#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gmd s VAL 17 N 0.00 5.06 -0.58 1.39 1.01 -1.25 -3.99 120.40 122.05 1gmd s VAL 17 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1gmd s VAL 17 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1gmd s VAL 17 CO 0.00 0.37 0.00 0.59 0.00 0.00 0.00 175.10 176.06 1gmd n ASN 18 N 3.19 -3.91 -2.58 3.32 4.13 -1.26 -5.02 115.26 113.14 1gmd n ASN 18 Ca -0.07 0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.33 1gmd n ASN 18 Cb 0.51 -1.89 0.00 0.00 -1.54 0.00 0.00 39.78 36.87 1gmd n ASN 18 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1gmd n GLY 19 N -1.99 -0.52 3.23 7.41 0.00 -1.26 -5.12 105.19 106.94 1gmd n GLY 19 Ca -0.05 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 1gmd n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gmd s GLU 20 N -0.19 0.79 0.28 1.61 -1.05 -1.26 -5.13 118.70 113.75 1gmd s GLU 20 Ca 0.00 -0.58 -0.29 0.00 -0.15 0.00 0.00 54.97 53.95 1gmd s GLU 20 Cb 0.00 0.34 -0.10 0.00 -0.44 0.00 0.00 34.13 33.93 1gmd s GLU 20 CO 0.00 -0.25 1.34 -2.00 0.95 0.00 0.00 175.26 175.30 1gmd s GLU 21 N -2.70 4.34 0.60 -4.83 2.12 -1.26 -5.02 118.70 111.96 1gmd s GLU 21 Ca -0.04 2.20 -0.02 0.00 0.36 0.00 0.00 54.97 57.47 1gmd s GLU 21 Cb -0.00 -3.11 0.04 0.00 0.26 0.00 0.00 34.13 31.32 1gmd s GLU 21 CO -0.04 -0.26 0.87 0.00 -0.54 0.00 0.00 175.26 175.29 1gmd s ALA 22 N -0.57 3.56 -0.03 6.30 0.00 -1.26 -5.05 121.76 124.71 1gmd s ALA 22 Ca 0.53 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 1gmd s ALA 22 Cb -0.40 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 1gmd s ALA 22 CO 0.47 -0.93 1.09 0.08 0.00 0.00 0.00 175.76 176.47 1gmd s VAL 23 N -2.95 4.53 -0.30 0.00 1.01 -1.26 -4.93 120.40 116.50 1gmd s VAL 23 Ca 0.57 1.82 -0.38 0.00 0.00 0.00 0.00 61.98 63.99 1gmd s VAL 23 Cb -0.10 -4.17 -0.14 0.00 0.00 0.00 0.00 36.38 31.97 1gmd s VAL 23 CO 0.41 0.07 1.95 -2.65 0.00 0.00 0.00 175.10 174.88 1gmd n PRO 24 N 4.52 1.17 -0.77 2.72 -0.02 -1.26 -1.08 135.00 140.29 1gmd n PRO 24 Ca 0.09 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1gmd n PRO 24 Cb 0.48 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1gmd n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gmd n GLY 25 N 5.31 0.66 0.04 -1.23 0.00 -1.26 -4.93 105.19 103.79 1gmd n GLY 25 Ca 0.33 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.50 1gmd n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gmd n SER 26 N 0.00 0.21 -3.30 1.61 3.41 -0.24 -3.83 113.62 111.48 1gmd n SER 26 Ca 0.00 -0.15 -0.25 0.00 -0.26 0.00 0.00 58.87 58.20 1gmd n SER 26 Cb 0.00 -0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 63.66 1gmd n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1gmd n TRP 27 N -1.24 1.16 0.16 7.33 7.02 -1.26 -5.00 117.44 125.60 1gmd n TRP 27 Ca 0.12 -3.79 0.03 0.00 -1.02 0.00 0.00 57.50 52.85 1gmd n TRP 27 Cb 0.28 -0.41 0.15 0.00 -2.42 0.00 0.00 31.31 28.92 1gmd n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1gmd n PRO 28 N 1.27 0.02 0.05 -0.99 -0.04 -1.25 -2.21 135.00 131.85 1gmd n PRO 28 Ca 0.25 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 64.26 1gmd n PRO 28 Cb 0.48 -1.56 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 1gmd n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1gmd n TRP 29 N -1.60 0.50 -1.81 0.54 2.14 -1.11 -1.72 117.44 114.38 1gmd n TRP 29 Ca 0.01 0.14 -0.42 0.00 2.07 0.00 0.00 57.50 59.30 1gmd n TRP 29 Cb 0.06 -0.70 -0.03 0.00 -0.81 0.00 0.00 31.31 29.83 1gmd n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1gmd s GLN 30 N -3.38 4.16 0.34 -2.67 2.00 -0.94 -0.61 119.66 118.56 1gmd s GLN 30 Ca -0.02 2.49 0.08 0.00 -2.00 0.00 0.00 55.36 55.91 1gmd s GLN 30 Cb 0.12 -3.52 -0.07 0.00 0.80 0.00 0.00 33.01 30.35 1gmd s GLN 30 CO 0.83 -0.78 -0.06 0.14 -0.50 0.00 0.00 175.29 174.92 1gmd s VAL 31 N 2.45 2.00 -0.14 1.34 -7.23 0.17 -4.66 120.40 114.33 1gmd s VAL 31 Ca 0.77 -2.15 -0.02 0.00 -1.81 0.00 0.00 61.98 58.78 1gmd s VAL 31 Cb -0.44 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 1gmd s VAL 31 CO 0.34 -0.19 -0.09 -0.55 -0.31 0.00 0.00 175.10 174.31 1gmd s SER 32 N -3.57 4.39 -0.26 4.85 0.15 0.44 -2.39 113.70 117.31 1gmd s SER 32 Ca 0.32 -0.22 -0.11 0.00 0.70 0.00 0.00 55.95 56.64 1gmd s SER 32 Cb 0.04 -1.66 -0.05 0.00 -1.71 0.00 0.00 66.02 62.64 