 56.10 55.41 1ncc s TRP 103 Cb 0.00 -1.30 0.32 0.00 -1.15 0.00 0.00 33.47 31.35 1ncc s TRP 103 CO 0.00 -0.13 1.04 0.20 0.02 0.00 0.00 176.95 178.08 1ncc s GLY 104 N -0.22 1.52 0.00 0.98 0.00 0.37 -4.75 107.32 105.22 1ncc s GLY 104 Ca 0.01 -0.92 0.30 0.00 0.00 0.00 0.00 44.72 44.11 1ncc s GLY 104 CO 0.01 0.03 2.04 0.61 0.00 0.00 0.00 173.10 175.79 1ncc n GLN 105 N -5.14 0.75 0.00 2.90 0.00 -1.26 -4.79 117.38 109.85 1ncc n GLN 105 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 57.00 57.02 1ncc n GLN 105 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.34 1ncc n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ncc n GLY 106 N 1.18 1.70 3.20 2.61 0.00 -1.26 -5.04 105.19 107.59 1ncc n GLY 106 Ca 0.18 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 1ncc n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ncc s THR 107 N -2.19 -0.41 -0.20 2.61 2.01 -0.76 -4.66 115.64 112.04 1ncc s THR 107 Ca 0.00 0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.10 1ncc s THR 107 Cb 0.00 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 1ncc s THR 107 CO 0.00 0.07 0.05 -0.89 -0.69 0.00 0.00 174.62 173.16 1ncc s THR 108 N 2.18 4.50 -0.09 -0.82 2.01 -1.26 -1.56 115.64 120.60 1ncc s THR 108 Ca -0.04 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1ncc s THR 108 Cb -0.11 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 1ncc s THR 108 CO -0.12 0.42 -0.08 0.54 -0.69 0.00 0.00 174.62 174.69 1ncc s VAL 109 N 0.82 3.58 -0.24 3.82 0.11 -0.36 -1.31 120.40 126.83 1ncc s VAL 109 Ca 0.03 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 58.59 1ncc s VAL 109 Cb -0.14 -2.48 0.05 0.00 -1.53 0.00 0.00 36.38 32.29 1ncc s VAL 109 CO 0.02 0.57 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.35 1ncc s THR 110 N -0.49 2.08 -0.30 5.04 2.01 0.05 -1.94 115.64 122.10 1ncc s THR 110 Ca 0.07 -1.43 -0.22 0.00 0.31 0.00 0.00 61.69 60.42 1ncc s THR 110 Cb -0.12 -2.13 -0.00 0.00 0.01 0.00 0.00 72.50 70.26 1ncc s THR 110 CO 0.02 0.10 0.74 -0.69 -0.69 0.00 0.00 174.62 174.10 1ncc s VAL 111 N 1.18 4.85 -0.21 3.82 1.01 -1.25 -0.95 120.40 128.85 1ncc s VAL 111 Ca -0.05 1.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.76 1ncc s VAL 111 Cb -0.18 -4.09 0.14 0.00 0.00 0.00 0.00 36.38 32.25 1ncc s VAL 111 CO -0.07 -0.19 1.09 -0.55 0.00 0.00 0.00 175.10 175.38 1ncc s SER 112 N 1.59 -0.31 0.00 3.32 0.15 -0.97 -4.79 113.70 112.70 1ncc s SER 112 Ca 0.30 0.40 0.27 0.00 0.70 0.00 0.00 55.95 57.62 1ncc s SER 112 Cb -0.15 0.34 0.93 0.00 -1.71 0.00 0.00 66.02 65.43 1ncc s SER 112 CO 0.12 -0.24 1.68 -1.20 1.20 0.00 0.00 173.24 174.79 1ncc n SER 113 N 0.98 0.68 -4.77 5.45 7.64 -1.26 -3.51 113.62 118.83 1ncc n SER 113 Ca -0.09 -0.60 -0.33 0.00 1.01 0.00 0.00 58.87 58.86 1ncc n SER 113 Cb 0.58 0.04 0.06 0.00 -1.01 0.00 0.00 64.21 63.87 1ncc n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ncc s ALA 114 N -2.59 2.43 0.52 -0.43 0.00 -1.26 -5.01 121.76 115.42 1ncc s ALA 114 Ca 0.24 0.47 -0.19 0.00 0.00 0.00 0.00 51.96 52.48 1ncc s ALA 114 Cb 0.19 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 1ncc s ALA 114 CO 0.53 -1.38 1.04 -1.59 0.00 0.00 0.00 175.76 174.37 1ncc s LYS 115 N -4.29 3.65 -0.24 0.00 -2.85 -1.26 -5.01 119.74 109.74 1ncc s LYS 115 Ca 0.65 1.30 -0.25 0.00 -1.00 0.00 0.00 55.97 56.68 1ncc s LYS 115 Cb -0.20 -2.07 -0.00 0.00 -2.06 0.00 0.00 37.83 33.50 1ncc s LYS 115 CO 0.45 -0.55 0.85 0.95 0.10 0.00 0.00 175.35 177.14 1ncc s THR 116 N -2.15 4.83 -0.19 3.79 -4.23 -1.26 -4.67 115.64 111.76 1ncc s THR 116 Ca 0.66 1.61 0.01 0.00 -1.18 0.00 0.00 61.69 62.79 1ncc s THR 116 Cb -0.16 -4.13 0.03 0.00 1.34 0.00 0.00 72.50 69.57 1ncc s THR 116 CO 0.26 -0.08 -0.18 -0.89 -0.54 0.00 0.00 174.62 173.20 1ncc s THR 117 N 2.84 1.97 0.68 3.99 2.01 -1.09 -4.91 115.64 121.13 1ncc s THR 117 Ca 0.36 -0.97 -0.14 0.00 0.31 0.00 0.00 61.69 61.24 1ncc s THR 117 Cb -0.15 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.53 1ncc s THR 117 CO 0.07 0.44 1.10 0.00 -0.69 0.00 0.00 174.62 175.54 1ncc s ALA 118 N 1.31 2.45 0.63 7.40 0.00 -1.26 -0.51 121.76 131.78 1ncc s ALA 118 Ca 0.03 0.45 -0.09 0.00 0.00 0.00 0.00 51.96 52.35 1ncc s ALA 118 Cb -0.14 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 1ncc s ALA 118 CO -0.11 -1.35 0.98 -1.25 0.00 0.00 0.00 175.76 174.03 1ncc s PRO 119 N -4.33 3.09 -0.19 0.00 0.04 -1.26 -4.13 135.00 128.22 1ncc s PRO 119 Ca 0.65 0.33 -0.06 0.00 0.04 0.00 0.00 61.00 61.96 1ncc s PRO 119 Cb -0.19 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1ncc s PRO 119 CO 0.45 -0.74 0.03 0.45 0.04 0.00 0.00 177.00 177.22 1ncc s SER 120 N -4.28 5.15 -0.16 6.66 0.15 0.43 -4.92 113.70 116.73 1ncc s SER 120 Ca 0.55 -0.09 -0.04 0.00 0.70 0.00 0.00 55.95 57.07 1ncc s SER 120 Cb -0.11 -1.88 -0.03 0.00 -1.71 0.00 0.00 66.02 62.29 1ncc s SER 120 CO 0.49 0.11 -0.02 -0.69 1.20 0.00 0.00 173.24 174.32 1ncc s VAL 121 N 0.76 4.03 -0.07 4.45 1.01 -1.26 -1.55 120.40 127.78 1ncc s VAL 121 Ca 0.01 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1ncc s VAL 121 Cb -0.14 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1ncc s VAL 121 CO 0.02 0.49 -0.15 -0.31 0.00 0.00 0.00 175.10 175.16 1ncc s TYR 122 N 0.30 1.67 -0.34 5.22 2.02 -0.66 -4.96 117.35 120.60 1ncc s TYR 122 Ca -0.02 -0.60 -0.27 0.00 -0.37 0.00 0.00 57.07 55.81 1ncc s TYR 122 Cb -0.14 -1.18 0.01 0.00 -0.40 0.00 0.00 41.96 40.26 1ncc s TYR 122 CO 0.03 -0.27 0.97 -1.25 -1.57 0.00 0.00 175.55 173.45 1ncc s PRO 123 N 0.47 3.95 -0.63 -1.71 0.04 -1.26 -2.47 135.00 133.39 1ncc s PRO 123 Ca -0.13 0.78 -0.21 0.00 0.04 0.00 0.00 61.00 61.47 1ncc s PRO 123 Cb -0.15 -3.77 0.08 0.00 0.04 0.00 0.00 34.50 30.70 1ncc s PRO 123 CO 0.04 -0.89 0.88 -0.51 0.04 0.00 0.00 177.00 176.56 1ncc s LEU 124 N 3.48 4.67 0.21 -3.56 2.01 -0.39 -4.97 118.68 120.13 1ncc s LEU 124 Ca 0.40 -1.08 0.11 0.00 0.01 0.00 0.00 54.13 53.57 1ncc s LEU 124 Cb -0.12 -2.40 -0.05 0.00 0.01 0.00 0.00 46.19 43.63 1ncc s LEU 124 CO 0.17 -1.32 -0.22 0.00 1.01 0.00 0.00 176.35 175.98 1ncc s ALA 125 N 3.63 2.52 0.48 4.21 0.00 -1.26 -0.50 121.76 130.84 1ncc s ALA 125 Ca 0.19 -1.68 -0.19 0.00 0.00 0.00 0.00 51.96 50.29 1ncc s ALA 125 Cb -0.19 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.55 1ncc s ALA 125 CO 0.09 0.37 0.97 -1.25 0.00 0.00 0.00 175.76 175.95 1ncc s PRO 126 N -2.89 4.04 0.01 0.00 0.04 -1.26 -5.01 135.00 129.92 1ncc s PRO 126 Ca 0.22 1.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.13 1ncc s PRO 126 Cb -0.07 -2.15 -0.30 0.00 0.04 0.00 0.00 34.50 32.02 1ncc s PRO 126 CO 0.11 -0.19 1.02 -0.24 0.04 0.00 0.00 177.00 177.73 1ncc h VAL 127 N 1.35 1.39 0.00 -0.36 3.04 -1.96 -3.44 116.25 116.27 1ncc h VAL 127 Ca -0.48 -2.44 0.00 0.00 -1.01 0.00 0.00 66.70 62.77 1ncc h VAL 127 Cb 1.19 2.89 0.00 0.00 -2.01 0.00 0.00 31.29 33.36 1ncc h VAL 127 CO 0.61 0.72 0.00 0.00 -1.01 0.00 0.00 177.57 177.89 1ncc n GLY 129 N -0.50 3.24 3.56 0.00 0.00 -1.26 -4.95 105.19 105.27 1ncc n GLY 129 Ca 0.00 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 43.99 1ncc n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ncc s ASP 130 N 0.00 5.08 -0.81 1.61 -1.08 -1.26 -4.91 116.67 115.30 1ncc s ASP 130 Ca 0.00 -0.41 -0.23 0.00 -0.52 0.00 0.00 52.55 51.39 1ncc s ASP 130 Cb 0.00 -2.55 0.07 0.00 -1.46 0.00 0.00 42.92 38.97 1ncc s ASP 130 CO 0.00 -2.74 1.19 -0.89 0.52 0.00 0.00 175.17 173.25 1ncc s THR 133 N 10.19 4.13 0.00 1.71 2.01 -1.26 -4.75 115.64 127.68 1ncc s THR 133 Ca 0.71 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.25 1ncc s THR 133 Cb -0.08 -4.85 0.00 0.00 0.01 0.00 0.00 72.50 67.57 1ncc s THR 133 CO 0.04 -1.69 0.00 0.41 -0.69 0.00 0.00 174.62 172.69 1ncc n THR 134 N 6.20 0.00 0.00 -0.82 -1.04 -1.26 -4.13 114.28 113.23 1ncc n THR 134 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1ncc n THR 134 Cb 0.48 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 1ncc n THR 134 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ncc n GLY 135 N 0.00 1.78 3.60 3.41 0.00 -1.26 -5.01 105.19 107.70 1ncc n GLY 135 Ca 0.00 0.41 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 1ncc n GLY 135 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ncc n SER 136 N 0.00 -5.73 -3.47 1.61 7.64 -1.26 -4.97 113.62 107.45 1ncc n SER 136 Ca 0.00 -0.57 -0.15 0.00 1.01 0.00 0.00 58.87 59.17 1ncc n SER 136 Cb 0.00 -4.97 -0.04 0.00 -1.01 0.00 0.00 64.21 58.19 1ncc n SER 136 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ncc s SER 137 N -3.46 -0.61 -0.06 6.43 1.04 -1.26 -1.79 113.70 114.00 1ncc s SER 137 Ca 0.52 0.33 -0.04 0.00 0.48 0.00 0.00 55.95 57.24 1ncc s SER 137 Cb -0.23 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.48 1ncc s SER 137 CO 0.74 -0.79 0.15 0.54 0.98 0.00 0.00 173.24 174.85 1ncc s VAL 138 N -2.54 -0.02 -0.04 5.02 0.11 -0.16 -4.17 120.40 118.59 1ncc s VAL 138 Ca -0.04 0.07 -0.03 0.00 -2.93 0.00 0.00 61.98 59.04 1ncc s VAL 138 Cb -0.01 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.58 1ncc s VAL 138 CO -0.02 0.03 0.12 -0.89 -3.33 0.00 0.00 175.10 171.01 1ncc s THR 139 N 0.50 5.13 0.35 5.04 2.01 -1.26 -0.31 115.64 127.09 1ncc s THR 139 Ca -0.04 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 61.89 1ncc s THR 139 Cb -0.05 -3.32 -0.07 0.00 0.01 0.00 0.00 72.50 69.07 1ncc s THR 139 CO -0.02 0.43 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.52 1ncc s LEU 140 N -1.56 2.70 0.35 4.42 1.43 0.15 -4.55 118.68 121.62 1ncc s LEU 140 Ca 0.22 -1.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.09 1ncc s LEU 140 Cb -0.12 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 1ncc s LEU 140 CO 0.12 -0.30 0.42 -0.83 0.23 0.00 0.00 176.35 176.00 1ncc s GLY 141 N -3.60 1.88 -0.28 -3.19 0.00 0.35 -1.85 107.32 100.63 1ncc s GLY 141 Ca 0.33 -1.76 -0.24 0.00 0.00 0.00 0.00 44.72 43.04 1ncc s GLY 141 CO 0.16 -1.18 0.85 0.00 0.00 0.00 0.00 173.10 172.94 1ncc s LEU 143 N 0.41 2.08 -0.43 0.00 2.96 -1.03 -2.17 118.68 120.50 1ncc s LEU 143 Ca 0.01 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1ncc s LEU 143 Cb -0.05 -1.18 0.13 0.00 0.50 0.00 0.00 46.19 45.58 1ncc s LEU 143 CO -0.03 0.26 0.20 -0.69 -1.32 0.00 0.00 176.35 174.77 1ncc s VAL 144 N -0.63 1.68 0.05 1.68 1.01 0.34 -1.66 120.40 122.88 1ncc s VAL 144 Ca 0.09 -2.54 0.00 0.00 0.00 0.00 0.00 61.98 59.54 1ncc s VAL 144 Cb -0.09 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1ncc s VAL 144 CO -0.00 -0.81 0.18 -0.54 0.00 0.00 0.00 175.10 173.92 1ncc s LYS 145 N 0.45 3.32 0.00 2.72 1.02 -0.60 -0.18 119.74 126.47 1ncc s LYS 145 Ca 0.16 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.67 1ncc s LYS 145 Cb -0.23 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 1ncc s LYS 145 CO -0.04 0.61 0.00 0.41 -0.92 0.00 0.00 175.35 175.41 1ncc n GLY 146 N 0.43 2.15 3.85 -3.33 0.00 -0.95 -0.43 105.19 106.91 1ncc n GLY 146 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1ncc n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ncc s TYR 147 N -2.54 3.48 -0.11 1.61 1.13 -1.21 -4.31 117.35 115.39 1ncc s TYR 147 Ca 0.00 1.36 -0.19 0.00 -1.41 0.00 0.00 57.07 56.83 1ncc s TYR 147 Cb 0.00 -2.71 0.05 0.00 -1.10 0.00 0.00 41.96 38.19 1ncc s TYR 147 CO 0.00 -0.36 0.48 0.12 -2.51 0.00 0.00 175.55 173.28 1ncc s PHE 148 N -2.65 -0.46 0.58 -3.49 5.36 0.34 -1.02 117.98 116.63 1ncc s PHE 148 Ca 0.57 1.00 0.02 