#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 1.97 -0.05 0.00 -0.06 -1.26 -4.00 117.38 113.98 2guj n GLN 6 Ca 0.00 -1.45 -0.01 0.00 -2.00 0.00 0.00 57.00 53.55 2guj n GLN 6 Cb 0.00 -1.44 0.01 0.00 -4.06 0.00 0.00 30.24 24.75 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 0.69 2.86 -3.93 1.69 4.05 -1.26 -4.85 115.26 114.50 2guj n ASN 7 Ca 0.17 -2.06 -0.28 0.00 0.45 0.00 0.00 54.58 52.86 2guj n ASN 7 Cb 0.43 -0.51 0.19 0.00 1.23 0.00 0.00 39.78 41.12 2guj n ASN 7 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 2guj n THR 8 N 0.40 0.00 -3.64 -0.44 5.66 -1.26 -3.76 114.28 111.24 2guj n THR 8 Ca 0.02 -1.02 -0.03 0.00 -3.05 0.00 0.00 64.05 59.98 2guj n THR 8 Cb 0.52 -1.46 -0.07 0.00 -1.55 0.00 0.00 70.33 67.78 2guj n THR 8 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2guj s ILE 9 N -3.77 0.00 0.12 1.09 2.07 -1.13 -4.86 121.20 114.71 2guj s ILE 9 Ca 0.73 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.82 2guj s ILE 9 Cb -0.02 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.60 2guj s ILE 9 CO 0.51 0.00 0.37 -0.94 -1.91 0.00 0.00 174.94 172.97 2guj s SER 10 N 1.36 -0.19 -0.08 4.50 1.04 -1.26 0.81 113.70 119.88 2guj s SER 10 Ca -0.09 -0.35 -0.18 0.00 0.48 0.00 0.00 55.95 55.81 2guj s SER 10 Cb -0.04 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.57 2guj s SER 10 CO -0.15 -0.83 0.43 -0.83 0.98 0.00 0.00 173.24 172.85 2guj s GLY 11 N -2.77 -0.30 1.29 7.32 0.00 -0.90 -2.31 107.32 109.65 2guj s GLY 11 Ca 0.03 0.88 -0.21 0.00 0.00 0.00 0.00 44.72 45.42 2guj s GLY 11 CO -0.11 0.66 1.07 0.54 0.00 0.00 0.00 173.10 175.25 2guj s LYS 12 N -0.68 -1.91 0.00 2.90 -0.14 -0.19 -3.20 119.74 116.52 2guj s LYS 12 Ca -0.08 -0.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.43 2guj s LYS 12 Cb -0.03 -1.52 0.00 0.00 -1.68 0.00 0.00 37.83 34.60 2guj s LYS 12 CO 0.04 -4.16 0.00 0.39 -0.76 0.00 0.00 175.35 170.86 2guj n GLU 13 N -5.07 0.00 -4.12 1.68 1.02 -1.26 -3.07 120.64 109.82 2guj n GLU 13 Ca 0.14 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.17 2guj n GLU 13 Cb 0.60 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.95 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 1.17 -0.02 0.62 0.00 0.38 -3.02 107.32 106.46 2guj s GLY 14 Ca 0.00 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.34 2guj s GLY 14 CO 0.00 -1.06 -0.07 0.50 0.00 0.00 0.00 173.10 172.46 2guj s ARG 15 N -3.90 0.72 -0.15 2.90 3.00 -1.08 -1.23 118.95 119.21 2guj s ARG 15 Ca 0.32 -0.24 -0.03 0.00 0.00 0.00 0.00 55.73 55.78 2guj s ARG 15 Cb 0.03 -0.70 -0.03 0.00 0.00 0.00 0.00 34.95 34.26 2guj s ARG 15 CO 0.13 0.10 -0.04 -0.48 0.00 0.00 0.00 175.30 175.01 2guj s LEU 16 N 0.12 3.24 -0.19 2.53 2.34 -1.22 -0.29 118.68 125.21 2guj s LEU 16 Ca -0.01 -0.12 -0.04 0.00 0.06 0.00 0.00 54.13 54.02 2guj s LEU 16 Cb -0.06 -1.77 -0.02 0.00 -0.56 0.00 0.00 46.19 43.77 2guj s LEU 16 CO -0.00 0.19 -0.04 -0.36 -1.06 0.00 0.00 176.35 175.08 2guj s PHE 17 N 0.25 2.98 -0.39 3.48 0.40 0.31 -4.27 117.98 120.74 2guj s PHE 17 Ca -0.03 -0.58 -0.19 0.00 -0.60 0.00 0.00 56.93 55.52 2guj s PHE 17 Cb -0.14 -2.04 0.01 0.00 0.51 0.00 0.00 43.02 41.36 2guj s PHE 17 CO 0.03 -0.28 0.57 -1.17 0.70 0.00 0.00 175.22 175.06 2guj s LEU 18 N 0.93 4.44 -0.14 -0.37 0.20 0.13 -2.21 118.68 121.65 2guj s LEU 18 Ca 0.00 -0.17 -0.02 0.00 0.69 0.00 0.00 54.13 54.63 2guj s LEU 18 Cb -0.15 -2.64 0.02 0.00 -0.43 0.00 0.00 46.19 42.99 2guj s LEU 18 CO 0.01 -0.61 0.05 -0.67 -0.29 0.00 0.00 176.35 174.84 2guj n ASP 19 N 5.95 -0.83 0.00 3.68 -0.08 -1.26 -0.60 116.55 123.40 2guj n ASP 19 Ca -0.03 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 2guj n ASP 19 Cb 0.48 -0.81 0.00 0.00 2.34 0.00 0.00 41.12 43.13 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 -0.44 0.72 3.67 0.27 0.00 -1.26 -5.10 105.19 103.06 2guj n GLY 20 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 4.23 1.02 1.61 2.02 0.23 -5.01 118.70 122.80 2guj s GLU 21 Ca 0.00 0.54 -0.14 0.00 0.02 0.00 0.00 54.97 55.39 2guj s GLU 21 Cb 0.00 -3.55 0.20 0.00 0.10 0.00 0.00 34.13 30.88 2guj s GLU 21 CO 0.00 -0.14 1.11 -2.00 0.02 0.00 0.00 175.26 174.25 2guj s GLU 22 N 1.60 0.27 -0.30 1.61 2.12 -1.26 -0.70 118.70 122.04 2guj s GLU 22 Ca 0.27 0.33 -0.40 0.00 0.36 0.00 0.00 54.97 55.53 2guj s GLU 22 Cb -0.16 -1.73 -0.16 0.00 0.26 0.00 0.00 34.13 32.34 2guj s GLU 22 CO 0.11 -2.80 1.78 0.00 -0.54 0.00 0.00 175.26 173.81 2guj n ALA 24 N -4.19 -0.15 -2.63 6.30 0.00 -1.26 -4.92 120.51 113.66 2guj n ALA 24 Ca 0.07 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 2guj n ALA 24 Cb 0.58 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.79 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 3.81 2.78 0.04 0.00 0.09 -1.26 -3.38 115.29 117.37 2guj s HIS 25 Ca 1.00 -1.37 -0.30 0.00 -0.00 0.00 0.00 55.06 54.38 2guj s HIS 25 Cb -1.09 -4.66 -0.05 0.00 -0.00 0.00 0.00 32.58 26.78 2guj s HIS 25 CO 0.66 -1.80 1.13 -1.50 -0.00 0.00 0.00 174.74 173.23 2guj s ILE 26 N 4.15 4.31 0.00 0.60 2.07 -0.37 -2.47 121.20 129.49 2guj s ILE 26 Ca 0.49 1.66 0.00 0.00 -1.41 0.00 0.00 60.65 61.38 2guj s ILE 26 Cb 0.01 -4.06 0.00 0.00 0.13 0.00 0.00 42.46 38.54 2guj s ILE 26 CO -0.00 0.12 0.00 1.17 -1.91 0.00 0.00 174.94 174.32 2guj n LYS 27 N 3.99 3.71 -1.46 3.50 3.00 -0.44 -0.47 118.16 129.99 2guj n LYS 27 Ca 0.08 0.00 -0.51 0.00 -0.00 0.00 0.00 58.31 57.88 2guj n LYS 27 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.46 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 1.30 -3.77 3.15 5.66 -1.26 -4.42 114.28 114.94 2guj n THR 28 Ca 0.00 -0.32 -0.13 0.00 -3.05 0.00 0.00 64.05 60.54 2guj n THR 28 Cb 0.00 -0.16 -0.09 0.00 -1.55 0.00 0.00 70.33 68.53 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 -0.62 -0.16 -0.19 1.09 -0.12 -1.19 -1.18 117.98 115.60 2guj s PHE 29 Ca 0.72 0.24 -0.04 0.00 -0.05 0.00 0.00 56.93 57.80 2guj s PHE 29 Cb -1.00 0.08 0.09 0.00 -0.63 0.00 0.00 43.02 41.56 2guj s PHE 29 CO 0.56 -0.37 0.30 -2.00 -0.05 0.00 0.00 175.22 173.66 2guj s GLU 30 N -1.28 0.23 0.00 1.99 2.12 0.45 -2.12 118.70 120.09 2guj s GLU 30 Ca -0.13 0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.80 2guj s GLU 30 Cb -0.05 -0.38 0.00 0.00 0.26 0.00 0.00 34.13 33.96 2guj s GLU 30 CO 0.04 -0.46 0.00 0.00 -0.54 0.00 0.00 175.26 174.30 2guj n ALA 31 N 5.35 0.00 -3.25 6.30 0.00 0.24 -1.91 120.51 127.25 2guj n ALA 31 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 2guj n ALA 31 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.00 -0.46 -0.00 0.00 0.01 -0.02 -2.82 114.94 110.64 2guj s ASN 32 Ca 0.00 -1.18 -0.36 0.00 -0.71 0.00 0.00 52.86 50.61 2guj s ASN 32 Cb 0.00 1.39 -0.14 0.00 0.41 0.00 0.00 41.25 42.91 2guj s ASN 32 CO 0.00 -0.20 1.63 1.33 -1.51 0.00 0.00 177.10 178.35 2guj n VAL 33 N 4.24 0.21 -2.54 1.60 0.24 -1.25 -3.41 118.33 117.42 2guj n VAL 33 Ca 0.12 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.34 61.96 2guj n VAL 33 Cb 0.52 -1.39 -0.03 0.00 -1.47 0.00 0.00 33.84 31.48 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 2.10 4.44 -0.93 7.34 2.12 -0.89 -4.93 118.70 127.96 2guj s GLU 34 Ca 0.87 1.60 -0.14 0.00 0.36 0.00 0.00 54.97 57.67 2guj s GLU 34 Cb -0.82 -3.47 0.22 0.00 0.26 0.00 0.00 34.13 30.31 2guj s GLU 34 CO 0.49 -0.27 0.94 0.21 -0.54 0.00 0.00 175.26 176.08 2guj s LYS 35 N 1.54 3.76 -0.05 4.30 2.20 -1.26 -4.84 119.74 125.39 2guj s LYS 35 Ca 0.55 -2.53 0.05 0.00 -0.36 0.00 0.00 55.97 53.68 2guj s LYS 35 Cb -0.24 -4.57 -0.02 0.00 -1.51 0.00 0.00 37.83 31.49 2guj s LYS 35 CO 0.25 -1.38 -0.20 1.21 -0.36 0.00 0.00 175.35 174.87 2guj s ASN 36 N 2.23 3.50 0.65 1.43 2.47 -1.26 -5.07 114.94 118.89 2guj s ASN 36 Ca 0.24 -0.37 0.00 0.00 0.42 0.00 0.00 52.86 53.16 2guj s ASN 36 Cb -0.09 -0.77 0.00 0.00 -1.45 0.00 0.00 41.25 38.94 2guj s ASN 36 CO -0.08 0.30 0.00 0.29 -3.72 0.00 0.00 177.10 173.88 2guj n LYS 37 N 2.62 0.00 -2.12 0.43 5.02 -1.26 -4.26 118.16 118.59 2guj n LYS 37 Ca -0.17 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.83 2guj n LYS 37 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.47 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 5.23 -0.31 4.39 1.04 -1.26 -4.74 113.70 114.05 2guj s SER 38 Ca 0.00 -1.50 -0.04 0.00 0.48 0.00 0.00 55.95 54.89 2guj s SER 38 Cb 0.00 -2.58 0.19 0.00 0.10 0.00 0.00 66.02 63.73 2guj s SER 38 CO 0.00 -2.82 0.86 -0.70 0.98 0.00 0.00 173.24 171.56 2guj s GLU 39 N 6.38 0.35 0.00 4.02 2.56 -1.26 -5.11 118.70 125.63 2guj s GLU 39 Ca 0.67 0.19 0.00 0.00 0.00 0.00 0.00 54.97 55.83 2guj s GLU 39 Cb -0.02 0.12 0.00 0.00 2.00 0.00 0.00 34.13 36.23 2guj s GLU 39 CO 0.09 -0.61 