1gmd s SER 32 CO 0.15 0.18 0.20 -0.76 1.20 0.00 0.00 173.24 174.21 1gmd s LEU 33 N 0.29 4.07 -0.02 3.45 1.43 0.15 -0.07 118.68 127.99 1gmd s LEU 33 Ca -0.07 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1gmd s LEU 33 Cb -0.15 -2.15 -0.00 0.00 0.03 0.00 0.00 46.19 43.92 1gmd s LEU 33 CO 0.04 -0.00 -0.09 -1.10 0.23 0.00 0.00 176.35 175.43 1gmd s GLN 34 N 1.42 0.84 0.83 1.70 -0.21 -0.36 -1.12 119.66 122.76 1gmd s GLN 34 Ca 0.08 -0.32 -0.14 0.00 0.02 0.00 0.00 55.36 55.00 1gmd s GLN 34 Cb -0.15 -0.80 0.20 0.00 1.00 0.00 0.00 33.01 33.26 1gmd s GLN 34 CO 0.08 0.16 0.94 -0.40 -2.12 0.00 0.00 175.29 173.95 1gmd n ASP 35 N 3.04 -0.72 0.13 5.90 5.68 -0.74 -0.05 116.55 129.78 1gmd n ASP 35 Ca -0.15 -1.22 0.11 0.00 -0.50 0.00 0.00 54.79 53.03 1gmd n ASP 35 Cb 0.56 -0.77 0.50 0.00 -1.14 0.00 0.00 41.12 40.26 1gmd n ASP 35 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1gmd n LYS 36 N -3.53 0.16 -0.01 0.11 2.85 -1.26 -1.93 118.16 114.55 1gmd n LYS 36 Ca 0.12 0.50 0.14 0.00 -1.05 0.00 0.00 58.31 58.03 1gmd n LYS 36 Cb 0.44 -1.87 0.65 0.00 -0.65 0.00 0.00 35.03 33.60 1gmd n LYS 36 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1gmd n THR 37 N -2.18 0.03 -0.70 0.58 -2.24 -1.26 -4.90 114.28 103.60 1gmd n THR 37 Ca 0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1gmd n THR 37 Cb 0.14 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1gmd n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gmd n GLY 38 N 1.08 0.62 3.63 3.38 0.00 -0.81 -5.04 105.19 108.05 1gmd n GLY 38 Ca 0.20 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1gmd n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gmd s PHE 39 N -2.00 3.27 -0.10 1.61 5.36 -1.25 -4.88 117.98 119.99 1gmd s PHE 39 Ca 0.00 0.92 -0.30 0.00 -0.96 0.00 0.00 56.93 56.60 1gmd s PHE 39 Cb 0.00 -3.03 -0.03 0.00 -0.34 0.00 0.00 43.02 39.62 1gmd s PHE 39 CO 0.00 -0.43 1.33 -1.58 -1.46 0.00 0.00 175.22 173.09 1gmd s HIS 40 N 2.76 2.79 0.00 10.12 5.65 -1.26 -1.79 115.29 133.56 1gmd s HIS 40 Ca 0.31 0.89 0.00 0.00 0.25 0.00 0.00 55.06 56.51 1gmd s HIS 40 Cb -0.15 -3.58 0.00 0.00 -1.18 0.00 0.00 32.58 27.67 1gmd s HIS 40 CO 0.09 -2.08 0.00 1.97 -0.65 0.00 0.00 174.74 174.07 1gmd n PHE 41 N 6.17 0.00 -3.48 3.88 -1.74 -0.27 -4.99 117.46 117.03 1gmd n PHE 41 Ca 0.14 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.87 1gmd n PHE 41 Cb 0.45 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.40 1gmd n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1gmd s GLY 43 N -1.83 1.76 -0.12 0.00 0.00 -1.26 0.30 107.32 106.17 1gmd s GLY 43 Ca -0.06 -1.97 -0.32 0.00 0.00 0.00 0.00 44.72 42.37 1gmd s GLY 43 CO 0.00 -1.51 1.06 -0.32 0.00 0.00 0.00 173.10 172.33 1gmd s GLY 44 N -4.66 -0.34 -0.08 0.20 0.00 -1.01 -4.67 107.32 96.77 1gmd s GLY 44 Ca 0.63 1.50 0.05 0.00 0.00 0.00 0.00 44.72 46.90 1gmd s GLY 44 CO 0.40 0.57 -0.24 -0.56 0.00 0.00 0.00 173.10 173.27 1gmd s SER 45 N -2.06 3.05 -0.06 1.64 0.01 0.90 0.42 113.70 117.59 1gmd s SER 45 Ca 0.06 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 1gmd s SER 45 Cb -0.01 -1.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.01 1gmd s SER 45 CO -0.06 0.19 1.31 -0.22 0.41 0.00 0.00 173.24 174.88 1gmd s LEU 46 N 0.15 4.27 -0.01 2.44 2.96 0.22 0.52 118.68 129.24 1gmd s LEU 46 Ca -0.13 1.91 0.18 0.00 -0.22 0.00 0.00 54.13 55.87 1gmd s LEU 46 Cb -0.16 -3.55 -0.21 0.00 0.50 0.00 0.00 46.19 42.76 1gmd s LEU 46 CO 0.07 -0.69 0.66 2.30 -1.32 0.00 0.00 176.35 177.37 1gmd n ILE 47 N 4.87 0.00 -3.91 6.68 -5.35 -0.07 -1.98 119.36 119.60 1gmd n ILE 47 Ca 0.13 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1gmd n ILE 47 Cb 0.45 0.78 0.01 0.00 -1.74 0.00 0.00 39.64 39.14 1gmd n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1gmd n ASN 48 N -1.59 -1.18 0.00 7.28 6.94 -1.14 -4.73 115.26 120.84 1gmd n ASN 48 Ca 0.02 -1.44 0.08 0.00 -0.02 0.00 0.00 54.58 53.21 1gmd n ASN 48 Cb 0.32 1.87 0.45 0.00 -2.36 0.00 0.00 39.78 40.07 1gmd n ASN 48 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1gmd n GLU 49 N -0.68 0.76 0.00 -3.83 4.71 -1.26 -3.15 120.64 117.19 1gmd n GLU 49 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 1gmd n GLU 49 Cb 0.47 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 1gmd n GLU 49 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1gmd