#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gra s TYR 30 N 0.00 2.86 -0.25 0.54 5.04 -0.96 -4.72 117.35 119.86 3gra s TYR 30 Ca 0.00 0.77 -0.07 0.00 -2.44 0.00 0.00 57.07 55.33 3gra s TYR 30 Cb 0.00 -4.01 -0.03 0.00 0.35 0.00 0.00 41.96 38.27 3gra s TYR 30 CO 0.00 -3.45 0.06 1.03 -1.34 0.00 0.00 175.55 171.85 3gra s ARG 31 N -0.13 3.64 -0.05 4.97 0.52 -1.26 -1.16 118.95 125.49 3gra s ARG 31 Ca 0.64 -0.48 0.05 0.00 -0.52 0.00 0.00 55.73 55.42 3gra s ARG 31 Cb -0.46 -3.30 -0.00 0.00 0.52 0.00 0.00 34.95 31.70 3gra s ARG 31 CO 0.43 -0.18 -0.19 0.54 0.02 0.00 0.00 175.30 175.93 3gra s VAL 32 N 1.58 1.56 0.01 3.52 0.11 -0.75 -0.82 120.40 125.60 3gra s VAL 32 Ca 0.06 -0.79 0.05 0.00 -2.93 0.00 0.00 61.98 58.37 3gra s VAL 32 Cb -0.15 -1.33 -0.02 0.00 -1.53 0.00 0.00 36.38 33.35 3gra s VAL 32 CO 0.03 0.44 -0.14 -1.81 -3.33 0.00 0.00 175.10 170.30 3gra s ASP 33 N -0.01 1.66 -0.15 3.54 1.11 -0.87 -3.44 116.67 118.51 3gra s ASP 33 Ca -0.03 -0.34 -0.00 0.00 0.18 0.00 0.00 52.55 52.36 3gra s ASP 33 Cb -0.12 -0.15 -0.01 0.00 1.07 0.00 0.00 42.92 43.71 3gra s ASP 33 CO 0.02 0.12 -0.13 -0.36 1.18 0.00 0.00 175.17 176.00 3gra s PHE 34 N -0.54 2.81 -0.37 4.23 0.08 -1.00 -0.18 117.98 123.02 3gra s PHE 34 Ca 0.04 -0.82 -0.18 0.00 0.12 0.00 0.00 56.93 56.08 3gra s PHE 34 Cb -0.06 -1.88 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 3gra s PHE 34 CO 0.00 -0.34 0.53 0.42 -0.10 0.00 0.00 175.22 175.73 3gra s ILE 35 N 0.62 4.99 -0.28 0.64 1.01 -0.23 0.15 121.20 128.11 3gra s ILE 35 Ca -0.08 0.27 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 3gra s ILE 35 Cb -0.16 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 3gra s ILE 35 CO 0.03 -0.28 0.55 -0.76 0.00 0.00 0.00 174.94 174.47 3gra s LEU 36 N 2.44 4.10 0.35 2.97 1.43 0.17 -1.19 118.68 128.95 3gra s LEU 36 Ca 0.19 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 3gra s LEU 36 Cb -0.15 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 3gra s LEU 36 CO 0.14 -0.36 0.53 -0.76 0.23 0.00 0.00 176.35 176.13 3gra s LEU 37 N 2.40 3.97 0.32 1.79 1.43 -1.01 -4.61 118.68 122.97 3gra s LEU 37 Ca 0.22 0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 53.24 3gra s LEU 37 Cb -0.15 -3.08 -0.12 0.00 0.03 0.00 0.00 46.19 42.87 3gra s LEU 37 CO 0.10 -0.38 1.49 -0.62 0.23 0.00 0.00 176.35 177.17 3gra n GLU 38 N -1.76 2.52 -1.34 1.70 -0.58 -1.26 -1.87 120.64 118.05 3gra n GLU 38 Ca -0.03 0.89 -0.12 0.00 -0.42 0.00 0.00 57.16 57.48 3gra n GLU 38 Cb 0.57 -2.61 -0.05 0.00 -0.57 0.00 0.00 31.44 28.78 3gra n GLU 38 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3gra n HIS 39 N 1.32 0.00 -1.38 -0.32 8.25 0.25 -4.27 115.22 119.08 3gra n HIS 39 Ca 0.06 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.17 3gra n HIS 39 Cb 0.37 -2.22 0.10 0.00 1.12 0.00 0.00 29.99 29.36 3gra n HIS 39 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 3gra n PHE 40 N -2.61 1.28 -1.21 4.41 1.16 -0.78 -3.52 117.46 116.18 3gra n PHE 40 Ca -0.12 0.41 -0.29 0.00 -1.87 0.00 0.00 57.45 55.58 3gra n PHE 40 Cb 0.41 -2.15 0.20 0.00 -1.61 0.00 0.00 39.48 36.32 3gra n