0.00 1.55 -0.56 0.00 0.00 175.26 175.74 2guj n VAL 40 N 4.93 0.00 -3.89 3.70 3.14 -1.26 -4.33 118.33 120.62 2guj n VAL 40 Ca 0.08 0.49 -0.31 0.00 -2.96 0.00 0.00 64.34 61.64 2guj n VAL 40 Cb 0.57 -1.04 -0.12 0.00 -1.06 0.00 0.00 33.84 32.19 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 -2.91 4.67 0.00 6.55 3.04 -1.26 -5.05 114.94 119.98 2guj s ASN 41 Ca 0.00 -3.28 0.00 0.00 0.04 0.00 0.00 52.86 49.62 2guj s ASN 41 Cb 0.00 -1.68 0.00 0.00 -1.54 0.00 0.00 41.25 38.03 2guj s ASN 41 CO 0.00 -0.20 0.16 -0.38 -3.04 0.00 0.00 177.10 173.63 2guj n ILE 42 N 2.79 0.00 0.00 -5.21 5.41 -1.26 -3.19 119.36 117.89 2guj n ILE 42 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 2guj n ILE 42 Cb 0.34 -0.70 0.00 0.00 -0.71 0.00 0.00 39.64 38.57 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 -0.60 0.00 2.97 7.39 0.00 -1.26 -3.91 105.19 109.78 2guj n GLY 44 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.45 -0.49 1.61 1.85 -1.19 -3.52 116.66 119.37 2guj n ARG 45 Ca 0.00 -4.47 0.00 0.00 -1.00 0.00 0.00 57.85 52.38 2guj n ARG 45 Cb 0.00 -2.55 0.00 0.00 -1.05 0.00 0.00 32.46 28.86 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 1.49 0.00 -0.88 2.89 3.00 -1.25 -4.36 116.66 117.55 2guj n ARG 46 Ca 0.28 -0.20 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 2guj n ARG 46 Cb 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 32.46 32.69 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 -1.23 -4.73 114.28 119.14 2guj n THR 48 Ca 0.00 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 2guj n THR 48 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 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 3.54 3.52 3.68 1.09 0.00 -1.26 -5.08 105.19 110.67 2guj n GLY 49 Ca 0.00 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 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 3.43 0.32 1.61 2.46 -1.26 -4.98 115.29 114.86 2guj s HIS 50 Ca 0.00 1.00 -0.04 0.00 0.47 0.00 0.00 55.06 56.48 2guj s HIS 50 Cb 0.00 -2.78 0.02 0.00 -0.13 0.00 0.00 32.58 29.69 2guj s HIS 50 CO 0.00 -0.09 0.49 0.36 -2.47 0.00 0.00 174.74 173.03 2guj n LYS 51 N 4.67 0.70 -1.46 2.88 2.85 -1.26 -4.96 118.16 121.58 2guj n LYS 51 Ca -0.02 -2.33 -0.36 0.00 -1.05 0.00 0.00 58.31 54.55 2guj n LYS 51 Cb 0.50 2.37 0.07 0.00 -0.65 0.00 0.00 35.03 37.32 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 -0.50 3.15 0.63 0.58 5.66 -1.26 -4.76 114.28 117.78 2guj n THR 52 Ca -0.01 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 2guj n THR 52 Cb 0.51 -1.09 0.00 0.00 -1.55 0.00 0.00 70.33 68.20 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 -2.22 0.00 0.00 1.09 -1.04 -1.26 -4.53 114.28 106.32 2guj n THR 53 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2guj n THR 53 Cb 0.49 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 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 0.19 -2.83 2.39 3.41 0.00 -1.26 -4.73 105.19 102.35 2guj n GLY 54 Ca 0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.51 -1.65 4.61 0.00 -1.26 -4.16 120.51 114.55 2guj n ALA 55 Ca 0.00 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.30 2guj n ALA 55 Cb 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 19.45 17.47 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 -2.27 5.71 0.00 0.00 2.20 -1.23 -3.12 114.94 116.23 2guj s ASN 56 Ca 0.00 1.72 0.00 0.00 -0.94 0.00 0.00 52.86 53.64 2guj s ASN 56 Cb 0.00 -2.52 0.00 0.00 -2.00 0.00 0.00 41.25 36.73 2guj s ASN 56 CO 0.00 -1.22 0.00 0.61 -2.94 0.00 0.00 177.10 173.55 2guj n GLY 57 N -1.41 -1.22 3.77 0.45 0.00 -0.92 -2.09 105.19 103.78 2guj n GLY 57 Ca 0.08 -0.86 -0.33 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 -2.77 1.17 -0.64 2.61 2.01 -1.22 -3.01 115.64 113.79 2guj s THR 58 Ca 0.00 -1.98 0.00 0.00 0.31 0.00 0.00 61.69 60.02 2guj s THR 58 Cb 0.00 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.36 2guj s THR 58 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2guj n GLY 59 N -1.28 -0.88 3.45 4.40 0.00 -0.96 -0.84 105.19 109.07 2guj n GLY 59 Ca -0.19 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.00 0.01 0.01 2.61 -1.32 -0.80 -3.09 115.64 110.06 2guj s THR 60 Ca 0.00 -0.07 -0.28 0.00 -1.21 0.00 0.00 61.69 60.13 2guj s THR 60 Cb 0.00 -0.99 0.10 0.00 -1.51 0.00 0.00 