#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cdg n ALA 11 N 0.00 -0.70 -3.50 2.61 0.00 -1.26 -4.67 120.51 112.98 2cdg n ALA 11 Ca 0.00 -0.46 -0.21 0.00 0.00 0.00 0.00 53.44 52.77 2cdg n ALA 11 Cb 0.00 -2.17 -0.13 0.00 0.00 0.00 0.00 19.45 17.15 2cdg n ALA 11 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2cdg s LEU 12 N -5.45 0.02 -0.23 0.00 2.96 0.11 -4.98 118.68 111.10 2cdg s LEU 12 Ca 0.69 -0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 54.04 2cdg s LEU 12 Cb -0.26 0.22 -0.04 0.00 0.50 0.00 0.00 46.19 46.61 2cdg s LEU 12 CO 0.56 -0.35 0.10 -0.55 -1.32 0.00 0.00 176.35 174.79 2cdg s SER 13 N 2.28 5.58 0.19 3.68 0.15 -1.26 -1.06 113.70 123.26 2cdg s SER 13 Ca 0.07 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.70 2cdg s SER 13 Cb -0.16 -2.00 -0.05 0.00 -1.71 0.00 0.00 66.02 62.11 2cdg s SER 13 CO -0.17 0.04 0.02 0.27 1.20 0.00 0.00 173.24 174.60 2cdg s ILE 14 N 1.17 0.67 0.09 6.45 -4.36 -0.45 -4.99 121.20 119.78 2cdg s ILE 14 Ca 0.05 -1.99 -0.26 0.00 -0.26 0.00 0.00 60.65 58.20 2cdg s ILE 14 Cb -0.14 -2.23 -0.06 0.00 1.25 0.00 0.00 42.46 41.27 2cdg s ILE 14 CO 0.04 -0.37 0.79 -1.10 0.24 0.00 0.00 174.94 174.54 2cdg s GLN 15 N -3.94 4.54 0.35 0.37 -1.52 -1.26 -0.76 119.66 117.45 2cdg s GLN 15 Ca 0.27 1.14 -0.29 0.00 -1.95 0.00 0.00 55.36 54.54 2cdg s GLN 15 Cb 0.06 -3.33 -0.11 0.00 -0.22 0.00 0.00 33.01 29.41 2cdg s GLN 15 CO 0.06 0.36 1.50 -1.83 -0.25 0.00 0.00 175.29 175.13 2cdg s GLU 16 N -0.38 4.13 0.00 2.91 -1.05 0.36 -1.02 118.70 123.65 2cdg s GLU 16 Ca 0.39 2.55 0.00 0.00 -0.15 0.00 0.00 54.97 57.76 2cdg s GLU 16 Cb -0.22 -2.99 0.00 0.00 -0.44 0.00 0.00 34.13 30.49 2cdg s GLU 16 CO 0.25 -0.54 0.00 0.41 0.95 0.00 0.00 175.26 176.33 2cdg n GLY 17 N 0.88 2.11 3.93 -3.83 0.00 0.13 -4.84 105.19 103.58 2cdg n GLY 17 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2cdg n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cdg s GLU 18 N -0.71 1.49 0.27 1.61 2.02 -0.19 -4.19 118.70 119.00 2cdg s GLU 18 Ca 0.00 -0.33 0.07 0.00 0.02 0.00 0.00 54.97 54.73 2cdg s GLU 18 Cb 0.00 -2.01 -0.03 0.00 0.10 0.00 0.00 34.13 32.19 2cdg s GLU 18 CO 0.00 -1.80 0.27 -0.80 0.02 0.00 0.00 175.26 172.95 2cdg s ASN 19 N -4.70 5.72 -0.04 -0.19 0.01 -1.26 -2.14 114.94 112.33 2cdg s ASN 19 Ca 0.67 -0.21 -0.02 0.00 -0.71 0.00 0.00 52.86 52.59 2cdg s ASN 19 Cb -0.08 -1.43 0.03 0.00 0.41 0.00 0.00 41.25 40.18 2cdg s ASN 19 CO 0.49 -0.13 0.08 0.00 -1.51 0.00 0.00 177.10 176.03 2cdg s ALA 20 N -2.13 0.09 -0.39 0.60 0.00 -0.51 -4.98 121.76 114.43 2cdg s ALA 20 Ca 0.35 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.57 2cdg s ALA 20 Cb -0.08 -0.54 0.08 0.00 0.00 0.00 0.00 23.12 22.57 2cdg s ALA 20 CO 0.27 -0.38 0.19 0.99 0.00 0.00 0.00 175.76 176.83 2cdg s THR 21 N 1.83 3.79 -0.19 0.00 2.01 -1.26 -1.10 115.64 120.71 2cdg s THR 21 Ca -0.00 -1.51 -0.15 0.00 0.31 0.00 0.00 61.69 60.34 2cdg s THR 21 Cb -0.12 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 2cdg s THR 21 CO -0.04 -0.45 0.38 -0.04 -0.69 0.00 0.00 174.62 173.78 2cdg s MET 22 N 1.33 4.19 0.31 4.92 -1.94 -0.09 -4.94 119.30 123.09 2cdg s MET 22 Ca 0.02 0.18 0.08 0.00 -1.71 0.00 0.00 55.69 54.26 2cdg s MET 22 Cb -0.22 -3.52 -0.03 0.00 2.01 0.00 0.00 34.83 33.07 2cdg s MET 22 CO 0.00 0.02 0.23 -0.80 -0.01 0.00 0.00 175.02 174.46 2cdg s ASN 23 N 0.94 5.23 -0.18 3.03 0.01 -1.26 0.19 114.94 122.91 2cdg s ASN 23 Ca 0.19 -0.47 -0.28 0.00 -0.71 0.00 0.00 52.86 51.58 2cdg s ASN 23 Cb -0.14 -1.05 0.08 0.00 0.41 0.00 0.00 41.25 40.55 2cdg s ASN 23 CO 0.07 -0.24 0.76 0.00 -1.51 0.00 0.00 177.10 176.18 2cdg s SER 25 N -0.37 1.50 0.08 0.00 0.15 -1.26 -0.51 113.70 113.28 2cdg s SER 25 Ca -0.04 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.25 2cdg s SER 25 Cb -0.03 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.14 2cdg s SER 25 CO 0.04 0.05 -0.08 -0.72 1.20 0.00 0.00 173.24 173.73 2cdg s TYR 26 N -0.71 0.87 0.00 3.44 -0.85 -0.69 -5.02 117.35 114.39 2cdg s TYR 26 Ca 0.02 -0.70 0.00 0.00 -0.52 0.00 0.00 57.07 55.86 2cdg s TYR 26 Cb -0.07 -0.50 0.00 0.00 0.38 0.00 0.00 41.96 41.77 2cdg s TYR 26 CO 0.01 -0.08 0.00 1.63 -1.52 0.00 0.00 175.55 175.58 2cdg n LYS 27 N 0.63 0.00 -2.41 -3.49 5.02 -1.26 -4.83 118.16 111.81 2cdg n LYS 27 Ca -0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.70 2cdg n LYS 27 Cb 0.58 -0.03 -0.03 0.00 -0.02 0.00 0.00 35.03 35.53 2cdg n LYS 27 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2cdg s THR 28 N 0.00 4.13 0.76 -0.18 -4.23 -1.26 -4.97 115.64 109.88 2cdg s THR 28 Ca 0.00 1.47 -0.15 0.00 -1.18 0.00 0.00 61.69 61.83 2cdg s THR 28 Cb 0.00 -3.95 0.01 0.00 1.34 0.00 0.00 72.50 69.90 2cdg s THR 28 CO 0.00 0.01 0.80 -1.54 -0.54 0.00 0.00 174.62 173.35 2cdg n SER 29 N 5.16 -0.24 -1.07 3.99 3.41 -1.26 -4.99 113.62 118.62 2cdg n SER 29 Ca 0.11 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 2cdg n SER 29 Cb 0.46 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 2cdg n SER 29 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2cdg n ILE 30 N -2.68 0.00 -0.69 -1.33 -6.64 -1.26 -4.85 119.36 101.90 2cdg n ILE 30 Ca 0.11 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.09 2cdg n ILE 30 Cb 0.50 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.70 2cdg n ILE 30 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 2cdg n ASN 31 N -1.34 0.42 -3.43 7.28 2.04 -1.13 -4.90 115.26 114.20 2cdg n ASN 31 Ca 0.00 -1.11 0.02 0.00 -0.44 0.00 0.00 54.58 53.05 2cdg n ASN 31 Cb 0.00 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.20 2cdg n ASN 31 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 2cdg s ASN 32 N -0.11 -0.23 -0.02 0.53 3.84 -1.23 -2.34 114.94 115.38 2cdg s ASN 32 Ca 0.00 0.33 0.07 0.00 0.21 0.00 0.00 52.86 53.47 2cdg s ASN 32 Cb 0.00 1.19 -0.02 0.00 -0.55 0.00 0.00 41.25 41.87 2cdg s ASN 32 CO 0.00 -0.05 -0.24 -0.22 -2.79 0.00 0.00 177.10 173.80 2cdg s LEU 33 N 1.72 2.05 0.09 3.21 0.20 -0.57 -1.11 118.68 124.27 2cdg s LEU 33 Ca -0.04 -0.44 0.07 0.00 0.69 0.00 0.00 54.13 54.41 2cdg s LEU 33 Cb -0.03 -1.26 -0.03 0.00 -0.43 0.00 0.00 46.19 44.45 2cdg s LEU 33 CO -0.14 0.30 -0.19 -1.10 -0.29 0.00 0.00 176.35 174.93 2cdg s GLN 34 N -0.55 1.05 -0.05 1.98 -0.21 0.09 -1.20 119.66 120.76 2cdg s GLN 34 Ca 0.09 -1.07 0.04 0.00 0.02 0.00 0.00 55.36 54.43 2cdg s GLN 34 Cb -0.10 -1.22 -0.02 0.00 1.00 0.00 0.00 33.01 32.67 2cdg s GLN 34 CO -0.01 0.29 -0.15 -1.58 -2.12 0.00 0.00 175.29 171.71 2cdg s TRP 35 N -1.15 2.67 0.31 0.91 0.52 -1.02 -0.47 118.94 120.72 2cdg s TRP 35 Ca 0.04 -0.24 0.07 0.00 0.02 0.00 0.00 56.10 55.99 2cdg s TRP 35 Cb -0.10 -1.64 -0.06 0.00 -1.15 0.00 0.00 33.47 30.52 2cdg s TRP 35 CO 0.03 0.12 -0.06 0.71 0.02 0.00 0.00 176.95 177.78 2cdg s TYR 36 N -0.60 2.13 0.00 -1.98 1.51 -0.00 -1.40 117.35 117.00 2cdg s TYR 36 Ca 0.09 -0.66 0.06 0.00 -1.01 0.00 0.00 57.07 55.55 2cdg s TYR 36 Cb -0.11 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 2cdg s TYR 36 CO 0.01 0.36 -0.20 -0.98 -1.11 0.00 0.00 175.55 173.63 2cdg s ARG 37 N -3.70 1.55 -0.20 -0.62 1.70 -0.81 -1.44 118.95 115.42 2cdg s ARG 37 Ca 0.31 -0.78 -0.08 0.00 -0.47 0.00 0.00 55.73 54.72 2cdg s ARG 37 Cb 0.04 -1.54 -0.04 0.00 -0.57 0.00 0.00 34.95 32.84 2cdg s ARG 37 CO 0.14 0.41 0.07 -1.14 -1.08 0.00 0.00 175.30 173.70 2cdg s GLN 38 N -0.68 3.92 -0.21 3.89 0.74 0.11 -1.05 119.66 126.38 2cdg s GLN 38 Ca 0.08 -0.37 -0.15 0.00 0.05 0.00 0.00 55.36 54.97 2cdg s GLN 38 Cb -0.08 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.73 2cdg s GLN 38 CO -0.00 0.17 0.37 -0.80 -0.55 0.00 0.00 175.29 174.48 2cdg s ASN 39 N 0.66 6.39 -1.43 6.67 0.01 -0.31 -2.64 114.94 124.29 2cdg s ASN 39 Ca 0.04 0.45 -0.04 0.00 -0.71 0.00 0.00 52.86 52.60 2cdg s ASN 39 Cb -0.13 -2.21 0.00 0.00 0.41 0.00 0.00 41.25 39.32 2cdg s ASN 39 CO 0.02 -0.07 0.31 -1.20 -1.51 0.00 0.00 177.10 174.65 2cdg n SER 40 N 4.51 -0.42 -2.57 -1.22 7.64 -1.26 -0.91 113.62 119.39 2cdg n SER 40 Ca -0.09 -1.12 -0.12 0.00 1.01 0.00 0.00 58.87 58.55 2cdg n SER 40 Cb 0.51 -2.49 -0.00 0.00 -1.01 0.00 0.00 64.21 61.22 2cdg n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cdg n GLY 41 N -2.18 -0.50 0.00 0.23 0.00 -1.26 -4.83 105.19 96.65 2cdg n GLY 41 Ca -0.29 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2cdg n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cdg n ARG 42 N -2.87 0.00 -2.25 1.61 1.74 -0.09 -5.12 116.66 109.68 2cdg n ARG 42 Ca -0.10 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.56 2cdg n ARG 42 Cb 0.58 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.99 2cdg n ARG 42 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2cdg s GLY 43 N 0.00 2.67 0.04 -0.13 0.00 -1.24 -4.68 107.32 103.98 2cdg s GLY 43 Ca 0.00 1.09 -0.10 0.00 0.00 0.00 0.00 44.72 45.70 2cdg s GLY 43 CO 0.00 1.94 0.37 1.08 0.00 0.00 0.00 173.10 176.49 2cdg s LEU 44 N -0.61 4.38 -0.05 0.66 1.02 -1.26 -1.16 118.68 121.66 2cdg s LEU 44 Ca 0.53 0.78 0.03 0.00 0.02 0.00 0.00 54.13 55.50 2cdg s LEU 44 Cb -0.36 -2.79 0.00 0.00 0.02 0.00 0.00 46.19 43.06 2cdg s LEU 44 CO 0.41 0.23 -0.15 -0.69 0.02 0.00 0.00 176.35 176.18 2cdg s VAL 45 N -1.29 1.27 0.22 -1.59 1.01 -0.22 -4.97 120.40 114.83 2cdg s VAL 45 Ca 0.29 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 2cdg s VAL 45 Cb -0.14 -1.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.04 2cdg s VAL 45 CO 0.16 0.37 1.33 -2.28 0.00 0.00 0.00 175.10 174.68 2cdg s HIS 46 N 0.24 3.21 -0.06 5.22 2.46 -1.26 -1.92 115.29 123.19 2cdg s HIS 46 Ca -0.07 1.22 -0.10 0.00 0.47 0.00 0.00 55.06 56.58 2cdg s HIS 46 Cb -0.12 -3.64 -0.03 0.00 -0.13 0.00 0.00 32.58 28.66 2cdg s HIS 46 CO 0.03 -1.97 -0.19 1.28 -2.47 0.00 0.00 174.74 171.41 2cdg n LEU 47 N 2.40 1.56 -3.68 8.88 4.77 -0.50 -4.95 117.00 125.49 2cdg n LEU 47 Ca 0.06 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.18 2cdg n LEU 47 Cb 0.42 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 2cdg n LEU 47 CO 0.58 -0.49 0.18 -0.51 -1.33 0.00 0.00 177.39 175.83 2cdg s ILE 48 N -2.49 0.06 -0.02 -0.08 2.07 -1.22 -5.02 121.20 114.50 2cdg s ILE 48 Ca -0.16 -0.67 -0.00 0.00 -1.41 0.00 0.00 60.65 58.41 2cdg s ILE 48 Cb 0.02 -1.31 0.02 0.00 0.13 0.00 0.00 42.46 41.32 2cdg s ILE 48 CO 0.24 -0.26 0.04 -0.22 -1.91 0.00 0.00 174.94 172.83 2cdg s LEU 49 N -2.83 1.36 -0.10 8.50 0.20 -1.26 -2.43 118.68 122.13 2cdg s LEU 49 Ca 0.05 0.06 -0.00 0.00 0.69 0.00 0.00 54.13 54.93 2cdg s LEU 49 Cb 0.01 0.02 0.02 0.00 -0.43 0.00 0.00 46.19 45.81 2cdg s LEU 49 CO -0.09 -0.08 -0.06 -0.51 -0.29 0.00 0.00 176.35 175.32 2cdg s ILE 50 N 0.68 0.86 0.93 6.68 2.07 -0.34 -5.00 121.20 127.08 2cdg s ILE 50 Ca -0.06 -0.20 -0.12 0.00 -1.41 0.00 0.00 60.65 58.86 2cdg s ILE 50 Cb -0.08 -0.90 0.15 0.00 0.13 0.00 0.00 42.46 41.76 2cdg s ILE 50 CO -0.02 0.33 1.10 -0.13 -1.91 0.00 0.00 174.94 174.31 2cdg s ARG 51 N 1.62 1.00 0.50 3.50 0.52 -1.26 -1.50 118.95 123.33 2cdg s ARG 51 Ca 0.02 0.67 0.29 0.00 -0.52 0.00 0.00 55.73 56.19 2cdg s ARG 51 Cb -0.13 -1.79 1.20 0.00 0.52 0.00 0.00 34.95 34.74 2cdg s ARG 51 CO -0.06 -2.38 1.93 0.66 0.02 0.00 0.00 175.30 175.47 2cdg h SER 52 N -1.64 0.00 -1.73 0.23 4.64 -1.81 -2.97 113.55 110.26 2cdg h SER 52 Ca -0.51 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.10 2cdg h SER 52 Cb 1.30 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 63.07 2cdg h SER 52 CO 0.56 0.11 0.48 -0.46 -0.87 0.00 0.00 176.83 176.66 2cdg n ASN 53 N -3.27 6.67 -3.87 4.97 6.94 -1.26 -4.95 115.26 120.50 2cdg n ASN 53 Ca 0.00 -3.80 -0.12 0.00 -0.02 0.00 0.00 54.58 50.64 2cdg n ASN 53 Cb 0.35 -0.87 -0.13 0.00 -2.36 0.00 0.00 39.78 36.78 2cdg n ASN 53 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2cdg s GLU 54 N -3.89 0.13 -0.22 -3.83 2.02 -1.12 -5.06 118.70 106.72 2cdg s GLU 54 Ca 0.52 -0.03 -0.07 0.00 0.02 0.00 0.00 54.97 55.42 2cdg s GLU 54 Cb 0.43 0.06 -0.18 0.00 0.10 0.00 0.00 34.13 34.54 2cdg s GLU 54 CO -0.30 -0.02 -0.06 2.89 0.02 0.00 0.00 175.26 177.79 2cdg n ARG 55 N 2.77 0.65 -3.92 1.61 -4.01 -1.26 -4.69 116.66 107.82 2cdg n ARG 55 Ca -0.14 0.26 -0.10 0.00 -1.04 0.00 0.00 57.85 56.83 2cdg n ARG 55 Cb 0.59 -1.59 -0.10 0.00 -3.04 0.00 0.00 32.46 28.32 2cdg n ARG 55 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 2cdg s GLU 56 N -2.51 0.53 -0.04 2.89 2.02 -1.26 -2.79 118.70 117.54 2cdg s GLU 56 Ca -0.32 -0.63 -0.13 0.00 0.02 0.00 0.00 54.97 53.91 2cdg s GLU 56 Cb 0.09 0.21 0.02 0.00 0.10 0.00 0.00 34.13 34.56 2cdg s GLU 56 CO 0.61 -0.13 0.29 