n ASN 50 N -0.81 0.19 -3.91 1.62 3.02 -1.26 -0.42 115.26 113.69 1gmd n ASN 50 Ca 0.11 -0.89 -0.18 0.00 -0.03 0.00 0.00 54.58 53.60 1gmd n ASN 50 Cb 0.05 0.03 -0.16 0.00 -0.61 0.00 0.00 39.78 39.09 1gmd n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1gmd s TRP 51 N -0.03 0.59 0.01 3.10 0.52 -1.19 -1.67 118.94 120.28 1gmd s TRP 51 Ca 0.00 -0.13 0.07 0.00 0.02 0.00 0.00 56.10 56.06 1gmd s TRP 51 Cb 0.00 -0.50 -0.02 0.00 -1.15 0.00 0.00 33.47 31.79 1gmd s TRP 51 CO 0.00 -0.12 -0.21 0.54 0.02 0.00 0.00 176.95 177.18 1gmd s VAL 52 N 0.57 1.70 -0.11 4.03 0.11 -0.98 -0.89 120.40 124.82 1gmd s VAL 52 Ca -0.07 -1.05 -0.01 0.00 -2.93 0.00 0.00 61.98 57.92 1gmd s VAL 52 Cb -0.10 -1.44 -0.03 0.00 -1.53 0.00 0.00 36.38 33.28 1gmd s VAL 52 CO -0.00 0.36 -0.08 0.68 -3.33 0.00 0.00 175.10 172.73 1gmd s VAL 53 N -0.63 3.60 0.30 2.04 -7.23 0.19 -1.57 120.40 117.09 1gmd s VAL 53 Ca 0.08 -0.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.77 1gmd s VAL 53 Cb -0.08 -2.51 -0.00 0.00 0.56 0.00 0.00 36.38 34.34 1gmd s VAL 53 CO 0.00 0.55 0.38 1.07 -0.31 0.00 0.00 175.10 176.79 1gmd n THR 54 N 2.95 0.00 -2.96 5.32 5.66 -0.56 -0.07 114.28 124.62 1gmd n THR 54 Ca -0.18 -1.71 -0.40 0.00 -3.05 0.00 0.00 64.05 58.72 1gmd n THR 54 Cb 0.53 0.99 -0.05 0.00 -1.55 0.00 0.00 70.33 70.24 1gmd n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gmd s ALA 55 N -2.77 3.40 0.42 1.79 0.00 -1.26 -1.19 121.76 122.14 1gmd s ALA 55 Ca 0.28 0.34 0.15 0.00 0.00 0.00 0.00 51.96 52.73 1gmd s ALA 55 Cb -0.00 -3.00 0.96 0.00 0.00 0.00 0.00 23.12 21.08 1gmd s ALA 55 CO 0.20 0.17 1.96 0.00 0.00 0.00 0.00 175.76 178.08 1gmd h ALA 56 N 5.02 1.58 0.00 0.00 0.00 -1.74 -1.94 119.26 122.18 1gmd h ALA 56 Ca -0.45 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1gmd h ALA 56 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1gmd h ALA 56 CO 0.69 0.28 0.00 1.12 0.00 0.00 0.00 179.25 181.34 1gmd h HIS 57 N 0.00 0.00 0.00 0.00 2.07 -1.93 -2.21 115.15 113.08 1gmd h HIS 57 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1gmd h HIS 57 Cb 0.41 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.39 1gmd h HIS 57 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1gmd n GLY 59 N -1.02 -0.60 3.78 0.00 0.00 -0.83 -4.96 105.19 101.57 1gmd n GLY 59 Ca -0.01 0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 1gmd n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gmd s VAL 60 N -3.60 3.44 0.21 1.61 1.01 -1.26 -5.06 120.40 116.75 1gmd s VAL 60 Ca 0.20 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1gmd s VAL 60 Cb -0.06 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1gmd s VAL 60 CO 0.82 -0.31 0.10 0.42 0.00 0.00 0.00 175.10 176.13 1gmd s THR 61 N -2.13 0.27 -0.62 3.92 -4.23 -1.26 -4.99 115.64 106.60 1gmd s THR 61 Ca 0.68 -1.99 0.19 0.00 -1.18 0.00 0.00 61.69 59.40 1gmd s THR 61 Cb -0.20 -2.47 0.19 0.00 1.34 0.00 0.00 72.50 71.36 1gmd s THR 61 CO 0.32 -0.09 1.60 0.35 -0.54 0.00 0.00 174.62 176.26 1gmd n THR 62 N -0.32 0.97 0.47 3.99 -2.24 -1.26 -2.12 114.28 113.77 1gmd n THR 62 Ca -0.00 0.31 0.12 0.00 -2.27 0.00 0.00 64.05 62.21 1gmd n THR 62 Cb 0.66 -1.20 0.22 0.00 -2.10 0.00 0.00 70.33 67.90 1gmd n THR 62 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1gmd h SER 63 N 0.00 0.00 -4.31 3.42 4.64 -1.97 -3.40 113.55 111.94 1gmd h SER 63 Ca 0.00 -0.08 -0.52 0.00 -0.47 0.00 0.00 61.79 60.72 1gmd h SER 63 Cb 0.27 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.50 1gmd h SER 63 CO 0.00 0.04 0.31 -1.81 -0.87 0.00 0.00 176.83 174.51 1gmd s ASP 64 N -4.79 4.41 0.04 4.97 1.01 -0.90 -4.23 116.67 117.18 1gmd s ASP 64 Ca 0.07 1.86 0.07 0.00 0.71 0.00 0.00 52.55 55.26 1gmd s ASP 64 Cb 0.11 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 1gmd s ASP 64 CO 0.68 -2.10 -0.20 -0.69 0.21 0.00 0.00 175.17 173.08 1gmd s VAL 65 N -2.86 1.60 -0.25 -1.27 1.01 0.92 -4.26 120.40 115.30 1gmd s VAL 65 Ca 0.62 -1.14 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1gmd s VAL 65 Cb -0.18 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1gmd s VAL 65 CO 0.56 0.21 0.14 -0.69 0.00 0.00 0.00 175.10 175.31 1gmd s VAL 66 N -0.77 5.09 -0.16 2.92 1.01 -0.16 -1.23 120.40 127.10 1gmd s VAL 66 Ca 0.07 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1gmd s VAL 66 Cb -0.09 