72.50 70.09 2guj s THR 60 CO 0.00 -0.04 0.82 0.00 -2.21 0.00 0.00 174.62 173.19 2guj s ALA 61 N -2.46 -1.78 -0.05 11.08 0.00 -0.59 -0.41 121.76 127.56 2guj s ALA 61 Ca -0.05 0.98 0.06 0.00 0.00 0.00 0.00 51.96 52.95 2guj s ALA 61 Cb -0.01 0.37 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 2guj s ALA 61 CO -0.01 -0.64 -0.24 0.95 0.00 0.00 0.00 175.76 175.82 2guj s THR 62 N -2.89 1.95 0.31 0.00 -4.23 -0.33 -0.26 115.64 110.18 2guj s THR 62 Ca 0.02 -1.02 -0.13 0.00 -1.18 0.00 0.00 61.69 59.38 2guj s THR 62 Cb -0.01 -1.64 -0.08 0.00 1.34 0.00 0.00 72.50 72.11 2guj s THR 62 CO -0.07 0.55 0.70 -0.36 -0.54 0.00 0.00 174.62 174.89 2guj s PHE 63 N -0.25 3.39 -0.04 3.99 0.40 -1.26 -1.32 117.98 122.89 2guj s PHE 63 Ca -0.00 1.12 -0.02 0.00 -0.60 0.00 0.00 56.93 57.43 2guj s PHE 63 Cb -0.12 -2.46 -0.01 0.00 0.51 0.00 0.00 43.02 40.94 2guj s PHE 63 CO 0.02 0.12 -0.04 -0.92 0.70 0.00 0.00 175.22 175.10 2guj h TYR 64 N 2.22 0.00 -2.32 0.36 3.20 -1.80 -3.43 116.97 115.20 2guj h TYR 64 Ca -0.48 0.00 -0.61 0.00 3.14 0.00 0.00 58.73 60.78 2guj h TYR 64 Cb 1.17 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 39.30 2guj h TYR 64 CO 0.62 0.00 -0.77 -1.59 -1.64 0.00 0.00 178.16 174.78 2guj s LYS 65 N -1.33 1.66 -0.21 1.82 -2.85 -1.25 -5.04 119.74 112.54 2guj s LYS 65 Ca -0.03 -1.74 -0.02 0.00 -1.00 0.00 0.00 55.97 53.18 2guj s LYS 65 Cb 0.00 -1.77 0.06 0.00 -2.06 0.00 0.00 37.83 34.06 2guj s LYS 65 CO 0.05 0.34 0.01 0.08 0.10 0.00 0.00 175.35 175.92 2guj s VAL 66 N -2.42 0.85 -0.05 1.79 1.01 -1.26 -4.36 120.40 115.96 2guj s VAL 66 Ca 0.29 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 2guj s VAL 66 Cb -0.05 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2guj s VAL 66 CO 0.14 -0.17 1.25 0.28 0.00 0.00 0.00 175.10 176.61 2guj s THR 67 N 1.71 4.13 0.25 3.92 -1.32 -1.26 -4.90 115.64 118.17 2guj s THR 67 Ca -0.02 1.46 -0.11 0.00 -1.21 0.00 0.00 61.69 61.81 2guj s THR 67 Cb -0.18 -3.94 0.36 0.00 -1.51 0.00 0.00 72.50 67.24 2guj s THR 67 CO -0.07 -0.01 1.58 0.28 -2.21 0.00 0.00 174.62 174.18 2guj h SER 68 N 7.61 -0.87 -0.71 8.08 0.02 -1.99 0.34 113.55 126.02 2guj h SER 68 Ca -0.34 0.26 0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2guj h SER 68 Cb 1.16 0.56 -0.10 0.00 0.14 0.00 0.00 62.40 64.16 2guj h SER 68 CO 0.89 -0.29 -0.57 0.11 -1.14 0.00 0.00 176.83 175.83 2guj h LYS 69 N -0.01 -0.18 -0.24 3.45 1.57 -1.99 0.17 116.57 119.34 2guj h LYS 69 Ca 0.41 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.26 2guj h LYS 69 Cb 0.63 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.91 2guj h LYS 69 CO -0.90 -0.12 -0.35 0.35 -0.57 0.00 0.00 179.45 177.86 2guj h PHE 70 N -0.19 -0.99 0.02 -1.35 3.57 -0.73 0.90 116.94 118.17 2guj h PHE 70 Ca 0.12 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.68 2guj h PHE 70 Cb 0.50 0.47 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 2guj h PHE 70 CO -0.89 -0.41 -0.41 0.28 -2.23 0.00 0.00 178.31 174.65 2guj h VAL 71 N -0.36 0.00 -0.98 1.41 2.07 -0.46 0.14 116.25 118.06 2guj h VAL 71 Ca 0.12 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.85 2guj h VAL 71 Cb 0.56 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.22 2guj h VAL 71 CO -0.44 0.00 0.57 0.25 0.02 0.00 0.00 177.57 177.97 2guj h LEU 72 N -0.53 0.68 -7.83 2.57 5.85 -0.59 -3.43 115.31 112.04 2guj h LEU 72 Ca 0.01 0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 2guj h LEU 72 Cb 0.56 0.01 0.03 0.00 0.37 0.00 0.00 40.66 41.63 2guj h LEU 72 CO -0.26 0.17 0.40 -0.11 -0.34 0.00 0.00 178.44 178.30 2guj n LEU 73 N -4.85 0.94 0.00 2.25 -0.00 0.31 -4.69 117.00 110.95 2guj n LEU 73 Ca 0.24 -2.13 0.00 0.00 -0.00 0.00 0.00 56.01 54.12 2guj n LEU 73 Cb 0.65 -1.33 0.00 0.00 -0.00 0.00 0.00 43.42 42.74 2guj n LEU 73 CO 0.18 -3.09 0.00 0.47 -0.00 0.00 0.00 177.39 174.95 2guj n ASP 76 N 15.99 0.00 -0.07 1.96 9.92 -1.26 -4.77 116.55 138.32 2guj n ASP 76 Ca 0.38 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.51 2guj n ASP 76 Cb 0.46 0.00 -0.12 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 -0.00 0.00 1.24 0.05 -1.89 -3.08 116.97 113.29 2guj h TYR 77 Ca 0.00 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 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 0.94 -0.07 -0.24 -1.05 0.00 0.00 178.16 177.74 