0.00 -0.96 0.00 0.00 56.93 57.55 1ncc s PHE 148 Cb -0.10 0.20 0.05 0.00 -0.34 0.00 0.00 43.02 42.83 1ncc s PHE 148 CO 0.34 -0.36 0.81 -1.25 -1.46 0.00 0.00 175.22 173.30 1ncc s PRO 149 N -0.43 2.37 0.54 10.12 0.04 -1.26 -2.68 135.00 143.70 1ncc s PRO 149 Ca -0.06 -0.92 -0.21 0.00 0.04 0.00 0.00 61.00 59.86 1ncc s PRO 149 Cb -0.03 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 1ncc s PRO 149 CO 0.03 -0.85 1.26 -1.21 0.04 0.00 0.00 177.00 176.27 1ncc s GLU 150 N -4.81 3.22 0.90 4.56 2.02 -1.26 -4.80 118.70 118.53 1ncc s GLU 150 Ca 0.59 1.98 -0.12 0.00 0.02 0.00 0.00 54.97 57.44 1ncc s GLU 150 Cb -0.09 -2.17 0.20 0.00 0.10 0.00 0.00 34.13 32.17 1ncc s GLU 150 CO 0.39 -1.05 1.23 -0.35 0.02 0.00 0.00 175.26 175.50 1ncc n PRO 151 N -1.10 -0.96 -3.66 0.39 -0.04 -1.26 -5.07 135.00 123.31 1ncc n PRO 151 Ca 0.11 -2.24 -0.11 0.00 -0.04 0.00 0.00 63.50 61.22 1ncc n PRO 151 Cb 0.47 -1.16 -0.08 0.00 -0.04 0.00 0.00 33.50 32.69 1ncc n PRO 151 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ncc s VAL 152 N -3.66 -0.00 -0.19 0.52 1.01 -1.26 -4.57 120.40 112.24 1ncc s VAL 152 Ca 0.72 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.69 1ncc s VAL 152 Cb -0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1ncc s VAL 152 CO 0.50 0.00 -0.08 -0.89 0.00 0.00 0.00 175.10 174.64 1ncc s THR 153 N 0.89 3.22 0.14 3.92 2.01 -0.63 -4.98 115.64 120.20 1ncc s THR 153 Ca -0.04 -0.56 0.07 0.00 0.31 0.00 0.00 61.69 61.47 1ncc s THR 153 Cb -0.05 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1ncc s THR 153 CO -0.08 0.46 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.05 1ncc s LEU 154 N 1.14 3.22 -0.17 4.42 0.20 -1.26 -0.99 118.68 125.24 1ncc s LEU 154 Ca 0.01 -0.38 -0.09 0.00 0.69 0.00 0.00 54.13 54.37 1ncc s LEU 154 Cb -0.14 -1.93 0.06 0.00 -0.43 0.00 0.00 46.19 43.75 1ncc s LEU 154 CO -0.02 0.13 0.40 -0.89 -0.29 0.00 0.00 176.35 175.69 1ncc s THR 156 N -1.50 -0.06 0.02 3.68 2.01 -0.74 -5.01 115.64 114.04 1ncc s THR 156 Ca 0.25 0.10 -0.19 0.00 0.31 0.00 0.00 61.69 62.16 1ncc s THR 156 Cb -0.10 -0.61 -0.06 0.00 0.01 0.00 0.00 72.50 71.74 1ncc s THR 156 CO 0.17 0.04 0.53 0.26 -0.69 0.00 0.00 174.62 174.93 1ncc s TRP 157 N 1.46 3.73 -0.04 4.92 0.52 -1.26 -1.32 118.94 126.96 1ncc s TRP 157 Ca -0.09 1.16 -0.03 0.00 0.02 0.00 0.00 56.10 57.16 1ncc s TRP 157 Cb -0.09 -2.49 0.00 0.00 -1.15 0.00 0.00 33.47 29.75 1ncc s TRP 157 CO -0.13 0.49 0.05 0.09 0.02 0.00 0.00 176.95 177.48 1ncc n ASN 162 N 2.20 -0.78 -1.48 2.95 4.13 -0.14 -1.50 115.26 120.64 1ncc n ASN 162 Ca -0.10 0.01 -0.08 0.00 1.68 0.00 0.00 54.58 56.09 1ncc n ASN 162 Cb 0.51 -0.21 -0.03 0.00 -1.54 0.00 0.00 39.78 38.51 1ncc n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1ncc n SER 163 N 1.10 -2.38 0.00 6.41 7.64 -1.26 0.07 113.62 125.20 1ncc n SER 163 Ca -0.01 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1ncc n SER 163 Cb 0.08 -2.33 0.00 0.00 -1.01 0.00 0.00 64.21 60.95 1ncc n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ncc n GLY 164 N -0.27 2.75 0.32 0.23 0.00 -0.56 -4.86 105.19 102.80 1ncc n GLY 164 Ca -0.09 -0.28 0.16 0.00 0.00 0.00 0.00 46.02 45.82 1ncc n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ncc h SER 165 N 0.00 0.00 -3.39 1.61 0.02 -0.49 -3.34 113.55 107.95 1ncc h SER 165 Ca 0.00 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.24 1ncc h SER 165 Cb 0.00 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.34 1ncc h SER 165 CO 0.00 0.00 -0.20 -0.22 -1.14 0.00 0.00 176.83 175.27 1ncc s LEU 166 N -7.64 5.14 0.09 5.07 2.96 -1.12 -4.84 118.68 118.34 1ncc s LEU 166 Ca -0.05 -0.95 -0.00 0.00 -0.22 0.00 0.00 54.13 52.91 1ncc s LEU 166 Cb 0.15 -2.32 -0.00 0.00 0.50 0.00 0.00 46.19 44.52 1ncc s LEU 166 CO 0.55 -0.66 -0.01 -1.20 -1.32 0.00 0.00 