PHE 40 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3gra s SER 41 N -1.74 2.11 0.00 5.98 0.15 0.07 0.88 113.70 121.16 3gra s SER 41 Ca 0.76 0.92 0.00 0.00 0.70 0.00 0.00 55.95 58.33 3gra s SER 41 Cb -0.34 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 3gra s SER 41 CO 0.47 -3.42 0.00 0.00 1.20 0.00 0.00 173.24 171.50 3gra n ALA 43 N -4.33 0.00 0.04 5.45 0.00 -1.26 -1.17 120.51 119.24 3gra n ALA 43 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 3gra n ALA 43 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 3gra n ALA 43 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gra h SER 44 N 0.00 -0.01 -0.57 0.00 0.87 -1.92 -2.30 113.55 109.62 3gra h SER 44 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 3gra h SER 44 Cb 0.00 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3gra h SER 44 CO 0.00 -0.01 -0.02 0.15 -0.53 0.00 0.00 176.83 176.42 3gra h PHE 45 N -0.01 1.13 -0.13 2.24 3.57 -1.53 -3.15 116.94 119.05 3gra h PHE 45 Ca 0.00 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 61.28 3gra h PHE 45 Cb 0.01 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 3gra h PHE 45 CO -0.08 1.01 0.02 1.79 -2.23 0.00 0.00 178.31 178.81 3gra h THR 46 N 0.92 1.23 -0.49 4.41 1.35 -1.78 -3.03 112.91 115.51 3gra h THR 46 Ca 0.16 -0.74 0.03 0.00 -0.55 0.00 0.00 66.41 65.31 3gra h THR 46 Cb 0.58 1.46 -0.03 0.00 -1.73 0.00 0.00 68.15 68.43 3gra h THR 46 CO 0.03 0.22 0.32 1.62 -0.25 0.00 0.00 175.52 177.46 3gra h VAL 47 N -0.01 1.06 0.00 6.82 3.04 -1.50 0.19 116.25 125.86 3gra h VAL 47 Ca 0.04 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 3gra h VAL 47 Cb 0.32 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 3gra h VAL 47 CO 0.00 0.10 0.00 0.00 -1.01 0.00 0.00 177.57 176.67 3gra n ALA 48 N -2.48 1.39 0.00 3.17 0.00 -1.15 -2.22 120.51 119.22 3gra n ALA 48 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3gra n ALA 48 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3gra n ALA 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3gra n ASP 50 N 0.48 0.00 -0.23 0.00 -0.08 0.68 -3.02 116.55 114.38 3gra n ASP 50 Ca 0.00 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.26 3gra n ASP 50 Cb 0.06 0.00 0.17 0.00 2.34 0.00 0.00 41.12 43.69 3gra n ASP 50 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3gra h VAL 51 N 0.00 1.23 0.05 5.18 2.07 -1.72 -0.06 116.25 123.00 3gra h VAL 51 Ca 0.00 -0.61 -0.16 0.00 0.82 0.00 0.00 66.70 66.75 3gra h VAL 51 Cb 0.00 0.25 0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3gra h VAL 51 CO 0.00 0.26 -0.67 -0.07 0.02 0.00 0.00 177.57 177.12 3gra h LEU 52 N 1.05 0.50 -0.88 2.57 3.38 -1.84 -1.88 115.31 118.22 3gra h LEU 52 Ca 0.26 -0.83 -0.07 0.00 0.09 0.00 0.00 57.88 57.33 3gra h LEU 52 Cb 0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3gra h LEU 52 CO -0.04 1.27 0.03 0.58 0.09 0.00 0.00 178.44 180.37 3gra h VAL 53 N -0.20 1.25 -0.51 1.22 2.07 -1.85 -1.36 116.25 116.86 3gra h VAL 53 Ca -0.10 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 3gra h VAL 53 Cb 1.42 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3gra