2guj h VAL 78 N -0.99 0.35 0.88 -2.88 3.04 -1.86 -0.46 116.25 114.33 2guj h VAL 78 Ca -0.00 -0.40 -0.04 0.00 -1.01 0.00 0.00 66.70 65.25 2guj h VAL 78 Cb 0.94 1.29 0.01 0.00 -2.01 0.00 0.00 31.29 31.51 2guj h VAL 78 CO 0.00 0.07 -0.44 0.11 -1.01 0.00 0.00 177.57 176.30 2guj h LYS 79 N 0.00 -1.16 0.00 4.17 1.57 -1.91 0.11 116.57 119.35 2guj h LYS 79 Ca -0.00 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2guj h LYS 79 Cb 0.28 0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2guj h LYS 79 CO 0.01 -0.77 0.00 0.36 -0.57 0.00 0.00 179.45 178.48 2guj n LYS 80 N -5.28 0.24 -3.48 3.15 2.85 -0.64 -4.80 118.16 110.18 2guj n LYS 80 Ca -0.15 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.93 2guj n LYS 80 Cb 0.48 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.44 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 -0.53 -0.39 3.14 2.58 0.00 0.37 -5.02 105.19 105.34 2guj n GLY 81 Ca 0.06 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.18 0.96 -0.18 1.61 0.01 -0.80 -4.98 113.70 106.13 2guj s SER 82 Ca 0.10 -0.95 -0.01 0.00 1.31 0.00 0.00 55.95 56.40 2guj s SER 82 Cb -0.05 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2guj s SER 82 CO 0.74 -0.47 -0.13 -1.81 0.41 0.00 0.00 173.24 171.99 2guj s ASP 83 N -2.84 3.77 0.68 2.44 1.01 -1.26 -4.07 116.67 116.40 2guj s ASP 83 Ca 0.08 -0.48 -0.11 0.00 0.71 0.00 0.00 52.55 52.75 2guj s ASP 83 Cb 0.04 -1.61 -0.00 0.00 1.01 0.00 0.00 42.92 42.36 2guj s ASP 83 CO -0.05 0.03 1.07 -2.16 0.21 0.00 0.00 175.17 174.27 2guj s PRO 84 N 1.13 3.06 -0.41 8.23 0.04 -1.26 -5.05 135.00 140.74 2guj s PRO 84 Ca 0.01 0.58 -0.10 0.00 0.04 0.00 0.00 61.00 61.53 2guj s PRO 84 Cb -0.14 -2.03 0.07 0.00 0.04 0.00 0.00 34.50 32.43 2guj s PRO 84 CO -0.04 -0.92 0.25 0.71 0.04 0.00 0.00 177.00 177.04 2guj s TYR 85 N -3.28 3.31 0.34 0.56 2.02 -1.26 -4.61 117.35 114.42 2guj s TYR 85 Ca 0.57 -1.36 0.02 0.00 -0.37 0.00 0.00 57.07 55.93 2guj s TYR 85 Cb -0.11 -2.83 -0.03 0.00 -0.40 0.00 0.00 41.96 38.59 2guj s TYR 85 CO 0.53 -0.80 0.52 -0.06 -1.57 0.00 0.00 175.55 174.17 2guj s PHE 86 N 1.47 3.43 -0.29 2.71 0.40 -0.99 -4.66 117.98 120.05 2guj s PHE 86 Ca 0.03 0.22 -0.02 0.00 -0.60 0.00 0.00 56.93 56.55 2guj s PHE 86 Cb -0.22 -1.89 0.04 0.00 0.51 0.00 0.00 43.02 41.47 2guj s PHE 86 CO 0.03 0.12 -0.01 0.99 0.70 0.00 0.00 175.22 177.05 2guj s THR 87 N -2.27 3.00 -0.43 0.64 2.01 -0.94 -1.71 115.64 115.94 2guj s THR 87 Ca 0.40 -1.31 -0.22 0.00 0.31 0.00 0.00 61.69 60.87 2guj s THR 87 Cb -0.09 -2.69 0.02 0.00 0.01 0.00 0.00 72.50 69.75 2guj s THR 87 CO 0.34 -0.06 0.71 -0.22 -0.69 0.00 0.00 174.62 174.71 2guj s LEU 88 N 1.27 4.33 -0.47 4.42 0.20 -1.15 -0.53 118.68 126.76 2guj s LEU 88 Ca -0.04 -0.12 -0.01 0.00 0.69 0.00 0.00 54.13 54.65 2guj s LEU 88 Cb -0.19 -2.86 0.12 0.00 -0.43 0.00 0.00 46.19 42.83 2guj s LEU 88 CO -0.01 -0.81 0.25 -1.58 -0.29 0.00 0.00 176.35 173.91 2guj s GLN 89 N 3.03 2.07 0.04 1.98 0.74 0.60 -0.39 119.66 127.72 2guj s GLN 89 Ca 0.27 -2.11 0.00 0.00 0.05 0.00 0.00 55.36 53.57 2guj s GLN 89 Cb -0.13 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.44 2guj s GLN 89 CO 0.20 -1.08 0.02 0.00 -0.55 0.00 0.00 175.29 173.88 2guj n ALA 90 N 4.08 0.05 -3.03 1.58 0.00 0.07 -2.63 120.51 120.62 2guj n ALA 90 Ca 0.02 -0.15 -0.36 0.00 0.00 0.00 0.00 53.44 52.95 2guj n ALA 90 Cb 0.39 0.06 -0.12 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.33 4.35 0.41 0.00 1.01 -1.17 -0.64 120.40 124.04 2guj s VAL 91 Ca 0.02 -0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.58 2guj s VAL 91 Cb -0.00 -3.03 -0.10 0.00 0.00 0.00 0.00 36.38 33.25 2guj s VAL 91 CO 0.01 0.34 1.31 -0.11 0.00 0.00 0.00 175.10 176.66 2guj n LEU 92 N 4.84 4.20 -2.48 3.92 7.94 -0.18 -1.02 117.00 134.22 2guj n LEU 92 Ca -0.16 1.13 -0.23 0.00 -1.11 0.00 0.00 56.01 55.64 2guj n LEU 92 Cb 0.51 -1.52 0.01 0.00 0.53 0.00 0.00 43.42 42.95 2guj n LEU 92 CO 0.31 -0.49 0.13 -0.90 -1.11 0.00 0.00 177.39 175.33 2guj n ASP 93 N 0.23 4.10 -4.61 1.96 5.68 -0.98 -4.63 116.55 118.30 2guj n ASP 93 Ca 0.06 -3.51 -0.42 0.00 -0.50 0.00 0.00 54.79 50.41 2guj n ASP 93 Cb 0.39 -0.46 -0.04 0.00 -1.14 0.00 0.00 41.12 39.87 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 -3.48 6.73 0.37 -1.12 -1.08 -1.26 -4.88 116.67 111.94 2guj s ASP 94 Ca 