176.35 173.71 1ncc n SER 167 N 5.58 1.08 -4.62 3.68 7.64 -1.26 -4.26 113.62 121.46 1ncc n SER 167 Ca -0.09 0.14 -0.48 0.00 1.01 0.00 0.00 58.87 59.45 1ncc n SER 167 Cb 0.46 -0.33 -0.05 0.00 -1.01 0.00 0.00 64.21 63.28 1ncc n SER 167 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ncc n SER 168 N -3.47 3.18 0.00 6.43 7.64 -1.26 -1.92 113.62 124.23 1ncc n SER 168 Ca -0.00 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1ncc n SER 168 Cb 0.01 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.83 1ncc n SER 168 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ncc n GLY 169 N 5.06 1.97 3.77 0.23 0.00 -1.26 -4.80 105.19 110.16 1ncc n GLY 169 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 1ncc n GLY 169 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ncc s VAL 171 N -2.10 3.30 -0.22 1.61 -7.23 -0.81 -3.13 120.40 111.82 1ncc s VAL 171 Ca 0.00 1.15 -0.04 0.00 -1.81 0.00 0.00 61.98 61.29 1ncc s VAL 171 Cb 0.00 -3.68 0.07 0.00 0.56 0.00 0.00 36.38 33.34 1ncc s VAL 171 CO 0.00 0.16 0.09 -1.00 -0.31 0.00 0.00 175.10 174.04 1ncc s HIS 172 N -1.36 0.59 -0.16 2.82 3.76 -0.61 -4.98 115.29 115.34 1ncc s HIS 172 Ca 0.53 -0.73 -0.12 0.00 -0.15 0.00 0.00 55.06 54.59 1ncc s HIS 172 Cb -0.30 -0.93 -0.05 0.00 1.11 0.00 0.00 32.58 32.41 1ncc s HIS 172 CO 0.39 -0.65 0.22 0.99 -0.85 0.00 0.00 174.74 174.84 1ncc s THR 173 N 2.01 5.35 0.62 1.30 2.01 -1.26 -0.74 115.64 124.93 1ncc s THR 173 Ca 0.04 0.39 -0.06 0.00 0.31 0.00 0.00 61.69 62.37 1ncc s THR 173 Cb -0.16 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.82 1ncc s THR 173 CO -0.17 0.44 0.93 -0.36 -0.69 0.00 0.00 174.62 174.77 1ncc s PHE 174 N 0.20 3.11 0.70 4.92 0.08 -0.29 -4.99 117.98 121.71 1ncc s PHE 174 Ca 0.14 0.53 -0.12 0.00 0.12 0.00 0.00 56.93 57.60 1ncc s PHE 174 Cb -0.12 -2.89 0.02 0.00 -0.57 0.00 0.00 43.02 39.46 1ncc s PHE 174 CO 0.02 -1.02 1.07 -2.14 -0.10 0.00 0.00 175.22 173.06 1ncc s PRO 175 N -5.06 2.78 0.59 0.24 0.02 -1.26 -4.70 135.00 127.61 1ncc s PRO 175 Ca 0.56 1.08 -0.10 0.00 0.02 0.00 0.00 61.00 62.56 1ncc s PRO 175 Cb -0.11 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1ncc s PRO 175 CO 0.44 -1.23 0.98 0.00 -0.33 0.00 0.00 177.00 176.87 1ncc s ALA 176 N -2.89 3.16 0.00 -1.55 0.00 -1.26 -4.66 121.76 114.55 1ncc s ALA 176 Ca 0.60 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 1ncc s ALA 176 Cb -0.16 -2.99 -0.00 0.00 0.00 0.00 0.00 23.12 19.97 1ncc s ALA 176 CO 0.52 -0.62 0.00 0.54 0.00 0.00 0.00 175.76 176.21 1ncc s VAL 177 N -3.09 0.02 -0.31 0.00 0.11 -1.04 -4.96 120.40 111.12 1ncc s VAL 177 Ca 0.54 -0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 59.30 1ncc s VAL 177 Cb -0.11 -0.06 -0.02 0.00 -1.53 0.00 0.00 36.38 34.66 1ncc s VAL 177 CO 0.52 -0.07 0.39 -0.22 -3.33 0.00 0.00 175.10 172.39 1ncc s LEU 178 N -0.21 4.26 -0.41 2.54 2.96 -1.26 -1.26 118.68 125.29 1ncc s LEU 178 Ca -0.02 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1ncc s LEU 178 Cb -0.02 -2.42 0.11 0.00 0.50 0.00 0.00 46.19 44.37 1ncc s LEU 178 CO -0.00 -0.30 0.22 -1.58 -1.32 0.00 0.00 176.35 173.36 1ncc s GLN 179 N 2.11 2.05 0.00 1.98 0.74 0.12 -4.92 119.66 121.73 1ncc s GLN 179 Ca 0.14 -1.81 0.00 0.00 0.05 0.00 0.00 55.36 53.74 1ncc s GLN 179 Cb -0.16 -3.62 0.00 0.00 1.10 0.00 0.00 33.01 30.33 1ncc s GLN 179 CO 0.11 -1.08 0.00 0.43 -0.55 0.00 0.00 175.29 174.20 1ncc n SER 180 N 4.63 0.00 -0.05 6.67 7.64 -1.26 -2.29 113.62 128.95 1ncc n SER 180 Ca -0.03 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.80 1ncc n SER 180 Cb 0.41 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.54 1ncc n SER 180 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ncc n ASP 183 N 1.35 2.71 -4.26 6.43 2.03 -1.26 -5.08 116.55 118.48 1ncc n ASP 183 Ca 0.00 -0.01 -0.24 0.00 0.52 0.00 0.00 54.79 55.06 1ncc n ASP 183 Cb 0.00 0.64 -0.09 0.00 -0.72 0.00 0.00 41.12 40.95 1ncc n ASP 183 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1ncc s LEU 184 N -4.80 2.05 0.15 -2.67 -0.00 -0.97 -4.86 118.68 107.58 1ncc s LEU 184 Ca -0.06 -1.58 0.04 0.00 -0.00 0.00 0.00 54.13 52.54 1ncc s LEU 184 Cb 0.03 -0.21 -0.04 0.00 -0.00 0.00 0.00 46.19 45.97 1ncc s LEU 184 CO 0.38 -0.83 0.17 -0.31 -0.00 0.00 0.00 176.35 175.76 1ncc s TYR 185 N -3.24 3.24 -0.01 3.48 2.02 -0.19 0.13 117.35 122.78 1ncc s TYR 185 Ca 0.27 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.02 1ncc s TYR 185 Cb 0.04 -1.56 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 1ncc s TYR 185 CO 0.14 0.52 -0.05 0.99 -1.57 0.00 0.00 175.55 175.58 1ncc s THR 186 N -1.71 0.43 0.09 -0.71 2.01 -0.39 -2.25 115.64 113.11 1ncc s THR 186 Ca 0.32 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.15 1ncc s THR 186 Cb -0.11 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1ncc s THR 186 CO 0.25 0.14 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.03 1ncc s LEU 187 N 0.18 2.46 -0.00 4.42 2.96 0.75 -2.48 118.68 126.97 1ncc s LEU 187 Ca -0.02 -0.92 -0.10 0.00 -0.22 0.00 0.00 54.13 52.87 1ncc s LEU 187 Cb -0.06 -0.09 0.01 0.00 0.50 0.00 0.00 46.19 46.55 1ncc s LEU 187 CO -0.00 -0.42 0.20 -0.44 -1.32 0.00 0.00 176.35 174.37 1ncc s SER 188 N -2.77 -0.04 -0.13 3.68 0.01 -1.26 -0.50 113.70 112.68 1ncc s SER 188 Ca 0.08 -0.12 -0.14 0.00 1.31 0.00 0.00 55.95 57.07 1ncc s SER 188 Cb 0.02 0.24 0.04 0.00 0.21 0.00 0.00 66.02 66.53 1ncc s SER 188 CO -0.04 -0.40 0.39 -0.55 0.41 0.00 0.00 173.24 173.05 1ncc s SER 189 N -1.40 -0.39 0.14 2.44 0.15 -0.92 -1.14 113.70 112.58 1ncc s SER 189 Ca -0.14 0.72 0.10 0.00 0.70 0.00 0.00 55.95 57.33 1ncc s SER 189 Cb -0.07 0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 64.95 1ncc s SER 189 CO 0.02 -0.18 -0.20 -0.44 1.20 0.00 0.00 173.24 173.64 1ncc s SER 190 N 0.02 3.71 -0.22 5.45 0.01 0.08 -1.34 113.70 121.40 1ncc s SER 190 Ca -0.02 -0.67 -0.05 0.00 1.31 0.00 0.00 55.95 56.52 1ncc s SER 190 Cb -0.03 -0.43 0.11 0.00 0.21 0.00 0.00 66.02 65.88 1ncc s SER 190 CO 0.01 0.16 0.41 0.54 0.41 0.00 0.00 173.24 174.77 1ncc s VAL 191 N -1.30 -0.65 -0.30 3.43 0.11 -0.77 -1.58 120.40 119.34 1ncc s VAL 191 Ca 0.18 0.08 -0.16 0.00 -2.93 0.00 0.00 61.98 59.15 1ncc s VAL 191 Cb -0.10 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 1ncc s VAL 191 CO 0.10 -0.00 0.42 -0.89 -3.33 0.00 0.00 175.10 171.40 1ncc s THR 192 N 2.60 5.12 0.36 5.04 2.01 -1.18 -0.67 115.64 128.92 1ncc s THR 192 Ca 0.04 0.46 0.07 0.00 0.31 0.00 0.00 61.69 62.58 1ncc s THR 192 Cb -0.13 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1ncc s THR 192 CO -0.14 0.01 0.42 0.68 -0.69 0.00 0.00 174.62 174.90 1ncc s VAL 193 N 2.17 3.48 0.43 3.82 -7.23 0.58 -4.66 120.40 119.00 1ncc s VAL 193 Ca 0.16 -1.16 -0.14 0.00 -1.81 0.00 0.00 61.98 59.03 1ncc s VAL 193 Cb -0.16 -3.20 -0.08 0.00 0.56 0.00 0.00 36.38 33.51 1ncc s VAL 193 CO 0.11 -0.11 0.85 0.42 -0.31 0.00 0.00 175.10 176.06 1ncc s THR 194 N -2.29 4.66 0.34 5.32 -4.23 -1.26 -0.99 115.64 117.18 1ncc s THR 194 Ca 0.46 0.93 0.11 0.00 -1.18 0.00 0.00 61.69 62.02 1ncc s THR 194 Cb -0.07 -3.70 0.33 0.00 1.34 0.00 0.00 72.50 70.40 1ncc s THR 194 CO 0.30 -0.52 1.77 0.28 -0.54 0.00 0.00 174.62 175.91 1ncc h SER 195 N 1.32 0.64 0.28 3.99 0.02 -1.64 0.19 113.55 118.35 1ncc h SER 195 Ca -0.47 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1ncc h SER 195 Cb 1.18 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1ncc h SER 195 CO 0.63 0.17 -0.19 0.28 -1.14 0.00 0.00 176.83 176.58 1ncc h SER 196 N 0.59 0.00 1.62 3.07 0.02 -1.92 -3.19 113.55 113.73 1ncc h SER 196 Ca 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1ncc