#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2guj n GLN 6 N 0.00 1.77 -0.12 0.00 -0.06 -1.26 -4.00 117.38 113.71 2guj n GLN 6 Ca 0.00 -1.13 -0.00 0.00 -2.00 0.00 0.00 57.00 53.87 2guj n GLN 6 Cb 0.00 -1.46 0.00 0.00 -4.06 0.00 0.00 30.24 24.72 2guj n GLN 6 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2guj n ASN 7 N 0.36 3.49 -4.39 1.69 4.05 -1.26 -4.83 115.26 114.36 2guj n ASN 7 Ca 0.18 -2.11 -0.27 0.00 0.45 0.00 0.00 54.58 52.83 2guj n ASN 7 Cb 0.38 -0.63 0.15 0.00 1.23 0.00 0.00 39.78 40.91 2guj n ASN 7 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2guj s THR 8 N -0.06 2.06 -0.28 -0.44 -1.32 -1.26 -3.63 115.64 110.72 2guj s THR 8 Ca 0.01 -0.26 -0.22 0.00 -1.21 0.00 0.00 61.69 60.01 2guj s THR 8 Cb 0.01 -2.81 0.11 0.00 -1.51 0.00 0.00 72.50 68.30 2guj s THR 8 CO 0.00 0.00 0.92 -0.51 -2.21 0.00 0.00 174.62 172.82 2guj s ILE 9 N -3.56 0.00 0.13 5.08 2.07 -1.13 -4.88 121.20 118.92 2guj s ILE 9 Ca 0.70 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.74 2guj s ILE 9 Cb -0.05 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.60 2guj s ILE 9 CO 0.49 0.00 0.51 -0.94 -1.91 0.00 0.00 174.94 173.09 2guj s SER 10 N 0.68 -0.41 -0.13 4.50 1.04 -1.26 0.27 113.70 118.38 2guj s SER 10 Ca -0.02 -0.11 -0.16 0.00 0.48 0.00 0.00 55.95 56.15 2guj s SER 10 Cb -0.05 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.65 2guj s SER 10 CO -0.09 -0.89 0.43 -0.83 0.98 0.00 0.00 173.24 172.85 2guj s GLY 11 N -2.67 -0.31 1.28 7.32 0.00 -0.91 -2.29 107.32 109.75 2guj s GLY 11 Ca 0.01 1.08 -0.18 0.00 0.00 0.00 0.00 44.72 45.62 2guj s GLY 11 CO -0.11 0.89 1.00 0.54 0.00 0.00 0.00 173.10 175.42 2guj s LYS 12 N -0.13 -1.85 0.00 2.90 -0.14 0.01 -3.21 119.74 117.32 2guj s LYS 12 Ca -0.03 0.32 0.00 0.00 -1.36 0.00 0.00 55.97 54.90 2guj s LYS 12 Cb -0.03 -1.49 0.00 0.00 -1.68 0.00 0.00 37.83 34.63 2guj s LYS 12 CO 0.02 -4.21 0.00 0.39 -0.76 0.00 0.00 175.35 170.79 2guj n GLU 13 N -5.18 0.00 -4.29 1.68 1.02 -1.26 -2.94 120.64 109.66 2guj n GLU 13 Ca 0.09 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.06 2guj n GLU 13 Cb 0.58 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.91 2guj n GLU 13 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2guj s GLY 14 N 0.00 1.89 -0.01 0.62 0.00 0.17 -3.21 107.32 106.77 2guj s GLY 14 Ca 0.00 -1.80 0.01 0.00 0.00 0.00 0.00 44.72 42.93 2guj s GLY 14 CO 0.00 -1.52 -0.02 0.50 0.00 0.00 0.00 173.10 172.06 2guj s ARG 15 N -3.89 0.25 -0.12 2.90 3.00 -0.92 -1.17 118.95 119.01 2guj s ARG 15 Ca 0.37 -0.05 -0.02 0.00 0.00 0.00 0.00 55.73 56.03 2guj s ARG 15 Cb 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 34.95 34.67 2guj s ARG 15 CO 0.17 -0.00 -0.02 -0.48 0.00 0.00 0.00 175.30 174.96 2guj s LEU 16 N 0.28 3.37 -0.14 2.53 2.34 -1.22 0.16 118.68 126.01 2guj s LEU 16 Ca -0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 54.13 54.15 2guj s LEU 16 Cb -0.05 -1.79 -0.02 0.00 -0.56 0.00 0.00 46.19 43.78 2guj s LEU 16 CO -0.01 0.27 -0.12 -0.36 -1.06 0.00 0.00 176.35 175.08 2guj s PHE 17 N -0.24 2.84 -0.50 3.48 0.40 0.39 -4.27 117.98 120.08 2guj s PHE 17 Ca 0.05 -0.61 -0.16 0.00 -0.60 0.00 0.00 56.93 55.60 2guj s PHE 17 Cb -0.13 -1.87 0.08 0.00 0.51 0.00 0.00 43.02 41.62 2guj s PHE 17 CO 0.02 -0.20 0.47 -1.17 0.70 0.00 0.00 175.22 175.04 2guj s LEU 18 N 0.38 5.60 -0.46 -0.37 0.20 0.37 -2.02 118.68 122.38 2guj s LEU 18 Ca -0.10 -1.34 0.00 0.00 0.69 0.00 0.00 54.13 53.38 2guj s LEU 18 Cb -0.16 -2.24 0.00 0.00 -0.43 0.00 0.00 46.19 43.37 2guj s LEU 18 CO 0.05 -0.75 0.00 -0.67 -0.29 0.00 0.00 176.35 174.69 2guj n ASP 19 N 5.43 -2.05 0.00 3.68 -0.08 -1.26 -1.41 116.55 120.86 2guj n ASP 19 Ca -0.12 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 2guj n ASP 19 Cb 0.43 -1.90 0.00 0.00 2.34 0.00 0.00 41.12 41.99 2guj n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2guj n GLY 20 N -0.52 1.96 3.72 0.27 0.00 -1.26 -5.10 105.19 104.25 2guj n GLY 20 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2guj n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2guj s GLU 21 N 0.00 4.19 1.03 1.61 2.02 -0.50 -5.05 118.70 122.00 2guj s GLU 21 Ca 0.00 -0.15 -0.14 0.00 0.02 0.00 0.00 54.97 54.70 2guj s GLU 21 Cb 0.00 -3.44 0.20 0.00 0.10 0.00 0.00 34.13 30.99 2guj s GLU 21 CO 0.00 0.24 1.12 -2.00 0.02 0.00 0.00 175.26 174.65 2guj s GLU 22 