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1gmd s VAL 66 CO 0.01 0.33 -0.02 -0.69 0.00 0.00 0.00 175.10 174.73 1gmd s VAL 67 N 1.26 3.99 0.21 2.92 1.01 0.91 -0.20 120.40 130.51 1gmd s VAL 67 Ca 0.07 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.81 1gmd s VAL 67 Cb -0.14 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1gmd s VAL 67 CO 0.06 0.49 -0.16 0.00 0.00 0.00 0.00 175.10 175.48 1gmd s ALA 68 N 0.39 2.14 -0.28 5.51 0.00 -0.61 -0.42 121.76 128.50 1gmd s ALA 68 Ca -0.03 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1gmd s ALA 68 Cb -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1gmd s ALA 68 CO 0.03 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.33 1gmd n GLY 69 N -0.32 0.58 3.84 0.00 0.00 -1.26 0.35 105.19 108.38 1gmd n GLY 69 Ca -0.08 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 1gmd n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gmd s GLU 70 N -1.50 3.33 0.04 1.61 2.12 -1.26 -4.37 118.70 118.67 1gmd s GLU 70 Ca 0.00 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.09 1gmd s GLU 70 Cb 0.00 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.31 1gmd s GLU 70 CO 0.00 0.74 0.00 0.34 -0.54 0.00 0.00 175.26 175.80 1gmd n PHE 71 N 1.75 -0.17 -3.78 5.30 7.35 -1.26 -4.85 117.46 121.80 1gmd n PHE 71 Ca -0.18 0.03 -0.37 0.00 -0.76 0.00 0.00 57.45 56.18 1gmd n PHE 71 Cb 0.54 0.14 -0.13 0.00 0.35 0.00 0.00 39.48 40.38 1gmd n PHE 71 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1gmd s ASP 72 N -5.18 4.99 0.30 -2.13 -1.08 -1.26 -4.98 116.67 107.34 1gmd s ASP 72 Ca 0.00 -0.40 0.07 0.00 -0.52 0.00 0.00 52.55 51.70 1gmd s ASP 72 Cb 0.00 -1.88 0.48 0.00 -1.46 0.00 0.00 42.92 40.06 1gmd s ASP 72 CO 0.00 -0.08 1.72 1.56 0.52 0.00 0.00 175.17 178.89 1gmd h GLN 73 N 8.22 0.24 0.00 4.34 4.20 -2.03 -2.93 115.11 127.15 1gmd h GLN 73 Ca -0.37 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1gmd h GLN 73 Cb 1.16 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1gmd h GLN 73 CO 0.59 0.59 0.00 0.41 -0.67 0.00 0.00 178.83 179.76 1gmd n GLY 74 N -0.25 -0.97 3.85 3.46 0.00 -1.26 -4.85 105.19 105.17 1gmd n GLY 74 Ca -0.01 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1gmd n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gmd s SER 75 N -1.95 6.72 0.00 1.61 0.15 -1.11 -4.97 113.70 114.15 1gmd s SER 75 Ca 0.44 0.86 0.16 0.00 0.70 0.00 0.00 55.95 58.12 1gmd s SER 75 Cb 0.20 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 62.26 1gmd s SER 75 CO 0.34 0.30 0.80 -1.54 1.20 0.00 0.00 173.24 174.34 1gmd n SER 76 N 1.61 1.41 -1.57 5.45 3.41 -1.26 -4.49 113.62 118.18 1gmd n SER 76 Ca -0.13 -1.21 0.07 0.00 -0.26 0.00 0.00 58.87 57.34 1gmd n SER 76 Cb 0.53 0.59 0.33 0.00 -0.26 0.00 0.00 64.21 65.39 1gmd n SER 76 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1gmd n SER 77 N -0.40 4.66 -4.85 4.04 3.41 -1.26 -4.94 113.62 114.29 1gmd n SER 77 Ca 0.06 -2.61 -0.37 0.00 -0.26 0.00 0.00 58.87 55.69 1gmd n SER 77 Cb 0.31 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.59 1gmd n SER 77 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1gmd s GLU 78 N -2.19 3.68 -1.39 4.33 2.02 -1.26 -4.99 118.70 118.90 1gmd s GLU 78 Ca 0.46 0.02 -0.09 0.00 0.02 0.00 0.00 54.97 55.38 1gmd s GLU 78 Cb 0.32 -3.23 -0.11 0.00 0.10 0.00 0.00 34.13 31.21 1gmd s GLU 78 CO 0.17 0.68 3.04 0.36 0.02 0.00 0.00 175.26 179.53 1gmd n LYS 79 N 2.16 3.43 -1.69 1.61 -0.00 -1.26 -4.95 118.16 117.47 1gmd n LYS 79 Ca -0.18 -2.02 -0.31 0.00 -0.00 0.00 0.00 58.31 55.81 1gmd n LYS 79 Cb 0.54 -2.68 0.04 0.00 -0.00 0.00 0.00 35.03 32.92 1gmd n LYS 79 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1gmd s ILE 80 N 2.04 4.15 -0.31 0.58 -4.36 -1.26 -4.83 121.20 117.20 1gmd s ILE 80 Ca 0.69 0.73 -0.03 0.00 -0.26 0.00 0.00 60.65 61.78 1gmd s ILE 80 Cb 0.20 -3.49 0.05 0.00 1.25 0.00 0.00 42.46 40.47 1gmd s ILE 80 CO -0.05 -0.88 0.03 -1.10 0.24 0.00 0.00 174.94 173.18 1gmd s GLN 81 N -4.95 2.44 -0.85 0.37 -0.21 0.15 -4.96 119.66 111.65 1gmd s GLN 81 Ca 0.58 -1.28 -0.19 0.00 0.02 0.00 0.00 55.36 54.49 1gmd s GLN 81 Cb -0.14 -3.25 0.12 0.00 1.00 0.00 0.00 33.01 30.74 1gmd s GLN 81 CO 0.53 -0.65 1.06 0.15 -2.12 0.00 0.00 175.29 174.25 1gmd s LYS 82 N 1.27 3.46 0.00 2.91 1.02 -1.26 -1.57 119.74 125.58 1gmd s LYS 82 Ca -0.04 -1.56 -0.19 0.00 0.02 0.00 0.00 55.97 54.20 1gmd s LYS 82 Cb -0.20 -4.72 -0.06 0.00 -0.52 0.00 0.00 37.83 32.33 1gmd s LYS 82 CO -0.01 -1.75 0.55 -0.51 -0.92 0.00 0.00 175.35 172.71 1gmd s LEU 83 N 2.90 4.44 0.18 3.17 1.43 0.72 -4.92 118.68 126.60 1gmd s LEU 83 Ca 0.29 1.12 -0.09 0.00 -1.03 0.00 0.00 54.13 54.41 1gmd s LEU 83 Cb -0.09 -2.84 -0.07 0.00 0.03 0.00 0.00 46.19 43.23 1gmd s LEU 83 CO -0.05 0.17 0.50 -0.54 0.23 0.00 0.00 176.35 176.66 1gmd s LYS 84 N -0.45 3.79 -0.25 1.70 1.02 -1.26 -0.99 119.74 123.30 1gmd s LYS 84 Ca 0.29 0.23 -0.16 0.00 0.02 0.00 0.00 55.97 56.34 1gmd s LYS 84 Cb -0.18 -2.