0.15 0.02 0.00 0.00 175.26 176.20 2cdg s LYS 57 N -2.13 0.55 0.15 1.61 -0.14 -1.04 -5.00 119.74 113.73 2cdg s LYS 57 Ca -0.09 -0.04 0.10 0.00 -1.36 0.00 0.00 55.97 54.58 2cdg s LYS 57 Cb -0.04 0.25 -0.04 0.00 -1.68 0.00 0.00 37.83 36.32 2cdg s LYS 57 CO -0.02 -0.13 -0.23 -1.01 -0.76 0.00 0.00 175.35 173.20 2cdg s HIS 58 N -0.90 2.08 -0.43 3.18 3.76 -1.26 -1.85 115.29 119.86 2cdg s HIS 58 Ca -0.10 -0.40 0.07 0.00 -0.15 0.00 0.00 55.06 54.48 2cdg s HIS 58 Cb -0.05 -1.08 0.24 0.00 1.11 0.00 0.00 32.58 32.81 2cdg s HIS 58 CO 0.03 0.36 0.66 0.45 -0.85 0.00 0.00 174.74 175.38 2cdg n SER 59 N 0.60 -1.08 0.00 1.40 2.88 -0.65 -5.01 113.62 111.75 2cdg n SER 59 Ca -0.15 -2.91 0.00 0.00 -1.33 0.00 0.00 58.87 54.47 2cdg n SER 59 Cb 0.55 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.35 2cdg n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cdg n GLY 60 N 1.59 2.03 0.01 0.46 0.00 -1.26 -3.03 105.19 104.98 2cdg n GLY 60 Ca 0.17 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.45 2cdg n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cdg n ARG 61 N 3.54 0.17 -3.29 1.61 1.74 -1.26 -4.77 116.66 114.39 2cdg n ARG 61 Ca 0.00 -0.01 -0.39 0.00 -0.77 0.00 0.00 57.85 56.68 2cdg n ARG 61 Cb 0.00 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.87 2cdg n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2cdg s LEU 62 N -2.84 4.11 -0.19 0.55 1.02 -1.17 -2.47 118.68 117.69 2cdg s LEU 62 Ca 0.19 0.56 -0.00 0.00 0.02 0.00 0.00 54.13 54.89 2cdg s LEU 62 Cb 0.19 -2.62 0.05 0.00 0.02 0.00 0.00 46.19 43.83 2cdg s LEU 62 CO 0.52 -0.18 -0.05 -0.60 0.02 0.00 0.00 176.35 176.05 2cdg s ARG 63 N 1.78 1.50 -0.11 1.70 3.52 -0.30 -1.64 118.95 125.41 2cdg s ARG 63 Ca 0.21 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 55.13 2cdg s ARG 63 Cb -0.15 -2.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.99 2cdg s ARG 63 CO 0.09 -0.49 -0.10 0.54 -0.81 0.00 0.00 175.30 174.52 2cdg s VAL 64 N 1.56 3.33 0.17 7.11 0.11 -0.77 0.13 120.40 132.03 2cdg s VAL 64 Ca -0.01 -0.58 0.09 0.00 -2.93 0.00 0.00 61.98 58.54 2cdg s VAL 64 Cb -0.16 -2.38 -0.04 0.00 -1.53 0.00 0.00 36.38 32.26 2cdg s VAL 64 CO -0.07 0.55 -0.13 0.28 -3.33 0.00 0.00 175.10 172.39 2cdg s THR 65 N -0.09 3.01 -0.14 5.04 -1.32 0.18 -2.51 115.64 119.81 2cdg s THR 65 Ca -0.01 -1.69 -0.13 0.00 -1.21 0.00 0.00 61.69 58.65 2cdg s THR 65 Cb -0.14 -2.47 0.04 0.00 -1.51 0.00 0.00 72.50 68.42 2cdg s THR 65 CO 0.03 -0.08 0.38 -0.22 -2.21 0.00 0.00 174.62 172.52 2cdg s LEU 66 N -2.70 0.51 -0.04 9.08 2.96 -1.12 -1.96 118.68 125.41 2cdg s LEU 66 Ca 0.23 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 54.92 2cdg s LEU 66 Cb -0.09 1.29 0.02 0.00 0.50 0.00 0.00 46.19 47.90 2cdg s LEU 66 CO 0.14 -0.14 -0.06 1.51 -1.32 0.00 0.00 176.35 176.48 2cdg s ASP 67 N 0.30 1.00 0.00 3.68 3.84 -0.98 -4.70 116.67 119.81 2cdg s ASP 67 Ca -0.01 -0.15 0.23 0.00 -0.00 0.00 0.00 52.55 52.62 2cdg s ASP 67 Cb -0.03 -0.43 1.12 0.00 -1.38 0.00 0.00 42.92 42.20 2cdg s ASP 67 CO -0.00 -0.02 1.75 0.41 -0.00 0.00 0.00 175.17 177.31 2cdg n THR 68 N 3.81 0.06 0.12 2.11 -1.04 -1.26 -1.96 114.28 116.12 2cdg n THR 68 Ca -0.23 -0.14 -0.18 0.00 -2.04 0.00 0.00 64.05 61.45 2cdg n THR 68 Cb 0.52 -0.01 -0.14 0.00 -1.82 0.00 0.00 70.33 68.87 2cdg n THR 68 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2cdg h SER 69 N 1.01 0.53 -0.00 8.00 0.87 -1.95 -3.37 113.55 118.63 2cdg h SER 69 Ca 0.00 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 2cdg h SER 69 Cb 0.22 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2cdg h SER 69 CO 0.00 1.45 -0.11 0.29 -0.53 0.00 0.00 176.83 177.93 2cdg n LYS 70 N -3.58 6.02 -3.25 2.24 5.02 -1.24 -5.03 118.16 118.34 2cdg n LYS 70 Ca -0.11 -0.02 -0.16 0.00 -2.02 0.00 0.00 58.31 56.01 2cdg n LYS 70 Cb 1.05 -0.62 0.07 0.00 -0.02 0.00 0.00 35.03 35.51 2cdg n LYS 70 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2cdg n LYS 71 N -1.02 -5.81 -4.10 1.97 5.02 -0.83 -4.91 118.16 108.48 2cdg n LYS 71 Ca 0.00 0.70 -0.11 0.00 -2.02 0.00 0.00 58.31 56.88 2cdg n LYS 71 Cb 0.04 -5.30 -0.11 0.00 -0.02 0.00 0.00 35.03 29.64 2cdg n LYS 71 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2cdg s SER 72 N -3.90 0.90 0.11 4.39 1.04 -1.17 -1.70 113.70 113.38 2cdg s SER 72 Ca 0.13 -0.77 0.02 0.00 0.48 0.00 0.00 55.95 55.81 2cdg s SER 72 Cb -0.06 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 2cdg s SER 72 CO 0.61 -0.35 -0.06 -0.55 0.98 0.00 0.00 173.24 173.86 2cdg s SER 73 N -2.28 1.24 -0.00 7.02 0.15 0.33 -2.31 113.70 117.85 2cdg s SER 73 Ca -0.00 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.62 2cdg s SER 73 Cb -0.02 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.38 2cdg s SER 73 CO -0.03 -0.46 0.01 -0.55 1.20 0.00 0.00 173.24 173.41 2cdg s SER 74 N -3.08 0.02 -0.15 5.45 0.15 -0.83 -0.93 113.70 114.33 2cdg s SER 74 Ca 0.14 0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.81 2cdg s SER 74 Cb 0.05 -0.01 -0.00 0.00 -1.71 0.00 0.00 66.02 64.34 2cdg s SER 74 CO -0.03 -0.02 -0.16 -0.22 1.20 0.00 0.00 173.24 174.00 2cdg s LEU 75 N 0.21 2.44 -0.23 3.45 2.96 0.13 -0.65 118.68 126.99 2cdg s LEU 75 Ca -0.02 -0.47 -0.07 0.00 -0.22 0.00 0.00 54.13 53.35 2cdg s LEU 75 Cb -0.03 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 2cdg s LEU 75 CO -0.01 0.10 0.05 -0.22 -1.32 0.00 0.00 176.35 174.96 2cdg s LEU 76 N 0.71 3.43 -0.16 -0.68 2.96 0.12 -0.91 118.68 124.15 2cdg s LEU 76 Ca -0.07 -0.18 -0.13 0.00 -0.22 0.00 0.00 54.13 53.52 2cdg s LEU 76 Cb -0.16 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 2cdg s LEU 76 CO 0.01 0.01 0.27 -0.63 -1.32 0.00 0.00 176.35 174.69 2cdg s ILE 77 N 1.37 5.32 -0.02 6.68 1.01 -0.26 -1.15 121.20 134.15 2cdg s ILE 77 Ca 0.05 0.51 0.02 0.00 0.00 0.00 0.00 60.65 61.23 2cdg s ILE 77 Cb -0.15 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 2cdg s ILE 77 CO 0.03 0.40 -0.07 0.42 0.00 0.00 0.00 174.94 175.72 2cdg s THR 78 N 0.41 3.66 -0.63 2.92 -4.23 -1.03 -1.43 115.64 115.30 2cdg s THR 78 Ca 0.16 -0.66 -0.13 0.00 -1.18 0.00 0.00 61.69 59.87 2cdg s THR 78 Cb -0.13 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.18 2cdg s THR 78 CO 0.03 0.48 0.64 0.00 -0.54 0.00 0.00 174.62 175.23 2cdg n ALA 79 N 1.83 -2.65 -1.71 3.99 0.00 -1.25 -4.88 120.51 115.84 2cdg n ALA 79 Ca -0.16 0.25 -0.34 0.00 0.00 0.00 0.00 53.44 53.19 2cdg n ALA 79 Cb 0.53 -1.92 -0.00 0.00 0.00 0.00 0.00 19.45 18.05 2cdg n ALA 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2cdg s SER 80 N -2.52 5.90 0.21 0.00 0.01 -0.91 -4.62 113.70 111.77 2cdg s SER 80 Ca 0.15 1.94 0.10 0.00 1.31 0.00 0.00 55.95 59.44 2cdg s SER 80 Cb -0.02 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 2cdg s SER 80 CO 0.83 -1.09 -0.18 -0.13 0.41 0.00 0.00 173.24 173.08 2cdg s ARG 81 N -3.65 1.43 0.31 12.44 1.81 -1.26 0.22 118.95 130.25 2cdg s ARG 81 Ca 0.67 -1.58 0.08 0.00 -1.72 0.00 0.00 55.73 53.18 2cdg s ARG 81 Cb -0.18 -1.45 0.83 0.00 -0.45 0.00 0.00 34.95 33.70 2cdg s ARG 81 CO 0.30 0.27 1.75 0.00 -0.68 0.00 0.00 175.30 176.95 2cdg h ALA 82 N 2.75 1.75 -0.03 2.13 0.00 -1.93 -0.08 119.26 123.86 2cdg h ALA 82 Ca -0.41 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2cdg h ALA 82 Cb 1.23 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2cdg h ALA 82 CO 0.57 -0.18 0.08 0.00 0.00 0.00 0.00 179.25 179.72 2cdg h ALA 83 N 1.69 1.28 0.00 0.00 0.00 -1.96 -1.91 119.26 118.35 2cdg h ALA 83 Ca 0.61 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.50 2cdg h ALA 83 Cb 1.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2cdg h ALA 83 CO -0.42 -0.09 -0.12 -0.44 0.00 0.00 0.00 179.25 178.18 2cdg h ASP 84 N 0.00 0.00 -1.34 0.00 3.32 -1.40 -3.44 116.42 113.56 2cdg h ASP 84 Ca 0.01 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 56.30 2cdg h ASP 84 Cb 0.17 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.73 2cdg h ASP 84 CO -0.00 0.12 0.93 0.41 -1.72 0.00 0.00 179.24 178.98 2cdg n THR 85 N -3.29 0.23 -2.28 0.35 -1.04 -0.72 -4.83 114.28 102.71 2cdg n THR 85 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2cdg n THR 85 Cb 0.35 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 2cdg n THR 85 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cdg n ALA 86 N 5.63 0.00 -3.25 2.41 0.00 -0.40 -4.93 120.51 119.96 2cdg n ALA 86 Ca 0.30 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.41 2cdg n ALA 86 Cb 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.38 2cdg n ALA 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2cdg s SER 87 N -3.03 3.40 -0.22 0.00 0.15 -1.08 0.03 113.70 112.96 2cdg s SER 87 Ca 0.00 -0.49 -0.06 0.00 0.70 0.00 0.00 55.95 56.09 2cdg s SER 87 Cb 0.00 -1.49 -0.03 0.00 -1.71 0.00 0.00 66.02 62.80 2cdg s SER 87 CO 0.00 0.14 0.04 -0.31 1.20 0.00 0.00 173.24 174.32 2cdg s TYR 88 N 0.45 3.09 -0.10 3.44 1.51 -0.61 0.08 117.35 125.21 2cdg s TYR 88 Ca -0.14 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.56 2cdg s TYR 88 Cb -0.17 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.50 2cdg s TYR 88 CO 0.06 -0.22 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.20 2cdg s PHE 89 N 1.16 3.10 0.02 2.71 0.40 -0.52 -1.73 117.98 123.11 2cdg s PHE 89 Ca 0.04 0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.33 2cdg s PHE 89 Cb -0.14 -1.81 -0.05 0.00 0.51 0.00 0.00 43.02 41.52 2cdg s PHE 89 CO 0.03 0.34 0.36 0.00 0.70 0.00 0.00 175.22 176.65 2cdg s ALA 91 N -1.24 -0.51 0.47 0.00 0.00 0.38 -0.24 121.76 120.63 2cdg s ALA 91 Ca 0.27 -0.40 -0.21 0.00 0.00 0.00 0.00 51.96 51.62 2cdg s ALA 91 Cb -0.15 -1.87 -0.08 0.00 0.00 0.00 0.00 23.12 21.02 2cdg s ALA 91 CO 0.15 -1.80 1.05 -1.25 0.00 0.00 0.00 175.76 173.91 2cdg s PRO 92 N 2.20 3.86 -0.26 0.00 0.04 -1.21 -0.73 135.00 138.90 2cdg s PRO 92 Ca 0.11 1.41 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 2cdg s PRO 92 Cb -0.14 -2.19 0.08 0.00 0.04 0.00 0.00 34.50 32.29 2cdg s PRO 92 CO -0.27 -0.39 0.06 0.12 0.04 0.00 0.00 177.00 176.56 2cdg s PHE 93 N -1.90 1.43 0.05 0.56 5.36 -0.27 -2.01 117.98 121.21 2cdg s PHE 93 Ca 0.65 -1.35 0.06 0.00 -0.96 0.00 0.00 56.93 55.34 2cdg s PHE 93 Cb -0.18 -1.39 -0.03 0.00 -0.34 0.00 0.00 43.02 41.08 2cdg s PHE 93 CO 0.22 -0.76 -0.18 0.16 -1.46 0.00 0.00 175.22 173.20 2cdg s ASP 94 N 1.72 2.09 -0.09 6.13 -4.77 -1.24 -2.83 116.67 117.68 2cdg s ASP 94 Ca 0.04 -0.53 -0.30 0.00 -3.30 0.00 0.00 52.55 48.46 2cdg s ASP 94 Cb -0.17 -0.14 0.09 0.00 -1.09 0.00 0.00 42.92 41.60 2cdg s ASP 94 CO -0.17 0.08 0.77 0.00 0.70 0.00 0.00 175.17 176.54 2cdg s ARG 95 N -1.31 0.92 -1.14 2.11 1.04 -1.26 -3.50 118.95 115.80 2cdg s ARG 95 Ca 0.04 0.27 -0.03 0.00 -1.04 0.00 0.00 55.73 54.96 2cdg s ARG 95 Cb -0.09 0.43 0.25 0.00 -2.04 0.00 0.00 34.95 33.50 2cdg s ARG 95 CO 0.02 -0.28 1.97 0.41 -0.04 0.00 0.00 175.30 177.38 2cdg n GLY 96 N 0.96 5.66 5.00 3.88 0.00 -1.26 -4.89 105.19 114.53 2cdg n GLY 96 Ca -0.16 -2.39 0.00 0.00 0.00 0.00 0.00 46.02 43.46 2cdg n GLY 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cdg n SER 97 N 0.90 0.00 0.17 1.61 3.41 -1.26 -4.58 113.62 113.86 2cdg n SER 97 Ca 0.49 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 59.03 2cdg n SER 97 Cb 0.27 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 2cdg n SER 97 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2cdg h THR 98 N 0.00 0.00 -1.23 6.66 1.35 -2.03 -3.46 112.91 114.20 2cdg h THR 98 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2cdg h THR 98 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2cdg h THR 98 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2cdg n LEU 99 N -4.66 0.00 -2.66 3.87 -0.00 -1.26 -5.07 117.00 107.22 2cdg n LEU 99 Ca -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.91 2cdg n LEU 99 Cb 0.19 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.71 2cdg n LEU 99 CO 0.14 -0.48 0.68 0.61 -0.00 0.00 0.00 177.39 178.34 2cdg n GLY 100 N 3.52 -1.59 3.60 1.47 0.00 -1.26 -4.70 105.19 106.23 2cdg n GLY 100 Ca 0.00 0.92 -0.43 0.00 0.00 0.00 0.00 46.02 46.51 2cdg n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cdg s ARG 101 N 0.07 3.46 -0.27 1.61 3.52 -1.23 -4.93 118.95 121.18 2cdg s ARG 101 Ca 0.23 1.18 -0.14 0.00 -0.13 0.00 0.00 55.73 56.87 2cdg s ARG 101 Cb 0.26 -4.11 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 2cdg s ARG 101 CO -0.15 -1.70 0.34 -1.17 -0.81 0.00 0.00 175.30 171.81 2cdg s LEU 102 N 6.12 4.04 0.22 -0.88 2.96 -1.26 -3.63 118.68 126.25 2cdg s LEU 102 Ca 0.70 