N 0.51 0.19 -0.35 1.61 2.12 -1.26 -0.48 118.70 121.05 2guj s GLU 22 Ca 0.10 0.23 -0.42 0.00 0.36 0.00 0.00 54.97 55.24 2guj s GLU 22 Cb -0.12 -1.73 -0.17 0.00 0.26 0.00 0.00 34.13 32.37 2guj s GLU 22 CO 0.00 -2.83 1.73 0.00 -0.54 0.00 0.00 175.26 173.62 2guj n ALA 24 N -4.19 -0.47 -2.63 6.30 0.00 -1.26 -4.91 120.51 113.35 2guj n ALA 24 Ca 0.08 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.50 2guj n ALA 24 Cb 0.59 -2.15 -0.01 0.00 0.00 0.00 0.00 19.45 17.88 2guj n ALA 24 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2guj s HIS 25 N 3.56 2.81 -0.05 0.00 0.09 -1.26 -3.38 115.29 117.05 2guj s HIS 25 Ca 1.01 -1.48 -0.30 0.00 -0.00 0.00 0.00 55.06 54.30 2guj s HIS 25 Cb -1.20 -4.68 -0.04 0.00 -0.00 0.00 0.00 32.58 26.67 2guj s HIS 25 CO 0.70 -1.78 1.27 -1.50 -0.00 0.00 0.00 174.74 173.43 2guj s ILE 26 N 4.07 4.09 0.00 0.60 2.07 -0.32 -2.58 121.20 129.13 2guj s ILE 26 Ca 0.50 1.42 0.00 0.00 -1.41 0.00 0.00 60.65 61.16 2guj s ILE 26 Cb 0.02 -3.91 0.00 0.00 0.13 0.00 0.00 42.46 38.70 2guj s ILE 26 CO 0.02 -0.02 0.00 1.17 -1.91 0.00 0.00 174.94 174.20 2guj n LYS 27 N 5.47 3.64 -1.55 3.50 3.00 -0.82 0.44 118.16 131.85 2guj n LYS 27 Ca 0.12 0.00 -0.57 0.00 -0.00 0.00 0.00 58.31 57.86 2guj n LYS 27 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.41 2guj n LYS 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 2guj n THR 28 N 0.00 0.01 -3.98 3.15 5.66 -1.26 -4.28 114.28 113.58 2guj n THR 28 Ca 0.00 -0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 2guj n THR 28 Cb 0.00 -0.35 -0.11 0.00 -1.55 0.00 0.00 70.33 68.32 2guj n THR 28 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2guj s PHE 29 N 0.35 0.26 -0.21 1.09 -0.12 -1.20 -1.42 117.98 116.74 2guj s PHE 29 Ca 0.89 -0.53 -0.04 0.00 -0.05 0.00 0.00 56.93 57.20 2guj s PHE 29 Cb -1.16 -0.19 0.10 0.00 -0.63 0.00 0.00 43.02 41.14 2guj s PHE 29 CO 0.54 -0.19 0.25 -2.00 -0.05 0.00 0.00 175.22 173.77 2guj s GLU 30 N -1.50 0.22 0.15 1.99 2.12 0.10 -2.13 118.70 119.65 2guj s GLU 30 Ca -0.16 0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.48 2guj s GLU 30 Cb -0.10 -0.99 0.03 0.00 0.26 0.00 0.00 34.13 33.33 2guj s GLU 30 CO -0.01 -0.63 0.21 0.00 -0.54 0.00 0.00 175.26 174.29 2guj n ALA 31 N 5.33 0.12 -3.28 6.30 0.00 0.14 -1.84 120.51 127.28 2guj n ALA 31 Ca -0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 53.44 52.87 2guj n ALA 31 Cb 0.50 0.09 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 2guj n ALA 31 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2guj s ASN 32 N -1.87 -0.28 -0.03 0.00 0.01 0.01 -2.82 114.94 109.96 2guj s ASN 32 Ca 0.14 -1.14 -0.34 0.00 -0.71 0.00 0.00 52.86 50.81 2guj s ASN 32 Cb -0.01 1.31 -0.12 0.00 0.41 0.00 0.00 41.25 42.84 2guj s ASN 32 CO 0.09 -0.21 1.82 1.33 -1.51 0.00 0.00 177.10 178.62 2guj n VAL 33 N 4.35 0.47 -2.34 1.60 0.24 -1.24 -3.24 118.33 118.17 2guj n VAL 33 Ca 0.11 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.34 61.91 2guj n VAL 33 Cb 0.51 -1.82 -0.03 0.00 -1.47 0.00 0.00 33.84 31.03 2guj n VAL 33 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2guj s GLU 34 N 3.42 4.39 -0.90 7.34 2.12 -0.97 -4.93 118.70 129.17 2guj s GLU 34 Ca 0.90 1.86 -0.13 0.00 0.36 0.00 0.00 54.97 57.96 2guj s GLU 34 Cb -0.68 -3.34 0.22 0.00 0.26 0.00 0.00 34.13 30.60 2guj s GLU 34 CO 0.48 -0.33 0.88 0.21 -0.54 0.00 0.00 175.26 175.96 2guj s LYS 35 N 1.18 3.74 -0.07 4.30 2.20 -1.26 -4.85 119.74 124.98 2guj s LYS 35 Ca 0.61 -2.57 0.04 0.00 -0.36 0.00 0.00 55.97 53.68 2guj s LYS 35 Cb -0.31 -4.51 -0.02 0.00 -1.51 0.00 0.00 37.83 31.48 2guj s LYS 35 CO 0.29 -1.33 -0.18 1.21 -0.36 0.00 0.00 175.35 174.98 2guj s ASN 36 N 2.11 3.65 0.71 1.43 2.47 -1.26 -5.07 114.94 118.98 2guj s ASN 36 Ca 0.22 -0.34 0.00 0.00 0.42 0.00 0.00 52.86 53.16 2guj s ASN 36 Cb -0.09 -0.97 0.00 0.00 -1.45 0.00 0.00 41.25 38.73 2guj s ASN 36 CO -0.09 0.27 0.00 0.29 -3.72 0.00 0.00 177.10 173.86 2guj n LYS 37 N 2.78 0.00 -1.93 0.43 5.02 -1.26 -4.23 118.16 118.97 2guj n LYS 37 Ca -0.17 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.88 2guj n LYS 37 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.46 2guj n LYS 37 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2guj s SER 38 N -4.00 4.60 -0.33 4.39 1.04 -1.26 -4.72 113.70 113.42 2guj s SER 38 Ca 0.00 -1.29 -0.04 0.00 0.48 0.00 