h SER 196 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1ncc h SER 196 CO -0.37 0.19 -0.04 0.71 -1.14 0.00 0.00 176.83 176.18 1ncc h THR 198 N 0.00 0.00 -3.20 -2.27 1.35 -1.32 -3.43 112.91 104.03 1ncc h THR 198 Ca -0.00 -0.65 -0.15 0.00 -0.55 0.00 0.00 66.41 65.05 1ncc h THR 198 Cb 0.38 1.63 -0.23 0.00 -1.73 0.00 0.00 68.15 68.20 1ncc h THR 198 CO 0.02 0.00 -0.41 0.86 -0.25 0.00 0.00 175.52 175.74 1ncc s TRP 199 N -3.14 -0.18 0.00 4.73 -0.00 -1.21 -0.38 118.94 118.76 1ncc s TRP 199 Ca 0.09 0.39 0.00 0.00 -0.00 0.00 0.00 56.10 56.58 1ncc s TRP 199 Cb 0.10 0.06 0.00 0.00 -0.00 0.00 0.00 33.47 33.63 1ncc s TRP 199 CO 0.63 -0.22 1.03 -2.30 -0.00 0.00 0.00 176.95 176.08 1ncc n PRO 200 N 2.23 0.88 0.00 5.86 -0.02 -1.26 -4.89 135.00 137.80 1ncc n PRO 200 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1ncc n PRO 200 Cb 0.57 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 1ncc n PRO 200 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ncc n SER 202 N 0.73 0.00 -4.56 2.55 7.64 -1.24 -4.86 113.62 113.88 1ncc n SER 202 Ca 0.00 0.91 -0.27 0.00 1.01 0.00 0.00 58.87 60.52 1ncc n SER 202 Cb 0.44 -0.49 0.13 0.00 -1.01 0.00 0.00 64.21 63.27 1ncc n SER 202 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ncc s GLN 203 N -2.63 1.45 -0.95 1.43 -1.52 0.49 -5.02 119.66 112.90 1ncc s GLN 203 Ca 0.00 -0.50 -0.07 0.00 -1.95 0.00 0.00 55.36 52.84 1ncc s GLN 203 Cb 0.00 -2.07 0.24 0.00 -0.22 0.00 0.00 33.01 30.96 1ncc s GLN 203 CO 0.00 -1.77 0.89 -1.12 -0.25 0.00 0.00 175.29 173.03 1ncc s SER 204 N -4.72 6.64 0.34 5.90 0.01 -1.26 -4.73 113.70 115.88 1ncc s SER 204 Ca 0.67 -3.39 -0.27 0.00 1.31 0.00 0.00 55.95 54.27 1ncc s SER 204 Cb -0.07 -2.09 -0.09 0.00 0.21 0.00 0.00 66.02 63.98 1ncc s SER 204 CO 0.48 -0.32 1.17 -0.63 0.41 0.00 0.00 173.24 174.35 1ncc s ILE 205 N -0.90 3.20 -0.12 1.44 -1.09 -1.26 -4.92 121.20 117.56 1ncc s ILE 205 Ca 0.26 1.11 -0.11 0.00 -2.23 0.00 0.00 60.65 59.68 1ncc s ILE 205 Cb -0.10 -3.67 0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1ncc s ILE 205 CO -0.09 0.19 0.32 -0.89 -1.23 0.00 0.00 174.94 173.24 1ncc s THR 206 N -1.28 0.00 -1.04 2.92 2.01 -1.26 -2.76 115.64 114.22 1ncc s THR 206 Ca 0.51 -0.02 -0.13 0.00 0.31 0.00 0.00 61.69 62.36 1ncc s THR 206 Cb -0.33 -0.46 0.22 0.00 0.01 0.00 0.00 72.50 71.95 1ncc s THR 206 CO 0.42 -0.01 1.10 0.00 -0.69 0.00 0.00 174.62 175.44 1ncc s ASN 209 N 2.16 6.90 -0.16 0.00 -0.87 -0.44 -2.10 114.94 120.44 1ncc s ASN 209 Ca 0.31 1.11 0.00 0.00 -1.57 0.00 0.00 52.86 52.71 1ncc s ASN 209 Cb -0.08 -2.45 0.03 0.00 -0.02 0.00 0.00 41.25 38.73 1ncc s ASN 209 CO -0.07 -0.48 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.18 1ncc s VAL 210 N 2.61 1.42 -0.24 1.60 1.01 0.13 -1.79 120.40 125.14 1ncc s VAL 210 Ca 0.37 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 1ncc s VAL 210 Cb -0.16 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1ncc s VAL 210 CO 0.09 0.32 0.11 0.00 0.00 0.00 0.00 175.10 175.62 1ncc s ALA 211 N 1.53 3.35 -0.55 5.51 0.00 -0.16 -1.02 121.76 130.42 1ncc s ALA 211 Ca 0.03 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 1ncc s ALA 211 Cb -0.14 -2.18 0.14 0.00 0.00 0.00 0.00 23.12 20.94 1ncc s ALA 211 CO -0.09 -0.34 0.47 -1.58 0.00 0.00 0.00 175.76 174.21 1ncc s HIS 212 N 1.35 3.41 0.12 0.00 2.46 0.45 -1.61 115.29 121.46 1ncc s HIS 212 Ca 0.06 -1.72 -0.23 0.00 0.47 0.00 0.00 55.06 53.64 1ncc s HIS 212 Cb -0.15 -3.64 -0.07 0.00 -0.13 0.00 0.00 32.58 28.60 1ncc s HIS 212 CO 0.05 -1.00 1.69 -1.35 -2.47 0.00 0.00 174.74 171.66 1ncc h PRO 213 N 8.44 -0.17 -1.26 2.88 0.11 -1.81 -1.35 132.00 138.84 1ncc h PRO 213 Ca -0.19 0.01 0.40 0.00 0.11 0.00 0.00 66.00 66.33 1ncc h PRO 213 Cb 1.07 0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.10 