h VAL 53 CO 0.13 0.36 0.03 0.74 0.02 0.00 0.00 177.57 178.85 3gra h THR 54 N 0.80 1.26 -0.87 2.57 2.02 -1.04 -1.48 112.91 116.17 3gra h THR 54 Ca 0.16 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.31 3gra h THR 54 Cb 0.44 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 3gra h THR 54 CO 0.02 0.37 0.56 0.00 0.37 0.00 0.00 175.52 176.84 3gra h ALA 55 N 0.95 1.11 0.00 6.16 0.00 -0.96 0.49 119.26 127.00 3gra h ALA 55 Ca 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3gra h ALA 55 Cb 0.48 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gra h ALA 55 CO 0.02 0.52 -0.08 -0.91 0.00 0.00 0.00 179.25 178.80 3gra h ASN 56 N 1.19 0.00 0.45 0.00 2.35 -0.76 0.33 115.58 119.13 3gra h ASN 56 Ca 0.32 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.87 3gra h ASN 56 Cb -0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3gra h ASN 56 CO -0.07 0.08 -0.83 -0.07 -1.65 0.00 0.00 177.43 174.90 3gra h LEU 57 N 0.00 0.36 0.00 1.61 3.38 0.11 -3.10 115.31 117.67 3gra h LEU 57 Ca -0.00 -0.27 -0.19 0.00 0.09 0.00 0.00 57.88 57.51 3gra h LEU 57 Cb 0.25 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3gra h LEU 57 CO 0.01 1.04 -1.22 -0.07 0.09 0.00 0.00 178.44 178.28 3gra h LEU 58 N 0.17 0.00 -6.50 1.67 3.38 -0.49 -3.44 115.31 110.10 3gra h LEU 58 Ca -0.04 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 3gra h LEU 58 Cb 1.43 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.87 3gra h LEU 58 CO 0.13 0.74 -0.55 -0.60 0.09 0.00 0.00 178.44 178.25 3gra s ARG 59 N -2.82 0.33 0.89 1.13 3.52 0.11 -5.10 118.95 117.00 3gra s ARG 59 Ca -0.01 0.27 -0.14 0.00 -0.13 0.00 0.00 55.73 55.72 3gra s ARG 59 Cb 0.09 -0.62 0.02 0.00 -1.56 0.00 0.00 34.95 32.87 3gra s ARG 59 CO 0.80 -0.79 0.47 0.00 -0.81 0.00 0.00 175.30 174.97 3gra n ALA 60 N 5.34 -2.22 -1.56 6.12 0.00 -1.17 -2.94 120.51 124.09 3gra n ALA 60 Ca -0.03 -0.50 -0.07 0.00 0.00 0.00 0.00 53.44 52.83 3gra n ALA 60 Cb 0.49 -1.83 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 3gra n ALA 60 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3gra n ASP 61 N -1.13 -2.14 -0.09 0.00 5.68 -1.26 -4.81 116.55 112.79 3gra n ASP 61 Ca 0.08 0.22 -0.14 0.00 -0.50 0.00 0.00 54.79 54.44 3gra n ASP 61 Cb 0.52 -2.12 -0.04 0.00 -1.14 0.00 0.00 41.12 38.35 3gra n ASP 61 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3gra h SER 62 N 0.00 0.95 -4.30 -1.12 0.02 -1.86 -3.32 113.55 103.91 3gra h SER 62 Ca -0.16 -0.51 -0.34 0.00 -0.84 0.00 0.00 61.79 59.94 3gra h SER 62 Cb 0.66 -0.27 -0.14 0.00 0.14 0.00 0.00 62.40 62.78 3gra h SER 62 CO 0.22 1.28 -0.64 -0.36 -1.14 0.00 0.00 176.83 176.18 3gra s PHE 63 N -4.21 1.45 -0.07 3.45 0.08 -1.26 -2.26 117.98 115.16 3gra s PHE 63 Ca -0.11 -1.06 -0.07 0.00 0.12 0.00 0.00 56.93 55.81 3gra s PHE 63 Cb 0.10 -0.85 0.02 0.00 -0.57 0.00 0.00 43.02 41.72 3gra s PHE 63 CO 0.88 -0.21 0.21 -1.14 -0.10 0.00 0.00 175.22 174.85 3gra s GLN 64 N -3.95 0.27 0.15 0.44 0.74 -0.31 -4.82 119.66 112.18 3gra s GLN 64 Ca 0.31 0.22 -0.18 0.00 0.05 0.00 0.00 55.36 55.77 3gra s GLN 64 Cb 0.07 0.13 0.04 0.00 1.10 0.00 0.00 