0.00 55.95 55.11 2guj s SER 38 Cb 0.00 -2.59 0.19 0.00 0.10 0.00 0.00 66.02 63.72 2guj s SER 38 CO 0.00 -3.48 0.88 -0.70 0.98 0.00 0.00 173.24 170.92 2guj s GLU 39 N 7.13 0.37 0.00 4.02 2.56 -1.26 -5.11 118.70 126.41 2guj s GLU 39 Ca 0.73 0.03 0.00 0.00 0.00 0.00 0.00 54.97 55.73 2guj s GLU 39 Cb -0.03 0.08 0.00 0.00 2.00 0.00 0.00 34.13 36.18 2guj s GLU 39 CO 0.12 -0.59 0.00 1.55 -0.56 0.00 0.00 175.26 175.78 2guj n VAL 40 N 4.46 0.00 -3.89 3.70 3.14 -1.26 -4.26 118.33 120.22 2guj n VAL 40 Ca 0.08 0.39 -0.31 0.00 -2.96 0.00 0.00 64.34 61.53 2guj n VAL 40 Cb 0.59 -0.87 -0.13 0.00 -1.06 0.00 0.00 33.84 32.38 2guj n VAL 40 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2guj s ASN 41 N -2.86 4.61 0.00 6.55 3.04 -1.26 -5.05 114.94 119.97 2guj s ASN 41 Ca 0.00 -3.12 0.00 0.00 0.04 0.00 0.00 52.86 49.78 2guj s ASN 41 Cb 0.00 -1.69 0.00 0.00 -1.54 0.00 0.00 41.25 38.02 2guj s ASN 41 CO 0.00 -0.24 0.17 -0.38 -3.04 0.00 0.00 177.10 173.62 2guj n ILE 42 N 3.01 0.00 0.00 -5.21 5.41 -1.26 -3.37 119.36 117.94 2guj n ILE 42 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 2guj n ILE 42 Cb 0.34 -0.69 0.00 0.00 -0.71 0.00 0.00 39.64 38.58 2guj n ILE 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2guj n GLY 44 N -0.64 0.00 2.93 7.39 0.00 -1.26 -3.96 105.19 109.65 2guj n GLY 44 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2guj n GLY 44 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2guj n ARG 45 N 0.00 4.43 -0.51 1.61 1.85 -1.22 -3.45 116.66 119.38 2guj n ARG 45 Ca 0.00 -4.58 -0.00 0.00 -1.00 0.00 0.00 57.85 52.27 2guj n ARG 45 Cb 0.00 -2.49 -0.00 0.00 -1.05 0.00 0.00 32.46 28.92 2guj n ARG 45 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2guj n ARG 46 N 1.16 0.00 -0.92 2.89 3.00 -1.25 -4.39 116.66 117.15 2guj n ARG 46 Ca 0.28 -0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 2guj n ARG 46 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 32.46 32.74 2guj n ARG 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2guj n THR 48 N 0.00 0.00 0.00 5.15 5.66 -1.22 -4.69 114.28 119.18 2guj n THR 48 Ca -0.00 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 2guj n THR 48 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 2guj n THR 48 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2guj n GLY 49 N 3.63 3.39 3.70 1.09 0.00 -1.26 -5.08 105.19 110.65 2guj n GLY 49 Ca 0.00 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 2guj n GLY 49 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2guj s HIS 50 N -2.00 3.49 0.27 1.61 2.46 -1.26 -4.98 115.29 114.88 2guj s HIS 50 Ca 0.00 1.06 -0.05 0.00 0.47 0.00 0.00 55.06 56.54 2guj s HIS 50 Cb 0.00 -2.75 0.02 0.00 -0.13 0.00 0.00 32.58 29.72 2guj s HIS 50 CO 0.00 0.01 0.44 0.36 -2.47 0.00 0.00 174.74 173.08 2guj n LYS 51 N 4.22 0.64 -1.70 2.88 2.85 -1.26 -4.95 118.16 120.84 2guj n LYS 51 Ca -0.02 -1.95 -0.38 0.00 -1.05 0.00 0.00 58.31 54.91 2guj n LYS 51 Cb 0.51 2.04 0.06 0.00 -0.65 0.00 0.00 35.03 36.99 2guj n LYS 51 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2guj n THR 52 N -0.42 4.38 0.51 0.58 5.66 -1.26 -4.78 114.28 118.94 2guj n THR 52 Ca -0.02 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 2guj n THR 52 Cb 0.44 -1.44 0.00 0.00 -1.55 0.00 0.00 70.33 67.78 2guj n THR 52 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2guj n THR 53 N -1.66 0.00 0.00 1.09 -1.04 -1.26 -4.47 114.28 106.95 2guj n THR 53 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2guj n THR 53 Cb 0.47 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 2guj n THR 53 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2guj n GLY 54 N 0.22 -1.82 2.40 3.41 0.00 -1.26 -4.72 105.19 103.42 2guj n GLY 54 Ca 0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 2guj n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2guj n ALA 55 N -3.00 -0.53 -1.52 4.61 0.00 -1.26 -4.11 120.51 114.71 2guj n ALA 55 Ca 0.00 0.20 -0.33 0.00 0.00 0.00 0.00 53.44 53.31 2guj n ALA 55 Cb 0.00 -1.90 0.05 0.00 0.00 0.00 0.00 19.45 17.59 2guj n ALA 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2guj s ASN 56 N -2.22 5.15 0.02 0.00 2.20 -1.22 -3.48 114.94 115.38 2guj s ASN 56 Ca 0.00 1.97 -0.11 0.00 -0.94 0.00 0.00 52.86 53.78 2guj s ASN 56 Cb 0.00 -2.55 0.04 0.00 -2.00 0.00 0.00 41.25 36.74 2guj s ASN 56 CO 0.00 -1.60 