0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.91 2cdg s LEU 102 Cb -0.18 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 2cdg s LEU 102 CO 0.33 -0.16 0.27 -0.31 -1.32 0.00 0.00 176.35 175.16 2cdg s TYR 103 N 2.01 3.31 -0.02 5.38 1.51 -0.85 -5.00 117.35 123.69 2cdg s TYR 103 Ca 0.14 -0.03 0.07 0.00 -1.01 0.00 0.00 57.07 56.24 2cdg s TYR 103 Cb -0.16 -1.52 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 2cdg s TYR 103 CO 0.10 0.49 -0.23 -0.06 -1.11 0.00 0.00 175.55 174.74 2cdg s PHE 104 N -1.96 2.09 0.00 2.71 0.40 -1.26 -3.36 117.98 116.59 2cdg s PHE 104 Ca 0.33 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 2cdg s PHE 104 Cb -0.09 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.09 2cdg s PHE 104 CO 0.27 -0.06 0.00 0.41 0.70 0.00 0.00 175.22 176.54 2cdg n GLY 105 N 2.60 -1.39 0.11 4.36 0.00 0.67 -5.01 105.19 106.52 2cdg n GLY 105 Ca -0.16 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 2cdg n GLY 105 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2cdg h ARG 106 N 0.00 -0.14 0.00 1.61 2.43 -1.92 -3.45 114.38 112.90 2cdg h ARG 106 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2cdg h ARG 106 Cb 0.00 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2cdg h ARG 106 CO 0.00 0.36 0.00 0.41 -1.51 0.00 0.00 179.97 179.23 2cdg n GLY 107 N 0.72 3.14 2.85 2.80 0.00 -1.26 -5.02 105.19 108.42 2cdg n GLY 107 Ca -0.08 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 2cdg n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cdg s THR 108 N -0.75 1.12 -0.03 2.61 2.01 -0.71 -4.89 115.64 115.01 2cdg s THR 108 Ca 0.00 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 60.69 2cdg s THR 108 Cb 0.00 -1.52 -0.06 0.00 0.01 0.00 0.00 72.50 70.93 2cdg s THR 108 CO 0.00 -0.20 1.69 -1.10 -0.69 0.00 0.00 174.62 174.32 2cdg s GLN 109 N 1.57 4.18 -0.18 4.92 -0.21 -1.26 -1.57 119.66 127.11 2cdg s GLN 109 Ca -0.02 2.25 -0.02 0.00 0.02 0.00 0.00 55.36 57.59 2cdg s GLN 109 Cb -0.18 -3.97 -0.01 0.00 1.00 0.00 0.00 33.01 29.85 2cdg s GLN 109 CO -0.08 -0.85 -0.08 -1.17 -2.12 0.00 0.00 175.29 170.99 2cdg s LEU 110 N 3.95 2.80 -0.06 2.90 2.96 0.10 0.04 118.68 131.36 2cdg s LEU 110 Ca 0.75 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 2cdg s LEU 110 Cb -0.35 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 2cdg s LEU 110 CO 0.31 0.05 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.32 2cdg s THR 111 N 1.03 2.64 -0.19 3.68 2.01 -0.22 -1.27 115.64 123.31 2cdg s THR 111 Ca -0.00 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.15 2cdg s THR 111 Cb -0.15 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.38 2cdg s THR 111 CO -0.01 0.57 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.66 2cdg s VAL 112 N -0.33 1.81 0.09 3.82 1.01 -1.26 -1.34 120.40 124.20 2cdg s VAL 112 Ca 0.02 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2cdg s VAL 112 Cb -0.13 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2cdg s VAL 112 CO 0.02 0.31 0.11 0.26 0.00 0.00 0.00 175.10 175.80 2cdg s TRP 113 N 1.35 3.24 0.95 5.22 0.52 0.06 -4.49 118.94 125.80 2cdg s TRP 113 Ca 0.01 0.09 -0.15 0.00 0.02 0.00 0.00 56.10 56.07 2cdg s TRP 113 Cb -0.15 -1.63 0.18 0.00 -1.15 0.00 0.00 33.47 30.72 2cdg s TRP 113 CO -0.10 0.53 1.27 -2.14 0.02 0.00 0.00 176.95 176.53 2cdg s PRO 114 N -2.50 0.73 -0.28 4.98 0.02 -1.26 0.13 135.00 136.82 2cdg s PRO 114 Ca 0.30 -0.25 -0.14 0.00 0.02 0.00 0.00 61.00 60.94 2cdg s PRO 114 Cb -0.12 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 2cdg s PRO 114 CO 0.23 -2.38 0.33 -0.51 -0.33 0.00 0.00 177.00 174.34 2cdg s ASP 115 N -4.70 6.19 -0.01 2.53 1.11 -1.26 -4.76 116.67 115.77 2cdg s ASP 115 Ca 0.71 0.18 -0.30 0.00 0.18 0.00 0.00 52.55 53.32 2cdg s ASP 115 Cb -0.06 -2.19 -0.04 0.00 1.07 0.00 0.00 42.92 41.70 2cdg s ASP 115 CO 0.53 -0.16 1.22 -0.63 1.18 0.00 0.00 175.17 177.31 2cdg s ILE 116 N 1.99 4.12 -0.05 0.77 -1.09 -1.26 -4.96 121.20 120.72 2cdg s ILE 116 Ca 0.13 1.48 -0.20 0.00 -2.23 0.00 0.00 60.65 59.83 2cdg s ILE 116 Cb -0.16 -3.95 -0.15 0.00 -1.58 0.00 0.00 42.46 36.62 2cdg s ILE 116 CO 0.10 0.04 0.84 0.06 -1.23 0.00 0.00 174.94 174.76 2cdg h GLN 117 N 7.28 -0.23 -2.98 2.79 -0.00 -1.97 -3.42 115.11 116.58 2cdg h GLN 117 Ca -0.37 0.02 -0.61 0.00 -0.00 0.00 0.00 58.65 57.69 2cdg h GLN 117 Cb 1.18 0.05 -0.40 0.00 -0.00 0.00 0.00 27.48 28.31 2cdg h GLN 117 CO 0.86 0.18 -0.75 -0.80 -0.00 0.00 0.00 178.83 178.32 2cdg s ASN 118 N -5.44 3.60 0.29 0.06 0.01 -1.26 -5.11 114.94 107.09 2cdg s ASN 118 Ca -0.12 -2.52 -0.29 0.00 -0.71 0.00 0.00 52.86 49.22 2cdg s ASN 118 Cb 0.00 -0.96 -0.10 0.00 0.41 0.00 0.00 41.25 40.60 2cdg s ASN 118 CO 0.45 -0.28 1.37 -2.84 -1.51 0.00 0.00 177.10 174.29 2cdg s PRO 119 N 0.50 4.31 -0.41 -0.60 0.02 -1.26 -4.97 135.00 132.60 2cdg s PRO 119 Ca 0.17 2.25 0.09 0.00 0.02 0.00 0.00 61.00 63.54 2cdg s PRO 119 Cb -0.24 -3.09 0.30 0.00 0.02 0.00 0.00 34.50 31.49 2cdg s PRO 119 CO -0.01 -0.30 0.65 -3.47 -0.33 0.00 0.00 177.00 173.54 2cdg n ASP 120 N 1.52 0.89 -4.63 2.53 2.03 0.11 -5.01 116.55 114.00 2cdg n ASP 120 Ca 0.03 -2.92 -0.49 0.00 0.52 0.00 0.00 54.79 51.93 2cdg n ASP 120 Cb 0.41 -0.63 -0.05 0.00 -0.72 0.00 0.00 41.12 40.13 2cdg n ASP 120 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2cdg n PRO 121 N 0.80 1.69 -3.64 -0.67 -0.04 -1.11 -4.62 135.00 127.41 2cdg n PRO 121 Ca 0.24 0.61 -0.15 0.00 -0.04 0.00 0.00 63.50 64.15 2cdg n PRO 121 Cb 0.57 -2.31 -0.08 0.00 -0.04 0.00 0.00 33.50 31.64 2cdg n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cdg s ALA 122 N 0.66 -1.35 -0.13 0.55 0.00 -0.49 -4.97 121.76 116.03 2cdg s ALA 122 Ca 0.81 1.11 0.02 0.00 0.00 0.00 0.00 51.96 53.90 2cdg s ALA 122 Cb -0.80 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.06 2cdg s ALA 122 CO 0.42 -0.30 -0.20 0.08 0.00 0.00 0.00 175.76 175.76 2cdg s VAL 123 N -0.75 1.91 0.12 0.00 1.01 -1.25 -0.06 120.40 121.38 2cdg s VAL 123 Ca -0.08 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.10 2cdg s VAL 123 Cb -0.03 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2cdg s VAL 123 CO 0.05 0.52 -0.25 -0.31 0.00 0.00 0.00 175.10 175.12 2cdg s TYR 124 N 0.81 2.13 -0.19 5.22 2.02 0.21 -4.92 117.35 122.63 2cdg s TYR 124 Ca -0.08 