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 1gmd s LYS 84 CO 0.16 0.40 0.44 0.42 -0.92 0.00 0.00 175.35 175.85 1gmd s ILE 85 N -1.68 5.14 -0.03 2.17 1.01 -1.26 -1.25 121.20 125.30 1gmd s ILE 85 Ca 0.43 0.72 -0.21 0.00 0.00 0.00 0.00 60.65 61.60 1gmd s ILE 85 Cb -0.12 -3.76 -0.30 0.00 0.01 0.00 0.00 42.46 38.29 1gmd s ILE 85 CO 0.21 0.15 0.94 0.00 0.00 0.00 0.00 174.94 176.24 1gmd h ALA 86 N 7.94 -0.07 -2.48 9.38 0.00 -0.30 -3.44 119.26 130.30 1gmd h ALA 86 Ca -0.31 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 53.81 1gmd h ALA 86 Cb 1.15 0.09 -0.23 0.00 0.00 0.00 0.00 17.79 18.81 1gmd h ALA 86 CO 0.69 0.40 -0.11 0.21 0.00 0.00 0.00 179.25 180.44 1gmd s LYS 87 N -2.59 0.63 -0.21 0.00 2.20 -0.95 -4.98 119.74 113.84 1gmd s LYS 87 Ca -0.13 0.62 -0.10 0.00 -0.36 0.00 0.00 55.97 56.01 1gmd s LYS 87 Cb 0.02 0.30 -0.05 0.00 -1.51 0.00 0.00 37.83 36.59 1gmd s LYS 87 CO 0.84 -0.09 0.12 0.08 -0.36 0.00 0.00 175.35 175.94 1gmd s VAL 88 N 0.08 5.23 -0.69 4.02 1.01 -1.26 -0.88 120.40 127.91 1gmd s VAL 88 Ca -0.02 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1gmd s VAL 88 Cb -0.03 -3.40 0.17 0.00 0.00 0.00 0.00 36.38 33.12 1gmd s VAL 88 CO 0.01 0.41 0.49 -0.36 0.00 0.00 0.00 175.10 175.66 1gmd s PHE 89 N 0.61 3.51 -0.12 5.22 0.08 0.23 -4.99 117.98 122.52 1gmd s PHE 89 Ca 0.07 -3.07 -0.30 0.00 0.12 0.00 0.00 56.93 53.76 1gmd s PHE 89 Cb -0.12 -2.99 -0.02 0.00 -0.57 0.00 0.00 43.02 39.32 1gmd s PHE 89 CO 0.01 -0.71 1.15 0.21 -0.10 0.00 0.00 175.22 175.77 1gmd s LYS 90 N -0.80 4.32 -0.05 0.44 2.20 -1.26 -0.67 119.74 123.92 1gmd s LYS 90 Ca 0.22 1.56 -0.37 0.00 -0.36 0.00 0.00 55.97 57.02 1gmd s LYS 90 Cb -0.14 -3.62 -0.15 0.00 -1.51 0.00 0.00 37.83 32.41 1gmd s LYS 90 CO -0.08 -0.52 1.60 -1.71 -0.36 0.00 0.00 175.35 174.29 1gmd n ASN 91 N 5.69 2.44 0.04 1.43 2.85 -0.91 -4.82 115.26 121.98 1gmd n ASN 91 Ca 0.11 1.07 0.06 0.00 -0.11 0.00 0.00 54.58 55.72 1gmd n ASN 91 Cb 0.46 -1.24 0.28 0.00 1.24 0.00 0.00 39.78 40.51 1gmd n ASN 91 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1gmd n SER 92 N 4.30 0.17 0.02 1.20 3.41 -1.26 -1.77 113.62 119.69 1gmd n SER 92 Ca 0.21 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 1gmd n SER 92 Cb 0.20 -0.59 0.18 0.00 -0.26 0.00 0.00 64.21 63.75 1gmd n SER 92 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1gmd n LYS 93 N -1.70 0.13 -1.67 4.33 5.02 -1.26 -4.93 118.16 118.08 1gmd n LYS 93 Ca 0.02 0.02 -0.50 0.00 -2.02 0.00 0.00 58.31 55.83 1gmd n LYS 93 Cb 0.11 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.50 1gmd n LYS 93 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1gmd n TYR 94 N -1.74 2.22 -3.55 2.13 9.36 -0.73 -4.68 117.16 120.16 1gmd n TYR 94 Ca 0.04 0.10 -0.41 0.00 3.32 0.00 0.00 57.90 60.95 1gmd n TYR 94 Cb 0.38 -2.62 -0.08 0.00 -0.63 0.00 0.00 39.34 36.38 1gmd n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1gmd s ASN 95 N 4.41 5.71 0.59 2.98 3.84 0.51 -4.95 114.94 128.03 1gmd s ASN 95 Ca 0.95 -1.89 0.38 0.00 0.21 0.00 0.00 52.86 52.52 1gmd s ASN 95 Cb -0.76 -2.02 1.83 0.00 -0.55 0.00 0.00 41.25 39.76 1gmd s ASN 95 CO 0.54 -0.69 2.15 0.77 -2.79 0.00 0.00 177.10 177.07 1gmd h SER 96 N 8.46 0.00 -0.12 -4.21 4.64 -1.92 1.79 113.55 122.20 1gmd h SER 96 Ca -0.21 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.88 1gmd h SER 96 Cb 1.07 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1gmd h SER 96 CO 0.86 0.00 -0.81 -0.07 -0.87 0.00 0.00 176.83 175.94 1gmd h LEU 97 N 0.00 0.93 -0.29 5.97 4.07 -1.97 -3.33 115.31 120.69 1gmd h LEU 97 Ca 0.00 -0.63 0.00 0.00 0.08 0.00 0.00 57.88 57.33 1gmd h LEU 97 Cb 0.28 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1gmd h LEU 97 CO 0.00 1.43 -0.55 0.35 -1.08 0.00 0.00 178.44 178.59 1gmd n THR 98 N -3.92 0.00 -2.71 0.22 -2.24 -0.83 -4.97 114.28 99.82 1gmd n THR 98 Ca -0.08 -0.23 -0.19 0.00 -2.27 0.00 0.00 64.05 61.29 1gmd n THR 98 Cb 0.76 1.06 0.02 0.00 -2.10 0.00 0.00 70.33 70.07 1gmd n THR 98 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1gmd n ILE 99 N -0.93 -1.43 -3.34 2.28 5.41 0.60 -4.99 119.36 116.96 1gmd n ILE 99 Ca 0.04 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.46 1gmd n ILE 99 Cb 0.25 -2.98 -0.06 0.00 -0.71 0.00 0.00 39.64 36.15 1gmd n ILE 99 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1gmd s ASN 100 N -2.55 6.73 -1.25 4.38 3.04 -0.74 -4.18 114.94 120.38 1gmd s ASN 100 Ca 0.17 1.04 -0.03 0.00 0.04 0.00 0.00 52.86 54.09 1gmd s ASN 100 Cb -0.07 -2.28 0.00 0.00 -1.54 0.00 0.00 41.25 37.36 1gmd s ASN 100 CO 0.21 -0.03 1.06 0.59 -3.04 0.00 0.00 177.10 175.89 1gmd n ASN 101 N 0.19 -3.33 -4.03 -4.21 3.02 -1.26 -0.36 115.26 105.27 1gmd n ASN 101 Ca -0.01 -0.60 -0.41 0.00 -0.03 0.00 0.00 54.58 53.54 1gmd n ASN 101 Cb 0.52 -5.10 -0.02 0.00 -0.61 0.00 0.00 39.78 34.57 1gmd n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1gmd n ASP 102 N -3.10 3.69 -3.79 6.41 2.03 -1.26 -4.04 116.55 116.50 1gmd n ASP 102 Ca -0.20 -2.80 -0.13 0.00 0.52 0.00 0.00 54.79 52.18 1gmd n ASP 102 Cb 0.64 -1.56 -0.12 0.00 -0.72 0.00 0.00 41.12 39.35 1gmd n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1gmd s ILE 103 N 5.00 -0.01 0.01 5.18 2.07 -1.26 -3.51 121.20 128.68 1gmd s ILE 103 Ca 0.54 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.81 1gmd s ILE 103 Cb 0.10 -0.30 -0.01 0.00 0.13 0.00 0.00 42.46 42.38 1gmd s ILE 103 CO 0.03 0.01 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.17 1gmd s THR 104 N 0.28 0.08 -0.09 4.00 2.01 -0.34 -2.15 115.64 119.42 1gmd s THR 104 Ca -0.01 -0.34 -0.00 0.00 0.31 0.00 0.00 61.69 61.65 1gmd s THR 104 Cb -0.03 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 1gmd s THR 104 CO -0.01 -0.17 -0.07 -0.76 -0.69 0.00 0.00 174.62 172.92 1gmd s LEU 105 N -0.53 3.13 -0.12 4.42 1.43 0.16 -1.50 118.68 125.67 1gmd s LEU 105 Ca -0.05 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1gmd s LEU 105 Cb -0.04 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 1gmd s LEU 105 CO -0.00 0.30 -0.16 -0.76 0.23 0.00 0.00 176.35 175.97 1gmd s LEU 106 N -0.46 2.58 -0.34 1.79 2.01 -0.61 0.75 118.68 124.41 1gmd s LEU 106 Ca 0.07 -0.37 -0.12 0.00 0.01 0.00 0.00 54.13 53.72 1gmd s LEU 106 Cb -0.12 -1.56 -0.01 0.00 0.01 0.00 0.00 46.19 44.51 1gmd s LEU 106 CO 0.02 0.18 0.22 -0.75 1.01 0.00 0.00 176.35 177.03 1gmd s LYS 107 N 0.26 3.37 0.19 1.70 2.20 -0.06 -2.32 119.74 125.08 1gmd s LYS 107 Ca -0.11 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 54.48 1gmd s LYS 107 Cb -0.16 -3.75 -0.08 0.00 -1.51 0.00 0.00 37.83 32.33 1gmd s LYS 107 CO 0.06 -0.47 1.25 -0.51 -0.36 0.00 0.00 175.35 175.31 1gmd s LEU 108 N 1.68 4.43 0.16 5.43 1.43 -0.67 0.42 118.68 131.55 1gmd s LEU 108 Ca 0.05 2.30 0.08 0.00 -1.03 0.00 0.00 54.13 55.53 1gmd s LEU 108 Cb -0.18 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.35 1gmd s LEU 108 CO 0.09 -0.44 1.35 0.77 0.23 0.00 0.00 176.35 178.35 1gmd h SER 109 N 5.34 0.00 -3.44 2.29 4.64 -1.46 -3.41 113.55 117.51 1gmd h SER 109 Ca -0.45 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.16 1gmd h SER 109 Cb 1.21 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.04 1gmd h SER 109 CO 0.76 0.91 -0.44 0.42 -0.87 0.00 0.00 176.83 177.60 1gmd s THR 110 N -2.89 4.51 0.19 2.95 -4.23 -1.25 -5.00 115.64 109.93 1gmd s THR 110 Ca 0.01 -1.24 -0.32 0.00 -1.18 0.00 0.00 61.69 58.96 1gmd s THR 110 Cb 0.10 -3.70 -0.12 0.00 1.34 0.00 0.00 72.50 70.12 1gmd s THR 110 CO 0.81 -0.48 1.73 0.00 -0.54 0.00 0.00 174.62 176.14 1gmd n ALA 111 N 4.99 2.65 -1.77 3.99 0.00 -1.26 -4.73 120.51 124.39 1gmd n ALA 111 Ca -0.11 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.34 1gmd n ALA 111 Cb 0.44 -2.52 -0.01 0.00 0.00 0.00 0.00 19.45 17.36 1gmd n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gmd s ALA 112 N 1.39 3.09 -0.25 0.00 0.00 0.44 -5.01 121.76 121.43 1gmd s ALA 112 Ca 0.76 1.07 -0.12 0.00 0.00 0.00 0.00 51.96 53.67 1gmd s ALA 112 Cb -0.51 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.13 1gmd s ALA 112 CO 0.33 -0.74 0.24 0.45 0.00 0.00 