0.50 0.61 -2.94 0.00 0.00 177.10 173.67 2guj n GLY 57 N -0.63 0.64 3.55 0.45 0.00 -1.03 -2.30 105.19 105.87 2guj n GLY 57 Ca 0.10 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 2guj n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2guj s THR 58 N -2.18 1.77 0.00 2.61 2.01 -1.20 -3.31 115.64 115.33 2guj s THR 58 Ca 0.12 -2.03 0.00 0.00 0.31 0.00 0.00 61.69 60.08 2guj s THR 58 Cb -0.01 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.64 2guj s THR 58 CO 0.01 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 2guj n GLY 59 N -0.84 1.19 3.35 4.40 0.00 -0.72 -0.81 105.19 111.76 2guj n GLY 59 Ca -0.04 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 2guj n GLY 59 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2guj s THR 60 N -2.37 0.05 -0.05 2.61 -1.32 -0.77 -2.85 115.64 110.94 2guj s THR 60 Ca 0.00 -0.39 -0.29 0.00 -1.21 0.00 0.00 61.69 59.80 2guj s THR 60 Cb 0.00 -1.06 0.11 0.00 -1.51 0.00 0.00 72.50 70.03 2guj s THR 60 CO 0.00 -0.22 0.89 0.00 -2.21 0.00 0.00 174.62 173.09 2guj s ALA 61 N -3.28 -1.84 -0.06 11.08 0.00 -0.42 0.03 121.76 127.28 2guj s ALA 61 Ca -0.01 1.19 0.06 0.00 0.00 0.00 0.00 51.96 53.20 2guj s ALA 61 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 2guj s ALA 61 CO -0.08 -0.56 -0.24 0.95 0.00 0.00 0.00 175.76 175.83 2guj s THR 62 N -2.41 2.17 0.43 0.00 -4.23 -0.51 -0.53 115.64 110.56 2guj s THR 62 Ca 0.02 -1.03 -0.14 0.00 -1.18 0.00 0.00 61.69 59.36 2guj s THR 62 Cb -0.01 -1.79 -0.08 0.00 1.34 0.00 0.00 72.50 71.97 2guj s THR 62 CO -0.05 0.57 0.85 -0.36 -0.54 0.00 0.00 174.62 175.10 2guj s PHE 63 N -0.22 3.44 -0.05 3.99 0.40 -1.26 -1.94 117.98 122.34 2guj s PHE 63 Ca -0.02 1.25 -0.04 0.00 -0.60 0.00 0.00 56.93 57.53 2guj s PHE 63 Cb -0.13 -2.60 -0.01 0.00 0.51 0.00 0.00 43.02 40.78 2guj s PHE 63 CO 0.03 -0.17 -0.07 0.98 0.70 0.00 0.00 175.22 176.69 2guj n TYR 64 N -1.21 0.27 -4.42 0.36 9.36 -1.06 -4.68 117.16 115.78 2guj n TYR 64 Ca 0.04 0.12 -0.25 0.00 3.32 0.00 0.00 57.90 61.13 2guj n TYR 64 Cb 0.54 -0.38 -0.11 0.00 -0.63 0.00 0.00 39.34 38.75 2guj n TYR 64 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 2guj s LYS 65 N -1.47 1.51 -0.20 2.98 -2.85 -1.25 -5.04 119.74 113.41 2guj s LYS 65 Ca -0.06 -1.56 -0.00 0.00 -1.00 0.00 0.00 55.97 53.34 2guj s LYS 65 Cb 0.01 -1.72 0.05 0.00 -2.06 0.00 0.00 37.83 34.11 2guj s LYS 65 CO 0.09 0.36 -0.04 0.08 0.10 0.00 0.00 175.35 175.94 2guj s VAL 66 N -1.95 1.19 -0.00 1.79 1.01 -1.26 -4.30 120.40 116.88 2guj s VAL 66 Ca 0.22 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 2guj s VAL 66 Cb -0.07 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2guj s VAL 66 CO 0.10 -0.04 1.23 0.28 0.00 0.00 0.00 175.10 176.67 2guj s THR 67 N 1.57 4.09 0.24 3.92 -1.32 -1.26 -4.90 115.64 117.97 2guj s THR 67 Ca -0.03 1.46 -0.10 0.00 -1.21 0.00 0.00 61.69 61.81 2guj s THR 67 Cb -0.17 -3.94 0.30 0.00 -1.51 0.00 0.00 72.50 67.18 2guj s THR 67 CO -0.07 0.04 1.61 0.28 -2.21 0.00 0.00 174.62 174.28 2guj h SER 68 N 7.25 -0.61 -0.62 8.08 0.02 -1.99 0.37 113.55 126.04 2guj h SER 68 Ca -0.38 0.22 0.09 0.00 -0.84 0.00 0.00 61.79 60.88 2guj h SER 68 Cb 1.19 0.43 -0.11 0.00 0.14 0.00 0.00 62.40 64.05 2guj h SER 68 CO 0.86 -0.23 -0.44 0.11 -1.14 0.00 0.00 176.83 175.99 2guj h LYS 69 N 0.02 -0.19 -0.15 3.45 1.57 -1.99 0.49 116.57 119.78 2guj h LYS 69 Ca 0.37 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.22 2guj h LYS 69 Cb 0.60 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 2guj h LYS 69 CO -0.74 -0.13 -0.26 0.35 -0.57 0.00 0.00 179.45 178.10 2guj h PHE 70 N -0.20 -0.70 0.07 -1.35 3.57 -0.67 0.88 116.94 118.54 2guj h PHE 70 Ca 0.19 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.73 2guj h PHE 70 Cb 0.56 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 2guj h PHE 70 CO -0.73 -0.34 -0.36 0.28 -2.23 0.00 0.00 178.31 174.93 2guj h VAL 71 N -0.32 0.00 -0.96 1.41 2.07 -0.40 0.15 116.25 118.19 2guj h VAL 71 Ca 0.11 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.86 2guj h VAL 71 Cb 0.48 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.12 2guj h VAL 71 CO -0.33 0.00 0.53 0.25 0.02 0.00 0.00 177.57 178.04 2guj h LEU 72 N -0.50 0.56 -7.84 2.57 5.85 -0.62 -3.43 115.31 111.90 2guj h LEU 72 Ca -0.00 0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 2guj h LEU 72 Cb 0.51 