33.01 34.35 3gra s GLN 64 CO 0.09 -0.04 0.46 -0.59 -0.55 0.00 0.00 175.29 174.66 3gra s PHE 65 N -0.05 -0.24 -0.21 1.67 -0.12 -1.26 -1.81 117.98 115.96 3gra s PHE 65 Ca -0.02 -0.06 -0.15 0.00 -0.05 0.00 0.00 56.93 56.66 3gra s PHE 65 Cb -0.02 0.34 0.06 0.00 -0.63 0.00 0.00 43.02 42.77 3gra s PHE 65 CO 0.00 -0.77 0.52 0.99 -0.05 0.00 0.00 175.22 175.91 3gra s THR 66 N -3.81 -0.01 0.07 -4.49 2.01 -1.22 -5.04 115.64 103.14 3gra s THR 66 Ca 0.04 0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.79 3gra s THR 66 Cb 0.01 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 3gra s THR 66 CO -0.10 0.01 0.89 -2.16 -0.69 0.00 0.00 174.62 172.57 3gra s PRO 67 N 0.98 4.60 0.11 4.92 0.04 -1.26 -2.36 135.00 142.03 3gra s PRO 67 Ca -0.06 1.29 0.10 0.00 0.04 0.00 0.00 61.00 62.37 3gra s PRO 67 Cb -0.06 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 3gra s PRO 67 CO -0.09 0.19 -0.22 -0.51 0.04 0.00 0.00 177.00 176.41 3gra s LEU 68 N 0.16 2.49 -0.01 -3.56 1.43 0.41 -0.58 118.68 119.01 3gra s LEU 68 Ca 0.44 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 52.97 3gra s LEU 68 Cb -0.22 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 3gra s LEU 68 CO 0.27 0.20 -0.15 -0.55 0.23 0.00 0.00 176.35 176.34 3gra s SER 69 N -1.93 1.76 0.17 2.29 0.15 0.45 0.41 113.70 117.00 3gra s SER 69 Ca 0.15 -0.29 -0.03 0.00 0.70 0.00 0.00 55.95 56.49 3gra s SER 69 Cb -0.10 -0.19 0.05 0.00 -1.71 0.00 0.00 66.02 64.07 3gra s SER 69 CO 0.07 0.17 1.43 -0.07 1.20 0.00 0.00 173.24 176.05 3gra h LEU 70 N 5.70 0.55 -7.41 3.45 3.38 -1.87 0.39 115.31 119.49 3gra h LEU 70 Ca -0.35 -0.35 -0.27 0.00 0.09 0.00 0.00 57.88 57.00 3gra h LEU 70 Cb 1.16 -0.16 -0.33 0.00 0.09 0.00 0.00 40.66 41.42 3gra h LEU 70 CO 0.48 1.09 -0.64 1.51 0.09 0.00 0.00 178.44 180.97 3gra s ASP 71 N -6.98 0.15 0.00 -0.43 -4.77 -1.26 -4.65 116.67 98.74 3gra s ASP 71 Ca -0.06 0.24 0.00 0.00 -3.30 0.00 0.00 52.55 49.43 3gra s ASP 71 Cb 0.10 0.13 0.00 0.00 -1.09 0.00 0.00 42.92 42.07 3gra s ASP 71 CO 0.85 -0.17 0.00 0.61 0.70 0.00 0.00 175.17 177.16 3gra n GLY 72 N 4.47 -2.32 1.62 2.12 0.00 -1.26 -4.63 105.19 105.18 3gra n GLY 72 Ca -0.22 -1.48 0.04 0.00 0.00 0.00 0.00 46.02 44.37 3gra n GLY 72 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gra n ASP 73 N -2.01 4.69 -3.79 1.61 5.75 -1.26 -4.45 116.55 117.09 3gra n ASP 73 Ca 0.00 -2.76 -0.13 0.00 -0.01 0.00 0.00 54.79 51.90 3gra n ASP 73 Cb 0.00 -0.65 -0.12 0.00 -1.03 0.00 0.00 41.12 39.32 3gra n ASP 73 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3gra s ARG 74 N -2.40 0.25 -0.04 0.11 0.52 -1.26 -1.32 118.95 114.81 3gra s ARG 74 Ca 0.43 0.32 0.02 0.00 -0.52 0.00 0.00 55.73 55.98 3gra s ARG 74 Cb 0.33 0.10 0.01 0.00 0.52 0.00 0.00 34.95 35.91 3gra s ARG 74 CO 0.12 -0.04 -0.10 0.08 0.02 0.00 0.00 175.30 175.39 3gra s VAL 75 N 0.21 0.86 -0.21 3.52 1.01 -0.95 -4.94 120.40 119.90 3gra s VAL 75 Ca -0.01 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 3gra s VAL 75 Cb -0.02 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.58 3gra s VAL 75 CO -0.00 0.28 1.05 -0.22 0.00 0.00 0.00 175.10 