0.00 175.76 176.04 1gmd s SER 113 N -1.07 6.16 0.47 0.00 0.15 -1.26 -4.77 113.70 113.39 1gmd s SER 113 Ca 0.60 0.17 -0.14 0.00 0.70 0.00 0.00 55.95 57.29 1gmd s SER 113 Cb -0.33 -2.14 -0.07 0.00 -1.71 0.00 0.00 66.02 61.76 1gmd s SER 113 CO 0.41 -0.02 0.90 -0.36 1.20 0.00 0.00 173.24 175.37 1gmd s PHE 114 N 1.42 3.46 0.00 3.44 0.08 -1.26 -4.81 117.98 120.31 1gmd s PHE 114 Ca 0.10 1.29 0.00 0.00 0.12 0.00 0.00 56.93 58.44 1gmd s PHE 114 Cb -0.15 -2.65 0.00 0.00 -0.57 0.00 0.00 43.02 39.66 1gmd s PHE 114 CO 0.07 -0.27 0.00 -1.13 -0.10 0.00 0.00 175.22 173.80 1gmd n SER 115 N -1.49 0.00 -0.01 1.36 3.41 0.24 -4.93 113.62 112.20 1gmd n SER 115 Ca 0.05 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.60 1gmd n SER 115 Cb 0.54 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.63 1gmd n SER 115 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1gmd h GLN 116 N 0.00 0.56 -0.16 4.33 1.08 -1.98 -3.22 115.11 115.72 1gmd h GLN 116 Ca 0.00 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1gmd h GLN 116 Cb 0.00 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1gmd h GLN 116 CO 0.00 0.81 0.00 0.25 -0.95 0.00 0.00 178.83 178.94 1gmd n THR 117 N -4.08 0.36 -3.68 -0.54 -2.24 -1.26 -4.89 114.28 97.94 1gmd n THR 117 Ca -0.01 -0.68 -0.26 0.00 -2.27 0.00 0.00 64.05 60.83 1gmd n THR 117 Cb 0.46 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.53 1gmd n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1gmd s VAL 118 N -1.09 0.23 0.39 2.28 1.01 -1.22 -4.23 120.40 117.77 1gmd s VAL 118 Ca 0.20 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 1gmd s VAL 118 Cb 0.13 -0.76 0.05 0.00 0.00 0.00 0.00 36.38 35.80 1gmd s VAL 118 CO 0.18 -0.19 0.75 -1.54 0.00 0.00 0.00 175.10 174.30 1gmd n SER 119 N 5.16 -2.19 -4.92 3.32 3.41 -0.70 -0.59 113.62 117.11 1gmd n SER 119 Ca -0.08 -2.59 -0.29 0.00 -0.26 0.00 0.00 58.87 55.65 1gmd n SER 119 Cb 0.48 3.67 -0.04 0.00 -0.26 0.00 0.00 64.21 68.06 1gmd n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gmd s ALA 120 N -2.12 3.93 0.35 7.33 0.00 -1.26 -2.76 121.76 127.22 1gmd s ALA 120 Ca 0.17 -0.82 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 1gmd s ALA 120 Cb -0.05 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 1gmd s ALA 120 CO 0.12 0.66 0.63 0.54 0.00 0.00 0.00 175.76 177.72 1gmd s VAL 121 N -1.65 4.97 0.16 0.00 0.11 -0.84 -4.87 120.40 118.28 1gmd s VAL 121 Ca 0.37 0.11 -0.20 0.00 -2.93 0.00 0.00 61.98 59.33 1gmd s VAL 121 Cb -0.12 -3.77 -0.08 0.00 -1.53 0.00 0.00 36.38 30.88 1gmd s VAL 121 CO 0.28 -0.47 0.67 0.00 -3.33 0.00 0.00 175.10 172.24 1gmd s LEU 123 N -1.60 4.37 0.70 0.00 1.43 -1.26 -5.09 118.68 117.23 1gmd s LEU 123 Ca 0.37 0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 54.17 1gmd s LEU 123 Cb -0.18 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.17 1gmd s LEU 123 CO 0.21 0.21 1.09 -2.16 0.23 0.00 0.00 176.35 175.93 1gmd s PRO 124 N -1.73 2.94 0.36 1.29 0.04 -1.26 -5.05 135.00 131.58 1gmd s PRO 124 Ca 0.31 0.51 -0.20 0.00 0.04 0.00 0.00 61.00 61.66 1gmd s PRO 124 Cb -0.14 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 1gmd s PRO 124 CO 0.17 -0.99 0.86 -1.12 0.04 0.00 0.00 177.00 175.96 1gmd s SER 125 N -4.31 6.98 0.62 6.66 0.01 -1.26 -4.92 113.70 117.48 1gmd s SER 125 Ca 0.58 1.57 0.32 0.00 1.31 0.00 0.00 55.95 59.73 1gmd s SER 125 Cb -0.11 -2.49 1.82 0.00 0.21 0.00 0.00 66.02 65.45 1gmd s SER 125 CO 0.52 -0.22 2.11 0.00 0.41 0.00 0.00 173.24 176.07 1gmd h ALA 126 N 2.42 1.54 0.00 1.44 0.00 -2.07 -0.12 119.26 122.46 1gmd h ALA 126 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1gmd h ALA 126 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1gmd h ALA 126 CO 0.63 -0.25 -0.40 -1.13 0.00 0.00 0.00 179.25 178.10 1gmd n SER 127 N -3.44 0.47 -4.69 0.00 3.41 -1.26 -4.95 113.62 103.16 1gmd n SER 127 Ca -0.00 0.05 -0.44 0.00 -0.26 0.00 0.00 58.87 58.22 1gmd n SER 127 Cb 0.29 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 1gmd n SER 127 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1gmd n ASP 128 N -1.71 3.48 -4.66 4.04 8.00 -0.06 -4.99 116.55 120.65 1gmd n ASP 128 Ca 0.05 1.07 -0.35 0.00 0.71 0.00 0.00 54.79 56.27 1gmd n ASP 128 Cb 0.37 -1.49 -0.09 0.00 -0.02 0.00 0.00 41.12 39.89 1gmd n ASP 128 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1gmd