0.07 0.03 0.00 0.37 0.00 0.00 40.66 41.64 2guj h LEU 72 CO -0.20 0.07 0.35 -0.11 -0.34 0.00 0.00 178.44 178.21 2guj n LEU 73 N -4.94 1.05 0.00 2.25 -0.00 0.30 -4.72 117.00 110.95 2guj n LEU 73 Ca 0.25 -2.19 0.00 0.00 -0.00 0.00 0.00 56.01 54.07 2guj n LEU 73 Cb 0.71 -1.39 0.00 0.00 -0.00 0.00 0.00 43.42 42.74 2guj n LEU 73 CO 0.15 -3.19 0.00 0.47 -0.00 0.00 0.00 177.39 174.82 2guj n ASP 76 N 16.68 0.00 -0.06 1.96 9.92 -1.26 -4.79 116.55 139.00 2guj n ASP 76 Ca 0.40 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.51 2guj n ASP 76 Cb 0.46 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.81 2guj n ASP 76 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2guj h TYR 77 N 0.00 0.03 0.00 1.24 0.05 -1.88 -3.07 116.97 113.35 2guj h TYR 77 Ca 0.00 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 2guj h TYR 77 Cb 0.00 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 2guj h TYR 77 CO 0.00 1.05 -0.11 -0.24 -1.05 0.00 0.00 178.16 177.81 2guj h VAL 78 N -0.96 0.52 0.70 -2.88 3.04 -1.87 -0.61 116.25 114.20 2guj h VAL 78 Ca -0.03 -0.50 -0.03 0.00 -1.01 0.00 0.00 66.70 65.12 2guj h VAL 78 Cb 1.06 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 2guj h VAL 78 CO -0.00 0.11 -0.39 0.11 -1.01 0.00 0.00 177.57 176.38 2guj h LYS 79 N 0.00 -0.98 0.00 4.17 1.57 -1.91 0.12 116.57 119.54 2guj h LYS 79 Ca -0.00 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2guj h LYS 79 Cb 0.33 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2guj h LYS 79 CO 0.01 -0.65 0.00 0.36 -0.57 0.00 0.00 179.45 178.60 2guj n LYS 80 N -4.91 0.32 -3.66 3.15 2.85 -0.74 -4.81 118.16 110.36 2guj n LYS 80 Ca -0.12 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 56.93 2guj n LYS 80 Cb 0.41 -1.31 0.04 0.00 -0.65 0.00 0.00 35.03 33.53 2guj n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2guj n GLY 81 N -0.29 -0.31 3.03 2.58 0.00 0.40 -5.00 105.19 105.59 2guj n GLY 81 Ca 0.05 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 2guj n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2guj s SER 82 N -4.32 0.50 -0.23 1.61 0.01 -0.63 -4.98 113.70 105.66 2guj s SER 82 Ca 0.03 -0.64 -0.04 0.00 1.31 0.00 0.00 55.95 56.61 2guj s SER 82 Cb -0.01 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 2guj s SER 82 CO 0.80 -0.34 -0.03 -1.81 0.41 0.00 0.00 173.24 172.26 2guj s ASP 83 N -1.87 4.41 0.68 2.44 1.01 -1.26 -4.11 116.67 117.96 2guj s ASP 83 Ca -0.08 -0.41 -0.11 0.00 0.71 0.00 0.00 52.55 52.66 2guj s ASP 83 Cb -0.06 -1.76 -0.00 0.00 1.01 0.00 0.00 42.92 42.11 2guj s ASP 83 CO -0.03 -0.03 1.05 -2.16 0.21 0.00 0.00 175.17 174.21 2guj s PRO 84 N 1.49 3.09 -0.33 8.23 0.04 -1.26 -5.04 135.00 141.21 2guj s PRO 84 Ca 0.05 0.90 -0.09 0.00 0.04 0.00 0.00 61.00 61.90 2guj s PRO 84 Cb -0.15 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.40 2guj s PRO 84 CO -0.02 -0.98 0.15 0.71 0.04 0.00 0.00 177.00 176.90 2guj s TYR 85 N -3.08 3.20 0.32 0.56 2.02 -1.26 -4.61 117.35 114.51 2guj s TYR 85 Ca 0.57 -0.89 0.04 0.00 -0.37 0.00 0.00 57.07 56.43 2guj s TYR 85 Cb -0.13 -2.36 -0.02 0.00 -0.40 0.00 0.00 41.96 39.05 2guj s TYR 85 CO 0.55 -0.58 0.48 -0.06 -1.57 0.00 0.00 175.55 174.36 2guj s PHE 86 N 1.55 3.29 -0.27 2.71 0.40 -0.63 -4.67 117.98 120.35 2guj s PHE 86 Ca 0.03 -0.01 -0.00 0.00 -0.60 0.00 0.00 56.93 56.35 2guj s PHE 86 Cb -0.18 -1.89 0.05 0.00 0.51 0.00 0.00 43.02 41.51 2guj s PHE 86 CO 0.05 0.10 -0.05 0.99 0.70 0.00 0.00 175.22 177.01 2guj s THR 87 N -2.19 2.69 -0.44 0.64 2.01 -0.86 -1.23 115.64 116.26 2guj s THR 87 Ca 0.41 -1.38 -0.21 0.00 0.31 0.00 0.00 61.69 60.82 2guj s THR 87 Cb -0.09 -2.51 0.03 0.00 0.01 0.00 0.00 72.50 69.93 2guj s THR 87 CO 0.32 -0.01 0.68 -0.22 -0.69 0.00 0.00 174.62 174.70 2guj s LEU 88 N 1.22 4.46 -0.44 4.42 0.20 -1.21 -0.46 118.68 126.86 2guj s LEU 88 Ca -0.05 -0.31 -0.05 0.00 0.69 0.00 0.00 54.13 54.41 2guj s LEU 88 Cb -0.19 -2.77 0.11 0.00 -0.43 0.00 0.00 46.19 42.91 2guj s LEU 88 CO -0.03 -0.82 0.26 -1.58 -0.29 0.00 0.00 176.35 173.89 2guj s GLN 89 N 2.93 2.18 0.13 1.98 0.74 0.12 -0.89 119.66 126.85 2guj s GLN 89 Ca 0.24 -1.81 0.01 0.00 0.05 0.00 0.00 55.36 53.85 2guj s GLN 89 Cb -0.14 -3.71 0.01 0.00 1.10 0.00 0.00 33.01 30.27 2guj s GLN 89 CO 0.20 -1.12 0.07 0.00 -0.55 0.00 0.00 175.29 173.88 2guj n ALA 90 N 4.69 0.18 -3.18 1.58 0.00 0.21 -2.16 120.51 