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.09 2cdg s TYR 124 Cb -0.16 -1.15 -0.05 0.00 -0.40 0.00 0.00 41.96 40.21 2cdg s TYR 124 CO -0.01 0.30 0.28 -1.14 -1.57 0.00 0.00 175.55 173.40 2cdg s GLN 125 N -2.03 4.19 -0.08 -0.62 0.74 -1.26 0.12 119.66 120.72 2cdg s GLN 125 Ca 0.12 0.01 0.04 0.00 0.05 0.00 0.00 55.36 55.57 2cdg s GLN 125 Cb -0.10 -3.48 -0.01 0.00 1.10 0.00 0.00 33.01 30.52 2cdg s GLN 125 CO 0.05 0.13 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.22 2cdg s LEU 126 N 0.82 2.38 0.20 3.68 1.43 -0.60 -4.99 118.68 121.59 2cdg s LEU 126 Ca 0.14 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2cdg s LEU 126 Cb -0.13 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2cdg s LEU 126 CO 0.04 0.24 0.36 -0.13 0.23 0.00 0.00 176.35 177.10 2cdg s ARG 127 N -0.12 3.49 0.17 1.70 0.52 -1.26 -2.26 118.95 121.19 2cdg s ARG 127 Ca -0.03 -0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 54.41 2cdg s ARG 127 Cb -0.14 -2.87 -0.09 0.00 0.52 0.00 0.00 34.95 32.37 2cdg s ARG 127 CO 0.04 0.43 1.35 0.34 0.02 0.00 0.00 175.30 177.47 2cdg s ASP 128 N -3.32 6.85 0.35 0.23 2.15 -1.18 -4.93 116.67 116.82 2cdg s ASP 128 Ca 0.37 2.40 0.02 0.00 0.43 0.00 0.00 52.55 55.77 2cdg s ASP 128 Cb -0.11 -2.60 0.64 0.00 -0.30 0.00 0.00 42.92 40.55 2cdg s ASP 128 CO 0.29 -0.59 2.01 0.28 -0.17 0.00 0.00 175.17 176.99 2cdg h SER 129 N 5.85 0.73 -3.52 -0.34 0.02 -1.96 -3.41 113.55 110.91 2cdg h SER 129 Ca -0.44 -0.02 -0.52 0.00 -0.84 0.00 0.00 61.79 59.97 2cdg h SER 129 Cb 1.21 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 2cdg h SER 129 CO 0.81 0.53 0.33 -0.75 -1.14 0.00 0.00 176.83 176.60 2cdg s LYS 130 N -5.73 4.65 -0.84 3.45 2.20 -1.26 -4.93 119.74 117.28 2cdg s LYS 130 Ca -0.10 1.39 -0.25 0.00 -0.36 0.00 0.00 55.97 56.64 2cdg s LYS 130 Cb 0.18 -3.39 -0.19 0.00 -1.51 0.00 0.00 37.83 32.92 2cdg s LYS 130 CO 0.77 0.18 2.50 0.45 -0.36 0.00 0.00 175.35 178.88 2cdg n SER 131 N 2.97 0.71 -2.87 1.43 2.88 -1.26 -4.78 113.62 112.70 2cdg n SER 131 Ca 0.02 -0.32 -0.12 0.00 -1.33 0.00 0.00 58.87 57.13 2cdg n SER 131 Cb 0.50 -1.12 -0.00 0.00 -0.75 0.00 0.00 64.21 62.83 2cdg n SER 131 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cdg n SER 132 N 12.05 -1.77 -0.64 -3.46 3.41 -1.26 -5.06 113.62 116.89 2cdg n SER 132 Ca 0.56 -2.73 0.06 0.00 -0.26 0.00 0.00 58.87 56.50 2cdg n SER 132 Cb 0.23 3.09 0.13 0.00 -0.26 0.00 0.00 64.21 67.41 2cdg n SER 132 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2cdg n ASP 133 N -1.57 2.67 -4.77 4.04 9.92 -1.26 -4.82 116.55 120.76 2cdg n ASP 133 Ca -0.04 -1.82 -0.38 0.00 -0.53 0.00 0.00 54.79 52.03 2cdg n ASP 133 Cb 0.58 -0.16 -0.00 0.00 -0.64 0.00 0.00 41.12 40.89 2cdg n ASP 133 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2cdg s LYS 134 N -1.02 3.76 0.14 -1.24 1.02 -1.26 -4.99 119.74 116.15 2cdg s LYS 134 Ca 0.22 1.89 -0.09 0.00 0.02 0.00 0.00 55.97 58.01 2cdg s LYS 134 Cb 0.12 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2cdg s LYS 134 CO 0.17 -0.58 0.26 -1.54 -0.92 0.00 0.00 175.35 172.73 2cdg s SER 135 N -1.20 0.06 0.25 2.83 1.04 -1.26 -3.11 113.70 112.31 2cdg s SER 135 Ca 0.63 -0.81 0.06 0.00 0.48 0.00 0.00 55.95 56.30 2cdg s SER 135 Cb -0.31 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.16 2cdg s SER 135 CO 0.39 -0.85 -0.05 0.68 0.98 0.00 0.00 173.24 174.38 2cdg s VAL 136 N -3.94 1.45 -0.06 5.02 -7.23 -0.96 -4.64 120.40 110.05 2cdg s VAL 136 Ca 0.14 -2.10 0.02 0.00 -1.81 0.00 0.00 61.98 58.23 2cdg s VAL 136 Cb 0.04 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 2cdg s VAL 136 CO -0.03 -0.37 -0.11 0.00 -0.31 0.00 0.00 175.10 174.29 2cdg s LEU 138 N -0.75 2.67 -0.33 0.00 2.96 0.32 -1.75 118.68 121.80 2cdg s LEU 138 Ca 0.12 -0.99 -0.18 0.00 -0.22 0.00 0.00 54.13 52.86 2cdg s LEU 138 Cb -0.11 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 2cdg s LEU 138 CO 0.01 -0.10 0.49 0.12 -1.32 0.00 0.00 176.35 175.55 2cdg s PHE 139 N 1.24 3.20 0.08 5.38 5.36 -0.75 0.66 117.98 133.15 2cdg s PHE 139 Ca -0.02 0.24 -0.03 0.00 -0.96 0.00 0.00 56.93 56.17 2cdg s PHE 139 Cb -0.16 -2.86 -0.03 0.00 -0.34 0.00 0.00 43.02 39.62 2cdg s PHE 139 CO -0.09 -0.48 0.04 -0.08 -1.46 0.00 0.00 175.22 173.15 2cdg s THR 140 N 2.34 0.17 -1.25 0.12 -1.32 0.92 -1.06 115.64 115.56 2cdg s THR 140 Ca 0.18 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 58.96 2cdg s THR 140 Cb -0.16 -1.62 0.00 0.00 -1.51 0.00 0.00 72.50 69.21 2cdg s THR 140 CO 0.12 -0.79 0.00 0.47 -2.21 0.00 0.00 174.62 172.21 2cdg n ASP 141 N 0.02 -4.33 -4.87 8.08 9.92 -0.55 -1.39 116.55 123.43 2cdg n ASP 141 Ca -0.12 0.15 -0.30 0.00 -0.53 0.00 0.00 54.79 53.98 2cdg n ASP 141 Cb 0.62 -3.26 -0.04 0.00 -0.64 0.00 0.00 41.12 37.81 2cdg n ASP 141 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2cdg s PHE 142 N -2.57 3.46 1.13 1.24 -0.71 -1.26 0.08 117.98 119.34 2cdg s PHE 142 Ca 0.00 1.05 -0.14 0.00 -1.04 0.00 0.00 56.93 56.79 2cdg s PHE 142 Cb 0.00 -2.44 0.25 0.00 -1.21 0.00 0.00 43.02 39.63 2cdg s PHE 142 CO 0.00 -0.06 1.06 0.16 -1.34 0.00 0.00 175.22 175.04 2cdg s ASP 143 N -3.03 1.46 0.00 1.98 -4.77 -1.26 -4.48 116.67 106.57 2cdg s ASP 143 Ca 0.51 1.15 0.28 0.00 -3.30 0.00 0.00 52.55 51.20 2cdg s ASP 143 Cb -0.10 -1.78 1.10 0.00 -1.09 0.00 0.00 42.92 41.05 2cdg s ASP 143 CO 0.29 -3.85 1.77 -1.20 0.70 0.00 0.00 175.17 172.88 2cdg n SER 144 N -4.65 0.91 -2.91 2.11 7.64 -1.26 -3.54 113.62 111.92 2cdg n SER 144 Ca 0.06 -0.99 -0.34 0.00 1.01 0.00 0.00 58.87 58.61 2cdg n SER 144 Cb 0.57 0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.80 2cdg n SER 144 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cdg n GLN 145 N -0.52 3.52 -5.13 1.43 0.00 -1.26 -4.99 117.38 110.43 2cdg n GLN 145 Ca 0.16 -4.26 -0.29 0.00 0.00 0.00 0.00 57.00 52.61 2cdg n GLN 145 Cb 0.31 -2.29 -0.16 0.00 0.00 0.00 0.00 30.24 28.09 2cdg n GLN 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2cdg s THR 146 N -5.00 1.82 -0.21 -0.39 2.01 -1.23 -5.13 115.64 107.51 2cdg s THR 146 Ca 0.48 -0.96 -0.16 0.00 0.31 0.00 0.00 61.69 61.36 2cdg s THR 146 Cb 0.36 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 2cdg s THR 146 CO -0.25 0.51 0.40 0.20 -0.69 0.00 0.00 174.62 174.79 2cdg s ASN 147 N -0.34 6.42 -0.49 3.53 0.02 -1.26 -5.05 114.94 117.76 2cdg s ASN 147 Ca 0.03 0.50 -0.17 0.00 -1.02 0.00 0.00 52.86 52.20 2cdg s ASN 147 Cb -0.11 -2.23 0.07 0.00 0.02 0.00 0.00 41.25 39.00 2cdg s ASN 147 CO 0.01 -0.09 0.50 -0.69 0.02 0.00 0.00 177.10 176.85 2cdg s VAL 148 N 1.40 5.08 -0.06 1.60 1.01 -1.26 -4.94 120.40 123.23 2cdg s VAL 148 Ca 0.19 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 2cdg s VAL 148 Cb -0.15 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 2cdg s VAL 148 CO 0.08 -0.71 1.05 -0.55 0.00 0.00 0.00 175.10 174.97 2cdg s SER 149 N 2.73 7.23 0.61 3.32 0.15 -1.26 -4.98 113.70 121.49 2cdg s SER 149 Ca 0.09 1.65 -0.18 0.00 0.70 0.00 0.00 55.95 58.21 2cdg s SER 149 Cb -0.23 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.47 2cdg s SER 149 CO 0.08 -0.43 0.85 0.00 1.20 0.00 0.00 173.24 174.95 2cdg n GLN 150 N 4.68 0.76 -2.59 5.44 0.00 -1.26 -4.89 117.38 119.51 2cdg n GLN 150 Ca 0.08 0.30 -0.39 0.00 0.00 0.00 0.00 57.00 56.99 2cdg n GLN 150 Cb 0.49 -2.06 -0.05 0.00 0.00 0.00 0.00 30.24 28.62 2cdg n GLN 150 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2cdg s SER 151 N -1.27 7.31 -0.90 2.61 0.15 -1.26 -4.95 113.70 115.39 2cdg s SER 151 Ca 0.75 2.10 -0.02 0.00 0.70 0.00 0.00 55.95 59.48 2cdg s SER 151 Cb -0.42 -2.61 0.34 0.00 -1.71 0.00 0.00 66.02 61.62 2cdg s SER 151 CO 0.48 -0.10 1.97 1.17 1.20 0.00 0.00 173.24 177.97 2cdg n LYS 152 N 1.03 3.56 -3.15 5.44 4.81 -1.26 -4.77 118.16 123.81 2cdg n LYS 152 Ca -0.00 -3.86 0.04 0.00 -0.87 0.00 0.00 58.31 53.62 2cdg n LYS 152 Cb 0.47 -2.33 -0.01 0.00 0.02 0.00 0.00 35.03 33.18 2cdg n LYS 152 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2cdg s ASP 153 N -1.16 -1.11 0.35 3.14 3.68 -1.26 -5.05 116.67 115.26 2cdg s ASP 153 Ca 0.48 0.56 0.25 0.00 2.13 0.00 0.00 52.55 55.97 2cdg s ASP 153 Cb 0.37 1.88 1.25 0.00 -1.45 0.00 0.00 42.92 44.96 2cdg s ASP 153 CO -0.33 -0.21 1.75 0.77 0.13 0.00 0.00 175.17 177.28 2cdg h SER 154 N 7.95 0.00 0.82 -0.34 4.64 -2.04 0.12 113.55 124.69 2cdg h SER 154 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2cdg h SER 154 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2cdg h SER 154 CO 0.12 0.00 -0.28 0.47 -0.87 0.00 0.00 176.83 176.28 2cdg n ASP 155 N -2.36 0.35 -4.32 4.97 8.00 -1.26 -4.78 116.55 117.15 2cdg n ASP 155 Ca -0.01 0.16 -0.35 0.00 0.71 0.00 0.00 54.79 55.30 2cdg n ASP 155 Cb 0.09 -0.14 -0.14 0.00 -0.02 0.00 0.00 41.12 40.91 2cdg n ASP 155 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2cdg s VAL 156 N -3.03 3.52 -0.20 2.53 1.01 0.40 -3.95 120.40 120.68 2cdg s VAL 156 Ca 0.12 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 2cdg s VAL 156 Cb 0.17 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 2cdg s VAL 156 CO 0.63 0.36 0.17 -0.31 0.00 0.00 0.00 175.10 175.95 2cdg s TYR 157 N 1.49 3.40 -0.09 5.22 2.02 -0.73 -4.62 117.35 124.04 2cdg s TYR 157 Ca 0.05 0.37 0.01 0.00 -0.37 0.00 0.00 57.07 57.13 2cdg s TYR 157 Cb -0.15 -2.22 0.02 0.00 -0.40 0.00 0.00 41.96 39.20 2cdg s TYR 157 CO -0.02 0.23 -0.12 0.42 -1.57 0.00 0.00 175.55 174.49 2cdg s ILE 158 N 0.54 1.19 0.84 2.71 1.01 -1.26 -2.00 121.20 124.23 2cdg s ILE 158 Ca 0.10 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 2cdg s ILE 158 Cb -0.12 -1.11 0.10 0.00 0.01 0.00 0.00 42.46 41.33 2cdg s ILE 158 CO 0.01 0.38 1.09 0.42 0.00 0.00 0.00 174.94 176.83 2cdg s THR 159 N 1.03 2.91 1.04 2.92 -4.23 -0.40 -4.86 115.64 114.04 2cdg s THR 159 Ca -0.07 0.30 -0.15 0.00 -1.18 0.00 0.00 61.69 60.59 2cdg s THR 159 Cb -0.15 -2.86 0.21 0.00 1.34 0.00 0.00 72.50 71.05 2cdg s THR 159 CO -0.01 -0.39 1.13 -1.81 -0.54 0.00 0.00 174.62 173.00 2cdg s ASP 160 N -3.55 2.36 0.75 3.99 -0.00 -1.26 -4.66 116.67 114.29 2cdg s ASP 160 Ca 0.62 0.86 -0.12 0.00 -0.00 0.00 0.00 52.55 53.92 2cdg s ASP 160 Cb -0.17 -1.32 0.05 0.00 -0.00 0.00 0.00 42.92 41.48 2cdg s ASP 160 CO 0.56 -3.26 1.10 -0.75 -0.00 0.00 0.00 175.17 172.82 2cdg s LYS 161 N -5.27 2.33 -0.24 8.23 2.20 -1.26 -4.65 119.74 121.09 2cdg s LYS 161 Ca 0.67 1.25 -0.08 0.00 -0.36 0.00 0.00 55.97 57.45 2cdg s LYS 161 Cb -0.13 -1.90 0.10 0.00 -1.51 0.00 0.00 37.83 34.39 2cdg s LYS 161 CO 0.56 -1.59 0.51 0.00 -0.36 0.00 0.00 175.35 174.46 2cdg s VAL 163 N 2.68 5.26 -0.00 0.00 0.11 -1.26 -1.10 120.40 126.08 2cdg s VAL 163 Ca -0.04 0.36 0.03 0.00 -2.93 0.00 0.00 61.98 59.40 2cdg s VAL 163 Cb -0.12 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 31.09 2cdg s VAL 163 CO -0.15 0.22 -0.05 -1.48 -3.33 0.00 0.00 175.10 170.31 2cdg s LEU 164 N 1.77 3.27 -0.18 2.54 0.05 -0.71 -4.99 118.68 120.43 2cdg s LEU 164 Ca 0.11 -0.10 -0.03 0.00 0.05 0.00 0.00 54.13 54.16 2cdg s LEU 164 Cb -0.16 -1.86 -0.01 0.00 -2.05 0.00 0.00 46.19 42.11 2cdg s LEU 164 CO 0.10 0.29 -0.06 -0.62 -0.55 0.00 0.00 176.35 175.50 2cdg s ASP 165 N -1.42 4.32 -0.82 1.48 2.15 -1.26 -2.39 116.67 118.74 2cdg s ASP 165 Ca 0.17 -0.32 -0.02 0.00 0.43 0.00 0.00 52.55 52.81 2cdg s ASP 165 Cb -0.11 -1.71 0.20 0.00 -0.30 0.00 0.00 42.92 41.00 2cdg s ASP 165 CO 0.08 0.07 0.69 -0.04 -0.17 0.00 0.00 175.17 175.79 2cdg s MET 166 N 0.95 3.09 0.27 4.34 -1.94 -0.45 -4.96 119.30 120.61 2cdg s MET 166 Ca -0.01 -3.06 -0.04 0.00 -1.71 0.00 0.00 55.69 50.88 2cdg s MET 166 Cb -0.15 -3.91 0.35 0.00 2.01 0.00 0.00 34.83 33.13 2cdg s MET 166 CO 0.00 -1.24 1.88 -0.09 -0.01 0.00 0.00 175.02 175.57 2cdg h ARG 167 N 6.32 1.08 -0.00 2.03 9.65 -1.97 -2.02 114.38 129.46 2cdg h ARG 167 Ca 0.11 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2cdg h ARG 167 Cb 0.86 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 29.23 2cdg h ARG 167 CO 0.81 0.80 0.01 0.66 2.80 0.00 0.00 179.97 185.06 2cdg h SER 168 N 1.08 0.00 -0.19 -3.80 4.64 -1.93 -1.40 113.55 111.95 2cdg h SER 168 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2cdg h SER 168 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2cdg h SER 168 CO -0.04 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.15 2cdg n MET 169 N -3.45 1.70 -3.79 4.77 2.81 -0.78 -5.00 117.12 113.38 2cdg n MET 169 Ca -0.03 -1.67 -0.30 0.00 -1.81 0.00 0.00 57.70 53.89 2cdg n MET 169 Cb 0.09 -1.29 0.02 0.00 -0.71 0.00 0.00 33.22 31.33 2cdg n MET 169 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2cdg n ASP 170 N 0.76 -3.36 -3.80 7.83 2.03 -0.53 -4.96 116.55 114.53 2cdg n ASP 170 Ca 0.11 -1.02 -0.13 0.00 0.52 0.00 0.00 54.79 54.27 2cdg n ASP 170 Cb 0.39 -3.23 -0.11 0.00 -0.72 0.00 0.00 41.12 37.45 2cdg n ASP 170 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2cdg s PHE 171 N -3.64 -0.22 0.11 -0.67 2.19 -1.12 -5.06 117.98 109.57 2cdg s PHE 171 Ca 0.29 0.52 0.04 0.00 0.33 0.00 0.00 56.93 58.11 2cdg s PHE 171 Cb -0.11 0.07 -0.04 0.00 -1.31 0.00 0.00 43.02 41.63 2cdg s PHE 171 CO 0.87 -0.16 -0.09 0.15 1.83 0.00 0.00 175.22 177.82 2cdg s LYS 172 N -0.14 0.92 -0.06 10.12 1.02 -1.26 -1.34 119.74 128.99 2cdg s LYS 172 Ca -0.03 -1.29 -0.23 0.00 0.02 0.00 0.00 55.97 54.44 2cdg s LYS 172 Cb -0.03 -0.49 0.05 0.00 -0.52 0.00 0.00 37.83 36.84 2cdg s LYS 172 CO 0.01 0.06 0.53 -1.54 -0.92 0.00 0.00 175.35 173.48 2cdg s SER 173 N -2.81 -0.48 0.25 2.83 1.04 -1.00 -4.88 113.70 108.64 2cdg s SER 173 Ca 0.11 0.55 -0.06 0.00 0.48 0.00 0.00 55.95 57.02 2cdg s SER 173 Cb 0.01 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.61 2cdg s SER 173 CO -0.01 -0.49 0.52 0.20 0.98 0.00 0.00 173.24 174.44 2cdg s ASN 174 N -1.03 6.49 0.07 7.02 0.01 -1.26 -1.74 114.94 124.51 2cdg s ASN 174 Ca -0.10 0.74 -0.11 0.00 -0.71 0.00 0.00 52.86 52.67 2cdg s ASN 174 Cb -0.02 -2.15 0.01 0.00 0.41 0.00 0.00 41.25 39.49 2cdg s ASN 174 CO 0.07 -0.12 0.24 -0.94 -1.51 0.00 0.00 177.10 174.83 2cdg s SER 175 N -2.86 0.00 0.02 -1.22 1.04 -0.26 -1.48 113.70 108.93 2cdg s SER 175 Ca 0.44 -0.44 -0.05 0.00 0.48 0.00 0.00 55.95 56.38 2cdg s SER 175 Cb -0.11 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 2cdg s SER 175 CO 0.27 -0.68 0.08 0.00 0.98 0.00 0.00 173.24 173.89 2cdg s ALA 176 N -3.26 -0.15 0.05 5.32 0.00 -0.22 -0.97 121.76 122.53 2cdg s ALA 176 Ca 0.00 -0.36 0.08 0.00 0.00 0.00 0.00 51.96 51.68 2cdg s ALA 176 Cb 0.02 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 2cdg s ALA 176 CO -0.08 -0.22 -0.20 0.08 0.00 0.00 0.00 175.76 175.34 2cdg s VAL 177 N -1.71 2.63 -0.02 0.00 1.01 -1.26 -1.81 120.40 119.23 2cdg s VAL 177 Ca -0.13 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.61 2cdg s VAL 177 Cb -0.07 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.24 2cdg s VAL 177 CO -0.01 0.33 -0.02 0.00 0.00 0.00 0.00 175.10 175.41 2cdg s ALA 178 N -0.90 0.36 0.08 5.51 0.00 -0.72 -1.28 121.76 124.81 2cdg s ALA 178 Ca 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 2cdg s ALA 178 Cb -0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 2cdg s ALA 178 CO 0.05 -0.01 0.03 1.67 0.00 0.00 0.00 175.76 177.50 2cdg s TRP 179 N 0.63 0.57 0.27 0.00 -2.14 -0.85 -0.16 118.94 117.26 2cdg s TRP 179 Ca -0.07 -1.05 0.03 0.00 2.66 0.00 0.00 56.10 57.68 2cdg s TRP 179 Cb -0.10 -0.36 -0.04 0.00 -3.10 0.00 0.00 33.47 29.87 2cdg s TRP 179 CO -0.01 -0.45 0.19 0.45 -2.66 0.00 0.00 176.95 174.47 2cdg s SER 180 N -2.95 1.05 0.00 -2.66 0.15 -1.26 -1.77 113.70 106.26 2cdg s SER 180 Ca 0.12 -1.57 0.12 0.00 0.70 0.00 0.00 55.95 55.33 2cdg s SER 180 Cb 0.07 0.45 0.03 0.00 -1.71 0.00 0.00 66.02 64.85 2cdg s SER 180 CO -0.06 -0.93 0.76 -0.46 1.20 0.00 0.00 173.24 173.75 2cdg n ASN 181 N -0.90 1.55 -4.74 5.45 2.04 -1.25 -4.91 115.26 112.50 2cdg n ASN 181 Ca 0.04 -1.28 -0.35 0.00 -0.44 0.00 0.00 54.58 52.55 2cdg n ASN 181 Cb 0.64 0.34 0.07 0.00 -2.53 0.00 0.00 39.78 38.30 2cdg n ASN 181 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 2cdg s LYS 182 N -1.41 2.51 0.31 -3.83 -0.14 -1.26 -5.00 119.74 110.92 2cdg s LYS 182 Ca 0.11 1.84 -0.28 0.00 -1.36 0.00 0.00 55.97 56.29 2cdg s LYS 182 Cb 0.10 -1.87 -0.09 0.00 -1.68 0.00 0.00 37.83 34.29 2cdg s LYS 182 CO 0.26 -1.57 1.03 -1.12 -0.76 0.00 0.00 175.35 173.20 2cdg s SER 183 N -1.76 7.21 -1.64 2.83 0.01 -1.26 -3.86 113.70 115.24 2cdg s SER 183 Ca 0.77 2.09 0.00 0.00 1.31 0.00 0.00 55.95 60.12 2cdg s SER 183 Cb -0.31 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.31 2cdg s SER 183 CO 0.40 -0.17 0.00 0.47 0.41 0.00 0.00 173.24 174.35 2cdg n ASP 184 N 0.82 -4.91 -4.58 2.44 10.43 -1.26 -4.92 116.55 114.57 2cdg n ASP 184 Ca 0.01 0.31 -0.41 0.00 2.57 0.00 0.00 54.79 57.26 2cdg n ASP 184 Cb 0.47 -3.88 -0.03 0.00 1.84 0.00 0.00 41.12 39.53 2cdg n ASP 184 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 2cdg s PHE 185 N -2.65 1.41 0.21 1.24 5.36 -1.25 -4.97 117.98 117.33 2cdg s PHE 185 Ca 0.00 0.80 -0.22 0.00 -0.96 0.00 0.00 56.93 56.54 2cdg s PHE 185 Cb 0.00 -3.94 -0.08 0.00 -0.34 0.00 0.00 43.02 38.66 2cdg s PHE 185 CO 0.00 -3.22 0.76 0.00 -1.46 0.00 0.00 175.22 171.29 2cdg s ALA 186 N 8.71 3.41 -1.07 11.12 0.00 -1.26 -4.97 121.76 137.71 2cdg s ALA 186 Ca 0.90 0.27 0.28 0.00 0.00 0.00 0.00 51.96 53.41 2cdg s ALA 186 Cb -0.24 -2.90 1.12 0.00 0.00 0.00 0.00 23.12 21.10 2cdg s ALA 186 CO 0.31 0.30 1.83 0.00 0.00 0.00 0.00 175.76 178.21 2cdg n ALA 188 N -1.45 0.83 0.00 0.00 0.00 -1.26 -3.27 120.51 115.35 2cdg n ALA 188 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2cdg n ALA 188 Cb 0.33 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2cdg n ALA 188 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2cdg n ASN 189 N -1.51 0.00 -4.57 0.00 3.02 -1.26 -4.98 115.26 105.96 2cdg n ASN 189 Ca -0.00 0.00 -0.53 0.00 -0.03 0.00 0.00 54.58 54.02 2cdg n ASN 189 Cb 0.10 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 2cdg n ASN 189 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cdg n ALA 190 N -0.12 -1.42 0.00 5.41 0.00 -1.20 -1.31 120.51 121.87 2cdg n ALA 190 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2cdg n ALA 190 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.43 2cdg n ALA 190 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2cdg n PHE 191 N 2.29 0.00 -1.36 0.00 3.72 -1.26 -5.01 117.46 115.84 2cdg n PHE 191 Ca 0.18 0.00 -0.53 0.00 -0.05 0.00 0.00 57.45 57.05 2cdg n PHE 191 Cb 0.18 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.61 2cdg n PHE 191 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2cdg n ASN 192 N 0.79 1.15 0.00 4.37 5.15 -0.42 -4.65 115.26 121.64 2cdg n ASN 192 Ca 0.00 0.47 0.12 0.00 -0.60 0.00 0.00 54.58 54.57 2cdg n ASN 192 Cb 0.00 -1.04 0.69 0.00 -0.53 0.00 0.00 39.78 38.90 2cdg n ASN 192 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25