s ASP 129 N 1.16 5.53 -0.38 -2.24 1.47 -1.26 -4.97 116.67 115.98 1gmd s ASP 129 Ca 0.78 0.12 0.03 0.00 1.18 0.00 0.00 52.55 54.66 1gmd s ASP 129 Cb -0.61 -1.83 0.11 0.00 -0.34 0.00 0.00 42.92 40.26 1gmd s ASP 129 CO 0.36 0.26 0.13 -0.36 0.68 0.00 0.00 175.17 176.23 1gmd s PHE 130 N -0.14 3.04 0.46 2.11 0.08 -1.26 -5.11 117.98 117.16 1gmd s PHE 130 Ca 0.06 -2.73 -0.25 0.00 0.12 0.00 0.00 56.93 54.13 1gmd s PHE 130 Cb -0.12 -2.55 -0.08 0.00 -0.57 0.00 0.00 43.02 39.69 1gmd s PHE 130 CO 0.01 -0.87 1.36 0.00 -0.10 0.00 0.00 175.22 175.62 1gmd n ALA 131 N 4.04 1.69 -1.77 5.36 0.00 -1.26 -4.99 120.51 123.58 1gmd n ALA 131 Ca 0.04 0.23 -0.39 0.00 0.00 0.00 0.00 53.44 53.31 1gmd n ALA 131 Cb 0.39 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1gmd n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gmd s ALA 132 N -1.21 3.21 0.00 0.00 0.00 -1.26 -2.40 121.76 120.10 1gmd s ALA 132 Ca 0.63 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1gmd s ALA 132 Cb -0.46 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1gmd s ALA 132 CO 0.56 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1gmd n GLY 133 N 0.64 2.39 3.69 0.00 0.00 -1.26 -5.04 105.19 105.61 1gmd n GLY 133 Ca 0.05 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1gmd n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1gmd n THR 134 N 0.00 0.25 -2.82 2.61 -1.04 -1.01 -4.94 114.28 107.33 1gmd n THR 134 Ca 0.00 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.54 1gmd n THR 134 Cb 0.00 -1.95 -0.04 0.00 -1.82 0.00 0.00 70.33 66.52 1gmd n THR 134 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1gmd s THR 135 N 2.21 4.61 0.08 12.58 2.01 -1.26 -5.02 115.64 130.84 1gmd s THR 135 Ca 0.81 1.21 0.01 0.00 0.31 0.00 0.00 61.69 64.03 1gmd s THR 135 Cb -0.55 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 67.65 1gmd s THR 135 CO 0.38 -0.50 0.05 0.00 -0.69 0.00 0.00 174.62 173.86 1gmd s VAL 137 N -0.56 0.11 0.03 0.00 -7.23 -1.26 -5.16 120.40 106.33 1gmd s VAL 137 Ca 0.04 -0.93 0.03 0.00 -1.81 0.00 0.00 61.98 59.30 1gmd s VAL 137 Cb -0.00 -0.76 -0.02 0.00 0.56 0.00 0.00 36.38 36.16 1gmd s VAL 137 CO 0.02 -0.51 -0.09 0.28 -0.31 0.00 0.00 175.10 174.49 1gmd s THR 138 N -2.23 0.65 0.36 5.32 -1.32 -1.26 -5.17 115.64 111.99 1gmd s THR 138 Ca -0.08 -0.91 0.04 0.00 -1.21 0.00 0.00 61.69 59.53 1gmd s THR 138 Cb -0.03 -0.66 -0.04 0.00 -1.51 0.00 0.00 72.50 70.27 1gmd s THR 138 CO -0.03 -0.20 0.13 0.42 -2.21 0.00 0.00 174.62 172.73 1gmd s THR 139 N -1.02 0.59 0.00 5.08 -4.23 -1.26 -5.08 115.64 109.72 1gmd s THR 139 Ca -0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1gmd s THR 139 Cb -0.08 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1gmd s THR 139 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1gmd n GLY 140 N -0.76 2.73 1.63 3.99 0.00 -1.26 -4.95 105.19 106.57 1gmd n GLY 140 Ca -0.03 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 1gmd n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1gmd n TRP 141 N -1.94 1.94 -1.88 1.61 8.01 -1.26 -4.68 117.44 119.24 1gmd n TRP 141 Ca 0.00 -1.74 -0.31 0.00 -1.31 0.00 0.00 57.50 54.14 1gmd n TRP 141 Cb 0.00 -0.69 0.02 0.00 -2.01 0.00 0.00 31.31 28.63 1gmd n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1gmd s GLY 142 N -2.05 1.65 0.16 6.99 0.00 -1.26 -4.90 107.32 107.91 1gmd s GLY 142 Ca 0.50 -0.15 -0.19 0.00 0.00 0.00 0.00 44.72 44.88 1gmd s GLY 142 CO 0.04 0.14 0.33 1.04 0.00 0.00 0.00 173.10 174.65 1gmd n LEU 143 N -2.81 -1.03 -0.66 0.66 4.77 -1.26 -1.11 117.00 115.57 1gmd n LEU 143 Ca 0.06 0.77 0.11 0.00 -0.03 0.00 0.00 56.01 56.92 1gmd n LEU 143 Cb 0.55 -0.66 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1gmd n LEU 143 CO 0.58 -2.22 0.43 0.35 -1.33 0.00 0.00 177.39 175.20 1gmd n THR 144 N -0.09 0.00 -3.65 -5.08 -2.24 -1.26 -0.64 114.28 101.32 1gmd n THR 144 Ca 0.12 -0.38 -0.02 0.00 -2.27 0.00 0.00 64.05 61.50 1gmd n THR 144 Cb 0.19 1.34 -0.07 0.00 -2.10 0.00 0.00 70.33 69.70 1gmd n THR 144 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gmd s ARG 145 N -2.10 0.19 0.00 -0.78 1.70 -1.26 -4.20 118.95 112.50 1gmd s ARG 145 Ca 0.21 0.27 0.24 0.00 -0.47 0.00 0.00 55.73 55.98 1gmd s ARG 145 Cb 0.18 0.07 0.19 0.00 -0.57 0.00 0.00 34.95 34.81 1gmd s ARG 145 CO 0.41 -0.03 1.25 0.98 -1.08 0.00 0.00 175.30 176.83