0.44 0.71 0.19 0.00 -0.52 0.00 0.00 52.55 53.36 2guj s ASP 94 Cb 0.41 -2.46 0.62 0.00 -1.46 0.00 0.00 42.92 40.03 2guj s ASP 94 CO -0.13 -0.78 1.70 -0.61 0.52 0.00 0.00 175.17 175.88 2guj h GLN 95 N 8.27 0.00 -0.68 4.34 5.75 -1.96 -2.98 115.11 127.86 2guj h GLN 95 Ca -0.23 0.00 0.20 0.00 -0.15 0.00 0.00 58.65 58.47 2guj h GLN 95 Cb 1.08 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.60 2guj h GLN 95 CO 0.96 0.38 0.49 1.03 -2.65 0.00 0.00 178.83 179.05 2guj h SER 96 N 0.00 0.00 -6.42 -0.69 0.87 -1.98 -3.45 113.55 101.89 2guj h SER 96 Ca -0.00 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.07 2guj h SER 96 Cb 0.95 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.85 2guj h SER 96 CO 0.05 0.00 -0.83 -0.24 -0.53 0.00 0.00 176.83 175.28 2guj n SER 97 N -4.33 -2.43 0.33 6.23 2.88 -1.13 -4.78 113.62 110.39 2guj n SER 97 Ca 0.13 -0.91 0.10 0.00 -1.33 0.00 0.00 58.87 56.87 2guj n SER 97 Cb 0.75 -3.42 0.55 0.00 -0.75 0.00 0.00 64.21 61.34 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 -1.84 0.00 0.00 0.46 0.00 -1.88 -3.34 103.07 96.47 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 0.66 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.74 2guj n ARG 99 N -2.77 0.00 0.00 4.80 3.00 -1.26 -5.16 116.66 115.27 2guj n ARG 99 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 2guj n ARG 99 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.06 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 1.81 -0.13 2.81 -0.13 0.00 -1.26 -5.14 105.19 103.15 2guj n GLY 100 Ca 0.00 0.55 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 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 2.13 -0.31 0.35 2.61 2.01 -1.26 -4.72 115.64 116.44 2guj s THR 101 Ca 0.00 0.07 0.09 0.00 0.31 0.00 0.00 61.69 62.16 2guj s THR 101 Cb 0.00 -0.53 -0.06 0.00 0.01 0.00 0.00 72.50 71.92 2guj s THR 101 CO 0.00 -0.06 -0.04 -1.61 -0.69 0.00 0.00 174.62 172.21 2guj s GLU 102 N 2.32 1.94 0.25 4.92 2.02 -1.25 -2.97 118.70 125.92 2guj s GLU 102 Ca 0.05 -1.87 -0.22 0.00 0.02 0.00 0.00 54.97 52.95 2guj s GLU 102 Cb -0.14 -1.80 -0.09 0.00 0.10 0.00 0.00 34.13 32.20 2guj s GLU 102 CO -0.10 0.13 0.79 0.50 0.02 0.00 0.00 175.26 176.60 2guj s ARG 103 N -3.66 4.37 -0.11 1.61 3.52 -0.49 -1.01 118.95 123.17 2guj s ARG 103 Ca 0.34 1.02 0.03 0.00 -0.13 0.00 0.00 55.73 56.99 2guj s ARG 103 Cb 0.02 -2.88 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 2guj s ARG 103 CO 0.18 0.37 -0.23 0.08 -0.81 0.00 0.00 175.30 174.90 2guj s VAL 104 N -1.52 1.99 0.15 7.11 1.01 0.19 -3.55 120.40 125.77 2guj s VAL 104 Ca 0.44 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.54 2guj s VAL 104 Cb -0.18 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2guj s VAL 104 CO 0.22 0.54 -0.12 0.42 0.00 0.00 0.00 175.10 176.17 2guj s THR 105 N 0.52 3.16 -0.38 3.92 -4.23 -0.12 -0.75 115.64 117.76 2guj s THR 105 Ca -0.15 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 58.87 2guj s THR 105 Cb -0.17 -2.51 0.11 0.00 1.34 0.00 0.00 72.50 71.27 2guj s THR 105 CO 0.05 -0.00 0.13 -0.76 -0.54 0.00 0.00 174.62 173.50 2guj s LEU 106 N -2.51 3.70 0.26 4.79 2.01 0.47 -0.94 118.68 126.47 2guj s LEU 106 Ca 0.22 -2.24 -0.30 0.00 0.01 0.00 0.00 54.13 51.82 2guj s LEU 106 Cb -0.10 -1.34 -0.10 0.00 0.01 0.00 0.00 46.19 44.66 2guj s LEU 106 CO 0.14 -0.35 1.46 -0.31 1.01 0.00 0.00 176.35 178.30 2guj s TYR 107 N 0.80 2.97 -1.50 0.29 2.02 0.25 -2.91 117.35 119.28 2guj s TYR 107 Ca 0.13 1.00 -0.13 0.00 -0.37 0.00 0.00 57.07 57.70 2guj s TYR 107 Cb -0.21 -3.86 0.07 0.00 -0.40 0.00 0.00 41.96 37.56 2guj s TYR 107 CO -0.10 -2.81 1.01 -0.25 -1.57 0.00 0.00 175.55 171.83 2guj n ASP 108 N 2.24 -5.17 -4.74 2.29 9.92 -1.23 -0.92 116.55 118.94 2guj n ASP 108 Ca 0.07 -0.71 -0.36 0.00 -0.53 0.00 0.00 54.79 53.25 2guj n ASP 108 Cb 0.40 -4.12 0.05 0.00 -0.64 0.00 0.00 41.12 36.81 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 -3.29 2.32 -0.28 2.53 0.11 -0.70 -3.44 120.40 117.66 2guj s VAL 109 Ca 0.64 0.20 -0.05 0.00 -2.93 0.00 0.00 61.98 59.85 2guj s VAL 109 Cb -0.31 -3.07 0.15 0.00 -1.53 0.00 0.00 36.38 31.61 2guj s VAL 109 CO 0.79 -0.04 0.56 0.21 -3.33 0.00 0.00 175.10 173.29 2guj s ASN 110 N -1.50 -0.92 0.54 3.54 2.47 -1.19 -2.34 114.94 115.54 2guj s ASN 110 Ca 0.80 1.00 0.06 0.00 0.42 