1ncc h PRO 213 CO 0.91 -0.11 0.81 0.00 -0.21 0.00 0.00 178.00 179.40 1ncc h ALA 214 N 0.84 2.64 -0.72 -0.75 0.00 -1.90 -2.22 119.26 117.15 1ncc h ALA 214 Ca 0.06 0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.75 1ncc h ALA 214 Cb 0.25 0.17 -0.40 0.00 0.00 0.00 0.00 17.79 17.81 1ncc h ALA 214 CO -0.15 -1.22 -1.10 -1.13 0.00 0.00 0.00 179.25 175.65 1ncc n SER 215 N -4.68 1.97 0.00 0.00 3.41 -0.89 -5.00 113.62 108.43 1ncc n SER 215 Ca 0.35 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 1ncc n SER 215 Cb 1.32 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1ncc n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ncc n SER 216 N -0.41 -2.97 -4.74 4.04 7.64 -0.56 -4.89 113.62 111.72 1ncc n SER 216 Ca 0.12 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.59 1ncc n SER 216 Cb 0.81 -2.51 -0.04 0.00 -1.01 0.00 0.00 64.21 61.47 1ncc n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ncc s THR 217 N -0.78 3.65 -0.24 0.44 2.01 -1.12 -4.88 115.64 114.72 1ncc s THR 217 Ca 0.00 1.42 -0.08 0.00 0.31 0.00 0.00 61.69 63.34 1ncc s THR 217 Cb 0.00 -3.91 0.11 0.00 0.01 0.00 0.00 72.50 68.71 1ncc s THR 217 CO 0.00 0.24 0.52 -1.59 -0.69 0.00 0.00 174.62 173.10 1ncc s LYS 218 N -0.41 0.43 0.23 4.92 0.00 -1.25 -0.41 119.74 123.26 1ncc s LYS 218 Ca 0.51 1.21 0.06 0.00 0.00 0.00 0.00 55.97 57.75 1ncc s LYS 218 Cb -0.32 0.56 -0.03 0.00 0.00 0.00 0.00 37.83 38.04 1ncc s LYS 218 CO 0.37 -0.24 0.22 0.08 0.00 0.00 0.00 175.35 175.79 1ncc s VAL 219 N 2.74 4.64 -0.42 1.79 1.01 -0.19 -4.95 120.40 125.03 1ncc s VAL 219 Ca -0.03 -1.26 0.04 0.00 0.00 0.00 0.00 61.98 60.73 1ncc s VAL 219 Cb -0.12 -3.49 0.17 0.00 0.00 0.00 0.00 36.38 32.94 1ncc s VAL 219 CO -0.15 -0.31 0.36 -1.81 0.00 0.00 0.00 175.10 173.19 1ncc s ASP 220 N -3.75 1.25 0.32 3.32 1.11 -1.26 0.22 116.67 117.87 1ncc s ASP 220 Ca 0.33 -2.94 -0.29 0.00 0.18 0.00 0.00 52.55 49.83 1ncc s ASP 220 Cb -0.08 -0.26 -0.10 0.00 1.07 0.00 0.00 42.92 43.54 1ncc s ASP 220 CO 0.26 -0.17 1.22 -0.54 1.18 0.00 0.00 175.17 177.12 1ncc s LYS 221 N 0.16 4.44 0.31 8.23 -0.14 -0.89 -4.83 119.74 127.01 1ncc s LYS 221 Ca 0.32 2.03 -0.05 0.00 -1.36 0.00 0.00 55.97 56.91 1ncc s LYS 221 Cb 0.03 -3.08 -0.05 0.00 -1.68 0.00 0.00 37.83 33.04 1ncc s LYS 221 CO -0.18 -0.05 0.59 0.21 -0.76 0.00 0.00 175.35 175.16 1ncc s LYS 222 N -1.70 3.64 -0.89 1.68 2.20 -1.26 -1.24 119.74 122.17 1ncc s LYS 222 Ca 0.48 0.06 -0.10 0.00 -0.36 0.00 0.00 55.97 56.05 1ncc s LYS 222 Cb -0.36 -2.61 0.23 0.00 -1.51 0.00 0.00 37.83 33.58 1ncc s LYS 222 CO 0.47 0.17 0.82 0.42 -0.36 0.00 0.00 175.35 176.87 1ncc s ILE 223 N -2.15 5.35 0.38 5.43 1.09 -1.11 -4.74 121.20 125.45 1ncc s ILE 223 Ca 0.45 -2.95 -0.26 0.00 -1.10 0.00 0.00 60.65 56.79 1ncc s ILE 223 Cb -0.11 -4.29 -0.09 0.00 -1.06 0.00 0.00 42.46 36.92 1ncc s ILE 223 CO 0.31 -1.06 1.15 -1.61 -0.10 0.00 0.00 174.94 173.63 1ncc s GLU 224 N -0.42 4.15 0.34 2.79 8.01 -1.26 -4.81 118.70 127.50 1ncc s GLU 224 Ca 0.22 1.81 0.13 0.00 0.01 0.00 0.00 54.97 57.14 1ncc s GLU 224 Cb -0.11 -2.74 1.07 0.00 -4.31 0.00 0.00 34.13 28.04 1ncc s GLU 224 CO -0.08 -0.23 1.60 -1.00 0.01 0.00 0.00 175.26 175.56 1ncc h PRO 225 N 2.79 0.10 -6.63 0.39 0.13 -1.97 -3.45 132.00 123.35 1ncc h PRO 225 Ca -0.48 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1ncc h PRO 225 Cb 1.23 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1ncc h PRO 225 CO 0.63 0.06 -0.15 2.89 -0.23 0.00 0.00 178.00 181.20 1ncc n ARG 226 N -5.26 -0.95 0.00 0.86 1.85 -1.26 -4.82 116.66 107.08 1ncc n ARG 226 Ca 0.31 -0.27 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 1ncc n ARG 226 Cb 1.02 0.07 0.00 0.00 -1.05 0.00 0.00 32.46 32.50 1ncc n ARG 226 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03