121.84 2guj n ALA 90 Ca -0.04 -0.56 -0.36 0.00 0.00 0.00 0.00 53.44 52.48 2guj n ALA 90 Cb 0.41 0.26 -0.13 0.00 0.00 0.00 0.00 19.45 19.99 2guj n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2guj s VAL 91 N -0.93 4.05 0.35 0.00 1.01 -1.15 -0.74 120.40 122.98 2guj s VAL 91 Ca 0.05 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 2guj s VAL 91 Cb -0.00 -2.92 -0.12 0.00 0.00 0.00 0.00 36.38 33.34 2guj s VAL 91 CO 0.03 0.31 1.37 -0.11 0.00 0.00 0.00 175.10 176.70 2guj n LEU 92 N 4.89 3.93 -2.46 3.92 7.94 -0.12 -0.81 117.00 134.29 2guj n LEU 92 Ca -0.16 1.21 -0.27 0.00 -1.11 0.00 0.00 56.01 55.68 2guj n LEU 92 Cb 0.51 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.93 2guj n LEU 92 CO 0.31 -0.27 0.21 -0.90 -1.11 0.00 0.00 177.39 175.63 2guj n ASP 93 N 0.79 4.77 -4.60 1.96 5.68 -0.97 -4.64 116.55 119.54 2guj n ASP 93 Ca 0.04 -3.72 -0.42 0.00 -0.50 0.00 0.00 54.79 50.18 2guj n ASP 93 Cb 0.37 -0.46 -0.04 0.00 -1.14 0.00 0.00 41.12 39.84 2guj n ASP 93 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2guj s ASP 94 N -3.50 6.65 0.34 -1.12 -1.08 -1.26 -4.90 116.67 111.81 2guj s ASP 94 Ca 0.48 0.53 0.15 0.00 -0.52 0.00 0.00 52.55 53.20 2guj s ASP 94 Cb 0.40 -2.45 0.59 0.00 -1.46 0.00 0.00 42.92 40.01 2guj s ASP 94 CO -0.18 -0.83 1.71 -0.61 0.52 0.00 0.00 175.17 175.79 2guj h GLN 95 N 8.47 0.00 -0.85 4.34 5.75 -1.96 -2.90 115.11 127.95 2guj h GLN 95 Ca -0.23 0.00 0.22 0.00 -0.15 0.00 0.00 58.65 58.49 2guj h GLN 95 Cb 1.08 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.58 2guj h GLN 95 CO 0.96 0.45 0.59 1.03 -2.65 0.00 0.00 178.83 179.22 2guj h SER 96 N 0.00 0.19 -6.19 -0.69 0.87 -1.98 -3.45 113.55 102.30 2guj h SER 96 Ca -0.00 0.02 -0.44 0.00 -1.23 0.00 0.00 61.79 60.13 2guj h SER 96 Cb 0.92 -0.01 0.02 0.00 -0.44 0.00 0.00 62.40 62.88 2guj h SER 96 CO 0.06 0.07 -0.81 -0.24 -0.53 0.00 0.00 176.83 175.38 2guj n SER 97 N -4.39 -2.42 0.27 6.23 2.88 -1.10 -4.80 113.62 110.29 2guj n SER 97 Ca 0.18 -0.82 0.14 0.00 -1.33 0.00 0.00 58.87 57.04 2guj n SER 97 Cb 0.80 -3.94 0.65 0.00 -0.75 0.00 0.00 64.21 60.97 2guj n SER 97 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2guj h GLY 98 N -1.95 0.00 0.00 0.46 0.00 -1.87 -3.36 103.07 96.35 2guj h GLY 98 Ca -0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.73 2guj h GLY 98 CO 0.61 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.69 2guj n ARG 99 N -2.97 0.00 0.00 4.80 3.00 -1.26 -5.16 116.66 115.06 2guj n ARG 99 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 2guj n ARG 99 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 2guj n ARG 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2guj n GLY 100 N 1.87 0.24 2.79 -0.13 0.00 -1.26 -5.14 105.19 103.56 2guj n GLY 100 Ca 0.00 0.49 -0.18 0.00 0.00 0.00 0.00 46.02 46.34 2guj n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2guj s THR 101 N 2.06 -0.32 0.35 2.61 2.01 -1.26 -4.72 115.64 116.36 2guj s THR 101 Ca 0.00 -0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.08 2guj s THR 101 Cb 0.00 -0.60 -0.06 0.00 0.01 0.00 0.00 72.50 71.86 2guj s THR 101 CO 0.00 -0.12 0.01 -1.61 -0.69 0.00 0.00 174.62 172.21 2guj s GLU 102 N 2.33 2.05 0.34 4.92 8.01 -1.26 -2.90 118.70 132.19 2guj s GLU 102 Ca 0.06 -1.79 -0.20 0.00 0.01 0.00 0.00 54.97 53.04 2guj s GLU 102 Cb -0.15 -1.89 -0.10 0.00 -4.31 0.00 0.00 34.13 27.68 2guj s GLU 102 CO -0.11 0.11 0.85 0.50 0.01 0.00 0.00 175.26 176.62 2guj s ARG 103 N -3.71 4.24 -0.08 1.61 3.52 -0.63 -0.95 118.95 122.95 2guj s ARG 103 Ca 0.35 0.99 0.03 0.00 -0.13 0.00 0.00 55.73 56.97 2guj s ARG 103 Cb 0.01 -2.50 0.01 0.00 -1.56 0.00 0.00 34.95 30.90 2guj s ARG 103 CO 0.19 0.16 -0.17 0.08 -0.81 0.00 0.00 175.30 174.76 2guj s VAL 104 N -1.89 1.48 0.14 7.11 1.01 0.08 -3.69 120.40 124.64 2guj s VAL 104 Ca 0.54 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.93 2guj s VAL 104 Cb -0.13 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2guj s VAL 104 CO 0.18 0.43 -0.19 0.42 0.00 0.00 0.00 175.10 175.94 2guj s THR 105 N 0.50 2.74 -0.53 3.92 -4.23 -0.24 -0.62 115.64 117.18 2guj s THR 105 Ca -0.15 -1.63 0.04 0.00 -1.18 0.00 0.00 61.69 58.76 2guj s THR 105 Cb -0.16 -2.27 0.14 0.00 1.34 0.00 0.00 72.50 71.55 2guj s THR 105 CO 0.05 0.04 0.31 -0.76 -0.54 0.00 0.00 174.62 173.72 2guj s LEU 106 N -2.30 3.86 0.29 4.79 2.01 -0.07 -1.36 118.68 125.89 2guj s LEU 106 Ca 0.19 -3.09 -0.30 0.00 0.01 0.00 0.00 54.13 50.94 2guj s LEU 106 Cb -0.10 -1.42 -0.13 0.00 0.01 0.00 0.00 46.19 44.55 2guj s LEU 106 CO 0.10 -0.21 1.42 -1.22 1.01 0.00 0.00 176.35 177.46 2guj n TYR 107 N 2.98 2.40 -3.60 0.29 4.01 0.28 -2.72 117.16 120.79 2guj n TYR 107 Ca 0.10 0.43 -0.26 0.00 -0.16 0.00 0.00 57.90 58.00 2guj n TYR 107 Cb 0.34 -2.48 0.04 0.00 -0.31 0.00 0.00 39.34 36.93 2guj n TYR 107 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2guj n ASP 108 N 1.69 -5.54 -4.76 7.72 9.92 -1.20 -0.81 116.55 123.56 2guj n ASP 108 Ca 0.08 -0.58 -0.39 0.00 -0.53 0.00 0.00 54.79 53.38 2guj n ASP 108 Cb 0.34 -4.41 0.00 0.00 -0.64 0.00 0.00 41.12 36.41 2guj n ASP 108 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2guj s VAL 109 N -3.25 2.61 -0.19 2.53 0.11 -0.37 -3.47 120.40 118.38 2guj s VAL 109 Ca 0.56 0.51 -0.05 0.00 -2.93 0.00 0.00 61.98 60.06 2guj s VAL 109 Cb -0.26 -3.28 0.09 0.00 -1.53 0.00 0.00 36.38 31.40 2guj s VAL 109 CO 0.69 0.04 0.36 0.21 -3.33 0.00 0.00 175.10 173.06 2guj s ASN 110 N -0.94 0.11 0.54 3.54 2.47 -1.24 -1.60 114.94 117.82 2guj s ASN 110 Ca 0.62 0.65 0.09 0.00 0.42 0.00 0.00 52.86 54.64 2guj s ASN 110 Cb -0.36 1.07 0.07 0.00 -1.45 0.00 0.00 41.25 40.57 2guj s ASN 110 CO 0.45 -0.25 0.72 -0.36 -3.72 0.00 0.00 177.10 173.94 2guj s PHE 111 N 2.53 1.69 -0.25 0.43 0.40 -1.26 -2.04 117.98 119.48 2guj s PHE 111 Ca 0.03 -0.67 -0.23 0.00 -0.60 0.00 0.00 56.93 55.46 2guj s PHE 111 Cb -0.13 -2.22 -0.01 0.00 0.51 0.00 0.00 43.02 41.17 2guj s PHE 111 CO -0.12 -0.97 0.74 0.34 0.70 0.00 0.00 175.22 175.92 2guj s ASP 112 N -4.58 6.73 0.01 1.36 2.15 -1.26 -4.76 116.67 116.32 2guj s ASP 112 Ca 0.59 0.90 -0.02 0.00 0.43 0.00 0.00 52.55 54.44 2guj s ASP 112 Cb -0.06 -2.39 -0.01 0.00 -0.30 0.00 0.00 42.92 40.16 2guj s ASP 112 CO 0.37 -0.45 1.00 -1.20 -0.17 0.00 0.00 175.17 174.71 2guj n SER 113 N 5.87 -0.08 -0.36 -0.34 7.64 -1.26 -1.06 113.62 124.03 2guj n SER 113 Ca 0.03 1.02 0.04 0.00 1.01 0.00 0.00 58.87 60.96 2guj n SER 113 Cb 0.48 -0.46 0.11 0.00 -1.01 0.00 0.00 64.21 63.33 2guj n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2guj h ALA 114 N -0.85 0.49 -1.00 -0.43 0.00 -1.95 1.03 119.26 116.56 2guj h ALA 114 Ca 0.01 0.35 0.23 0.00 0.00 0.00 0.00 54.91 55.50 2guj h ALA 114 Cb 0.03 0.83 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 2guj h ALA 114 CO -0.07 -0.46 0.64 0.87 0.00 0.00 0.00 179.25 180.23 2guj h LYS 115 N -0.00 0.48 0.14 0.00 1.57 -1.50 0.62 116.57 117.88 2guj h LYS 115 Ca 0.43 -0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.91 2guj h LYS 115 Cb 0.68 -0.11 0.03 0.00 0.08 0.00 0.00 32.23 32.91 2guj h LYS 115 CO -1.00 0.32 -1.17 0.82 -0.57 0.00 0.00 179.45 177.85 2guj h ILE 116 N 0.50 1.33 -0.98 1.86 2.04 0.15 -3.22 117.51 119.19 2guj h ILE 116 Ca 0.57 -2.49 0.11 0.00 1.00 0.00 0.00 64.86 64.05 2guj h ILE 116 Cb 1.27 2.86 -0.08 0.00 -0.74 0.00 0.00 36.82 40.13 2guj h ILE 116 CO -0.30 0.74 0.62 0.00 0.00 0.00 0.00 178.15 179.21 2guj h ALA 117 N 0.22 1.56 0.00 1.87 0.00 0.14 -0.23 119.26 122.82 2guj h ALA 117 Ca -0.19 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2guj h ALA 117 Cb 1.87 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2guj h ALA 117 CO 0.22 0.21 0.00 0.45 0.00 0.00 0.00 179.25 180.13 2guj n SER 118 N -4.59 0.00 0.04 0.00 2.88 0.04 -3.05 113.62 108.94 2guj n SER 118 Ca 0.18 -0.24 0.10 0.00 -1.33 0.00 0.00 58.87 57.58 2guj n SER 118 Cb 0.34 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.22 2guj n SER 118 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2guj n LEU 119 N -0.91 0.22 -2.70 2.46 4.32 -0.10 -5.04 117.00 115.25 2guj n LEU 119 Ca 0.04 0.54 -0.08 0.00 -0.02 0.00 0.00 56.01 56.50 2guj n LEU 119 Cb 0.02 -0.50 0.10 0.00 -1.62 0.00 0.00 43.42 41.42 2guj n LEU 119 CO 0.03 -0.26 0.37 -0.67 -1.22 0.00 0.00 177.39 175.64 2guj n ASP 120 N -1.73 -1.21 -3.19 -1.43 2.03 -1.17 -5.08 116.55 104.78 2guj n ASP 120 Ca 0.04 -2.54 -0.16 0.00 0.52 0.00 0.00 54.79 52.64 2guj n ASP 120 Cb 0.24 0.71 0.16 0.00 -0.72 0.00 0.00 41.12 41.50 2guj n ASP 120 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2guj n GLU 127 N -0.46 -2.94 0.08 -0.67 1.02 -1.26 -5.18 120.64 111.23 2guj n GLU 127 Ca -0.00 -0.78 0.05 0.00 -0.02 0.00 0.00 57.16 56.41 2guj n GLU 127 Cb 0.84 -1.11 -0.02 0.00 -0.02 0.00 0.00 31.44 31.12 2guj n GLU 127 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2guj h GLU 128 N 0.00 0.00 -6.17 3.49 5.08 -1.99 -3.43 114.58 111.56 2guj h GLU 128 Ca -0.21 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.63 2guj h GLU 128 Cb 0.71 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 2guj h GLU 128 CO 0.13 0.18 1.18 -1.21 -1.00 0.00 0.00 179.01 178.29 2guj s GLU 129 N -3.12 3.00 0.03 2.33 2.02 -1.26 -4.10 118.70 117.61 2guj s GLU 129 Ca -0.01 -0.06 -0.10 0.00 0.02 0.00 0.00 54.97 54.82 2guj s GLU 129 Cb 0.09 -4.43 -0.05 0.00 0.10 0.00 0.00 34.13 29.83 2guj s GLU 129 CO 0.79 -2.43 0.36 0.08 0.02 0.00 0.00 175.26 174.08 2guj s VAL 130 N 7.04 5.14 0.57 2.63 1.01 0.31 -4.83 120.40 132.28 2guj s VAL 130 Ca 0.49 0.50 -0.08 0.00 0.00 0.00 0.00 61.98 62.89 2guj s VAL 130 Cb -0.09 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2guj s VAL 130 CO 0.13 0.42 0.91 -2.84 0.00 0.00 0.00 175.10 173.72 2guj s PRO 131 N -1.56 3.40 -0.04 2.72 0.02 -1.26 -1.30 135.00 136.97 2guj s PRO 131 Ca 0.28 0.37 -0.30 0.00 0.02 0.00 0.00 61.00 61.37 2guj s PRO 131 Cb -0.14 -2.23 0.11 0.00 0.02 0.00 0.00 34.50 32.26 2guj s PRO 131 CO 0.15 -0.48 0.94 -0.59 -0.33 0.00 0.00 177.00 176.69 2guj s PHE 132 N -2.98 -0.31 -0.34 6.54 -0.12 -1.13 -4.52 117.98 115.10 2guj s PHE 132 Ca 0.52 0.22 -0.01 0.00 -0.05 0.00 0.00 56.93 57.61 2guj s PHE 132 Cb -0.11 0.53 0.12 0.00 -0.63 0.00 0.00 43.02 42.93 2guj s PHE 132 CO 0.49 -0.48 0.16 0.95 -0.05 0.00 0.00 175.22 176.29 2guj s THR 133 N -2.87 0.57 0.86 -4.49 -4.23 -0.87 -1.75 115.64 102.86 2guj s THR 133 Ca 0.05 -1.58 -0.11 0.00 -1.18 0.00 0.00 61.69 58.88 2guj s THR 133 Cb -0.01 -1.42 0.11 0.00 1.34 0.00 0.00 72.50 72.51 2guj s THR 133 CO -0.08 -0.82 1.10 0.72 -0.54 0.00 0.00 174.62 175.00 2guj s PHE 134 N 1.32 2.25 -0.87 3.99 -0.71 -1.21 -3.60 117.98 119.14 2guj s PHE 134 Ca 0.13 1.50 0.09 0.00 -1.04 0.00 0.00 56.93 57.62 2guj s PHE 134 Cb -0.20 -3.14 -0.00 0.00 -1.21 0.00 0.00 43.02 38.47 2guj s PHE 134 CO -0.15 -2.28 0.61 0.39 -1.34 0.00 0.00 175.22 172.45 2guj n GLU 135 N -3.84 2.09 -3.63 1.99 4.71 0.01 -2.48 120.64 119.49 2guj n GLU 135 Ca 0.09 -0.59 -0.06 0.00 -0.01 0.00 0.00 57.16 56.59 2guj n GLU 135 Cb 0.54 -1.07 -0.06 0.00 -1.01 0.00 0.00 31.44 29.84 2guj n GLU 135 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2guj s ASP 136 N -1.30 -0.20 0.47 1.62 -1.08 -1.05 -3.39 116.67 111.74 2guj s ASP 136 Ca 0.08 0.30 0.04 0.00 -0.52 0.00 0.00 52.55 52.45 2guj s ASP 136 Cb 0.08 0.28 -0.03 0.00 -1.46 0.00 0.00 42.92 41.78 2guj s ASP 136 CO 0.24 -0.13 0.07 0.72 0.52 0.00 0.00 175.17 176.59 2guj s PHE 137 N -0.50 2.13 -0.17 -5.34 -0.12 -1.23 0.10 117.98 112.85 2guj s PHE 137 Ca 0.05 -0.81 -0.31 0.00 -0.05 0.00 0.00 56.93 55.81 2guj s PHE 137 Cb -0.03 -1.74 0.14 0.00 -0.63 0.00 0.00 43.02 40.76 2guj s PHE 137 CO -0.08 0.21 1.09 0.34 -0.05 0.00 0.00 175.22 176.73 2guj s ASP 138 N -3.88 -0.26 -0.45 1.98 -1.08 -0.46 -4.86 116.67 107.66 2guj s ASP 138 Ca 0.22 0.21 0.09 0.00 -0.52 0.00 0.00 52.55 52.55 2guj s ASP 138 Cb 0.04 0.23 0.31 0.00 -1.46 0.00 0.00 42.92 42.04 2guj s ASP 138 CO 0.12 -0.29 0.71 0.52 0.52 0.00 0.00 175.17 176.75 2guj n VAL 139 N 0.44 0.60 0.03 1.11 0.31 -1.26 -1.08 118.33 118.48 2guj n VAL 139 Ca -0.06 -4.69 -0.12 0.00 -0.01 0.00 0.00 64.34 59.46 2guj n VAL 139 Cb 0.59 -1.17 -0.05 0.00 -0.91 0.00 0.00 33.84 32.29 2guj n VAL 139 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2guj h PRO 140 N 3.42 -0.47 -5.57 5.55 0.13 -1.96 -3.46 132.00 129.64 2guj h PRO 140 Ca 0.11 0.03 -0.56 0.00 -0.87 0.00 0.00 66.00 64.71 2guj h PRO 140 Cb 0.82 0.11 -0.13 0.00 0.13 0.00 0.00 31.00 31.92 2guj h PRO 140 CO 0.59 -0.31 -0.63 -1.83 -0.23 0.00 0.00 178.00 175.59 2guj s GLU 141 N -5.96 1.77 0.00 0.86 -1.05 -1.26 -5.02 118.70 108.04 2guj s GLU 141 Ca -0.16 -1.96 0.00 0.00 -0.15 0.00 0.00 54.97 52.70 2guj s GLU 141 Cb 0.09 -1.36 0.00 0.00 -0.44 0.00 0.00 34.13 32.42 2guj s GLU 141 CO 0.65 -0.03 0.00 1.63 0.95 0.00 0.00 175.26 178.46 2guj n LYS 142 N -0.79 0.00 0.00 -4.83 5.02 -1.26 -1.61 118.16 114.69 2guj n LYS 142 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2guj n LYS 142 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.66 2guj n LYS 142 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77