0.00 0.00 52.86 55.14 2guj s ASN 110 Cb -0.34 1.95 0.09 0.00 -1.45 0.00 0.00 41.25 41.50 2guj s ASN 110 CO 0.37 -0.25 0.72 0.49 -3.72 0.00 0.00 177.10 174.71 2guj n PHE 111 N 5.42 -2.56 -3.26 0.43 3.01 -1.26 -1.90 117.46 117.33 2guj n PHE 111 Ca -0.06 -1.70 -0.39 0.00 1.01 0.00 0.00 57.45 56.30 2guj n PHE 111 Cb 0.50 -0.50 -0.07 0.00 -0.01 0.00 0.00 39.48 39.39 2guj n PHE 111 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2guj s ASP 112 N -4.14 6.46 0.05 4.37 2.15 -1.26 -4.76 116.67 119.55 2guj s ASP 112 Ca 0.53 0.56 -0.10 0.00 0.43 0.00 0.00 52.55 53.96 2guj s ASP 112 Cb -0.04 -2.28 -0.03 0.00 -0.30 0.00 0.00 42.92 40.28 2guj s ASP 112 CO 0.34 -0.23 1.18 0.28 -0.17 0.00 0.00 175.17 176.57 2guj h SER 113 N 7.79 -0.69 -0.99 -0.34 0.02 -1.98 -1.10 113.55 116.26 2guj h SER 113 Ca -0.31 0.10 0.17 0.00 -0.84 0.00 0.00 61.79 60.90 2guj h SER 113 Cb 1.15 0.30 -0.17 0.00 0.14 0.00 0.00 62.40 63.82 2guj h SER 113 CO 0.72 -0.09 -0.35 0.00 -1.14 0.00 0.00 176.83 175.96 2guj h ALA 114 N -0.62 0.29 -1.09 3.77 0.00 -1.94 1.30 119.26 120.97 2guj h ALA 114 Ca 0.04 0.31 0.30 0.00 0.00 0.00 0.00 54.91 55.56 2guj h ALA 114 Cb 0.16 0.94 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 2guj h ALA 114 CO -0.28 -0.56 0.74 0.87 0.00 0.00 0.00 179.25 180.02 2guj h LYS 115 N -0.00 0.21 0.16 0.00 1.57 -1.62 0.64 116.57 117.53 2guj h LYS 115 Ca 0.38 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.93 2guj h LYS 115 Cb 0.63 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.92 2guj h LYS 115 CO -1.00 0.14 -0.98 0.82 -0.57 0.00 0.00 179.45 177.86 2guj h ILE 116 N 0.22 1.44 -0.53 1.86 2.04 0.20 -3.26 117.51 119.47 2guj h ILE 116 Ca 0.58 -2.56 0.12 0.00 1.00 0.00 0.00 64.86 63.99 2guj h ILE 116 Cb 1.82 3.14 -0.03 0.00 -0.74 0.00 0.00 36.82 41.02 2guj h ILE 116 CO -0.18 0.74 0.37 0.00 0.00 0.00 0.00 178.15 179.08 2guj h ALA 117 N 0.09 2.22 0.00 1.87 0.00 0.04 0.59 119.26 124.06 2guj h ALA 117 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2guj h ALA 117 Cb 1.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2guj h ALA 117 CO 0.17 -0.35 0.00 0.45 0.00 0.00 0.00 179.25 179.52 2guj n SER 118 N -4.44 0.00 0.01 0.00 2.88 0.02 -3.35 113.62 108.74 2guj n SER 118 Ca 0.09 -0.29 0.07 0.00 -1.33 0.00 0.00 58.87 57.41 2guj n SER 118 Cb 0.46 -0.11 0.31 0.00 -0.75 0.00 0.00 64.21 64.11 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 -1.11 0.06 -2.70 2.46 4.32 0.20 -5.04 117.00 115.19 2guj n LEU 119 Ca 0.11 0.52 -0.07 0.00 -0.02 0.00 0.00 56.01 56.54 2guj n LEU 119 Cb 0.09 -0.51 0.10 0.00 -1.62 0.00 0.00 43.42 41.48 2guj n LEU 119 CO 0.11 -0.29 0.39 -0.67 -1.22 0.00 0.00 177.39 175.70 2guj n ASP 120 N -1.57 -1.32 -3.21 -1.43 2.03 -1.21 -5.07 116.55 104.76 2guj n ASP 120 Ca 0.03 -2.53 -0.14 0.00 0.52 0.00 0.00 54.79 52.67 2guj n ASP 120 Cb 0.17 0.76 0.13 0.00 -0.72 0.00 0.00 41.12 41.46 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 -0.48 -2.30 0.08 -0.67 1.02 -1.26 -5.18 120.64 111.85 2guj n GLU 127 Ca -0.01 -0.65 0.09 0.00 -0.02 0.00 0.00 57.16 56.57 2guj n GLU 127 Cb 0.84 -1.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.23 2guj n GLU 127 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2guj n GLU 128 N -2.77 0.61 -2.40 3.49 1.02 -1.26 -4.77 120.64 114.56 2guj n GLU 128 Ca 0.06 0.13 -0.41 0.00 -0.02 0.00 0.00 57.16 56.92 2guj n GLU 128 Cb 0.27 -1.81 -0.03 0.00 -0.02 0.00 0.00 31.44 29.85 2guj n GLU 128 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2guj s GLU 129 N -3.26 3.20 -0.14 3.49 2.02 -1.26 -4.08 118.70 118.67 2guj s GLU 129 Ca -0.01 0.27 -0.08 0.00 0.02 0.00 0.00 54.97 55.17 2guj s GLU 129 Cb 0.09 -4.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.12 2guj s GLU 129 CO 0.80 -2.07 0.14 0.08 0.02 0.00 0.00 175.26 174.22 2guj s VAL 130 N 6.26 5.47 0.61 2.63 1.01 0.64 -4.86 120.40 132.17 2guj s VAL 130 Ca 0.49 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.55 2guj s VAL 130 Cb -0.10 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2guj s VAL 130 CO 0.22 0.58 1.03 -2.84 0.00 0.00 0.00 175.10 174.09 2guj s PRO 131 N -0.75 3.55 0.06 2.72 0.02 -1.26 -1.54 135.00 137.80 2guj s PRO 131 Ca 0.14 0.83 -0.27 0.00 0.02 0.00 0.00 61.00 61.71 2guj s PRO 131 Cb -0.12 -2.07 0.09 0.00 0.02 0.00 0.00 34.50 32.41 2guj s PRO 131 CO 0.03 -0.60 0.95 -0.59 -0.33 0.00 0.00 177.00 176.45 2guj s PHE 132 N -3.05 -0.23 -0.26 6.54 -0.12 -1.18 -4.54 117.98 115.15 2guj s PHE 132 Ca 0.56 0.02 -0.04 0.00 -0.05 0.00 0.00 56.93 57.42 2guj s PHE 132 Cb -0.11 0.58 0.09 0.00 -0.63 0.00 0.00 43.02 42.95 2guj s PHE 132 CO 0.50 -0.65 0.13 0.95 -0.05 0.00 0.00 175.22 176.09 2guj s THR 133 N -3.15 -0.09 0.73 -4.49 -4.23 -0.80 -2.26 115.64 101.36 2guj s THR 133 Ca 0.09 -0.61 -0.11 0.00 -1.18 0.00 0.00 61.69 59.87 2guj s THR 133 Cb -0.01 -0.89 0.03 0.00 1.34 0.00 0.00 72.50 72.97 2guj s THR 133 CO -0.04 -0.62 1.07 0.72 -0.54 0.00 0.00 174.62 175.22 2guj s PHE 134 N 2.12 2.99 -1.02 3.99 -0.71 -1.16 -3.14 117.98 121.05 2guj s PHE 134 Ca 0.07 1.37 0.09 0.00 -1.04 0.00 0.00 56.93 57.42 2guj s PHE 134 Cb -0.16 -2.95 0.06 0.00 -1.21 0.00 0.00 43.02 38.75 2guj s PHE 134 CO -0.31 -1.42 0.74 0.39 -1.34 0.00 0.00 175.22 173.28 2guj n GLU 135 N -3.24 0.54 -3.63 1.99 4.71 -0.10 -2.15 120.64 118.75 2guj n GLU 135 Ca 0.07 -0.93 -0.04 0.00 -0.01 0.00 0.00 57.16 56.26 2guj n GLU 135 Cb 0.54 -1.14 -0.05 0.00 -1.01 0.00 0.00 31.44 29.78 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 -0.80 -0.12 0.33 1.62 -1.08 -1.05 -3.55 116.67 112.03 2guj s ASP 136 Ca 0.09 0.15 0.06 0.00 -0.52 0.00 0.00 52.55 52.34 2guj s ASP 136 Cb 0.07 0.13 -0.07 0.00 -1.46 0.00 0.00 42.92 41.60 2guj s ASP 136 CO 0.12 -0.09 -0.01 0.72 0.52 0.00 0.00 175.17 176.44 2guj s PHE 137 N -0.77 2.12 -0.05 -5.34 -0.12 -1.22 0.88 117.98 113.48 2guj s PHE 137 Ca 0.06 -0.76 -0.29 0.00 -0.05 0.00 0.00 56.93 55.89 2guj s PHE 137 Cb -0.02 -1.34 0.10 0.00 -0.63 0.00 0.00 43.02 41.13 2guj s PHE 137 CO -0.08 0.25 0.84 0.34 -0.05 0.00 0.00 175.22 176.53 2guj s ASP 138 N -3.53 -0.46 -0.43 1.98 -1.08 -0.12 -4.88 116.67 108.16 2guj s ASP 138 Ca 0.33 0.29 0.08 0.00 -0.52 0.00 0.00 52.55 52.73 2guj s ASP 138 Cb 0.07 0.42 0.26 0.00 -1.46 0.00 0.00 42.92 42.20 2guj s ASP 138 CO 0.15 -0.57 0.58 0.52 0.52 0.00 0.00 175.17 176.36 2guj n VAL 139 N 0.31 -0.15 0.04 1.11 0.31 -1.26 -0.94 118.33 117.75 2guj n VAL 139 Ca -0.13 -4.26 -0.11 0.00 -0.01 0.00 0.00 64.34 59.84 2guj n VAL 139 Cb 0.60 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.63 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 3.93 -0.06 -5.33 5.55 0.13 -1.96 -3.47 132.00 130.79 2guj h PRO 140 Ca 0.09 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.79 2guj h PRO 140 Cb 0.85 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.85 2guj h PRO 140 CO 0.52 -0.04 -0.67 -1.83 -0.23 0.00 0.00 178.00 175.75 2guj s GLU 141 N -6.18 1.43 0.00 0.86 -1.05 -1.26 -5.03 118.70 107.47 2guj s GLU 141 Ca -0.13 -1.71 0.00 0.00 -0.15 0.00 0.00 54.97 52.97 2guj s GLU 141 Cb 0.07 -0.93 0.00 0.00 -0.44 0.00 0.00 34.13 32.84 2guj s GLU 141 CO 0.67 0.00 0.00 1.63 0.95 0.00 0.00 175.26 178.51 2guj n LYS 142 N -0.49 0.00 0.00 -4.83 5.02 -1.26 -1.39 118.16 115.21 2guj n LYS 142 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2guj n LYS 142 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.64 2guj n LYS 142 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2guj n LEU 143 N 0.00 0.00 -3.15 -0.35 -0.00 -1.16 -2.88 117.00 109.46 2guj n LEU 143 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2guj n LEU 143 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2guj n LEU 143 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 177.39 177.15 2guj n SER 144 N 0.00 0.00 -3.49 1.96 2.88 -1.26 -4.57 113.62 109.14 2guj n SER 144 Ca 0.00 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.10 2guj n SER 144 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2guj n SER 144 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2guj n ASP 145 N 0.78 -0.24 -0.64 -3.46 8.00 -1.26 0.25 116.55 119.98 2guj n ASP 145 Ca 0.00 0.90 -0.08 0.00 0.71 0.00 0.00 54.79 56.31 2guj n ASP 145 Cb 0.00 -0.72 -0.04 0.00 -0.02 0.00 0.00 41.12 40.34 2guj n ASP 145 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2guj n THR 146 N 0.89 0.00 -0.39 -3.53 -1.04 -1.26 -5.28 114.28 103.67 2guj n THR 146 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 2guj n THR 146 Cb 0.09 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.35 2guj n THR 146 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76