176.20 3gra s LEU 76 N 0.41 4.13 0.95 3.92 2.96 -1.26 -2.31 118.68 127.47 3gra s LEU 76 Ca -0.07 1.42 -0.16 0.00 -0.22 0.00 0.00 54.13 55.10 3gra s LEU 76 Cb -0.11 -3.54 0.19 0.00 0.50 0.00 0.00 46.19 43.23 3gra s LEU 76 CO 0.01 -0.64 1.31 -0.94 -1.32 0.00 0.00 176.35 174.77 3gra s SER 77 N 1.23 3.20 0.21 3.68 1.04 0.46 0.85 113.70 124.38 3gra s SER 77 Ca 0.45 0.29 0.23 0.00 0.48 0.00 0.00 55.95 57.41 3gra s SER 77 Cb -0.16 -0.36 0.91 0.00 0.10 0.00 0.00 66.02 66.51 3gra s SER 77 CO 0.08 -2.68 1.70 -0.90 0.98 0.00 0.00 173.24 172.43 3gra n ASP 78 N -3.74 0.59 -0.54 7.02 5.75 0.25 -2.90 116.55 122.99 3gra n ASP 78 Ca 0.15 0.62 0.13 0.00 -0.01 0.00 0.00 54.79 55.68 3gra n ASP 78 Cb 0.59 -0.75 0.39 0.00 -1.03 0.00 0.00 41.12 40.32 3gra n ASP 78 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3gra n LEU 79 N -2.12 1.74 0.00 -2.12 4.77 -1.26 -4.92 117.00 113.08 3gra n LEU 79 Ca 0.03 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 3gra n LEU 79 Cb 0.27 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3gra n LEU 79 CO 0.21 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3gra n GLY 80 N 1.25 1.18 3.86 -0.72 0.00 -1.14 -5.05 105.19 104.56 3gra n GLY 80 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3gra n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gra s LEU 81 N 0.00 4.10 -0.07 0.99 2.01 -1.26 -4.83 118.68 119.63 3gra s LEU 81 Ca 0.00 1.16 0.03 0.00 0.01 0.00 0.00 54.13 55.33 3gra s LEU 81 Cb 0.00 -3.94 -0.02 0.00 0.01 0.00 0.00 46.19 42.23 3gra s LEU 81 CO 0.00 -0.16 -0.14 -1.61 1.01 0.00 0.00 176.35 175.45 3gra s GLU 82 N -2.91 2.69 0.04 1.70 2.02 -1.26 -0.40 118.70 120.58 3gra s GLU 82 Ca 0.52 -0.69 0.06 0.00 0.02 0.00 0.00 54.97 54.87 3gra s GLU 82 Cb -0.11 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 3gra s GLU 82 CO 0.19 0.54 -0.12 -0.51 0.02 0.00 0.00 175.26 175.37 3gra s LEU 83 N -0.50 2.91 -0.07 1.80 1.02 -0.98 -4.93 118.68 117.93 3gra s LEU 83 Ca 0.07 -0.31 -0.29 0.00 0.02 0.00 0.00 54.13 53.62 3gra s LEU 83 Cb -0.12 -1.69 -0.02 0.00 0.02 0.00 0.00 46.19 44.38 3gra s LEU 83 CO 0.02 0.25 0.98 -0.69 0.02 0.00 0.00 176.35 176.93 3gra s VAL 84 N -1.01 4.83 0.43 -1.59 1.01 -1.26 -2.24 120.40 120.57 3gra s VAL 84 Ca 0.17 2.01 0.03 0.00 0.00 0.00 0.00 61.98 64.19 3gra s VAL 84 Cb -0.11 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 3gra s VAL 84 CO 0.08 0.08 0.07 0.00 0.00 0.00 0.00 175.10 175.32 3gra s ALA 85 N 1.58 3.27 -0.14 5.51 0.00 -0.44 -4.86 121.76 126.68 3gra s ALA 85 Ca 0.49 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 3gra s ALA 85 Cb -0.19 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 3gra s ALA 85 CO 0.22 -0.22 -0.04 0.99 0.00 0.00 0.00 175.76 176.71 3gra s THR 86 N -3.08 3.91 0.28 0.00 2.01 0.26 -4.56 115.64 114.45 3gra s THR 86 Ca 0.20 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 3gra s THR 86 Cb 0.03 -2.70 -0.11 0.00 0.01 0.00 0.00 72.50 69.73 3gra s THR 86 CO 0.11 0.51 1.61 -0.70 -0.69 0.00 0.00 174.62 175.46 3gra s GLU 87 N 0.19 4.13 0.45 4.92 2.12 -1.26 -0.41 118.70 128.84 3gra s GLU 87 Ca -0.02 2.57 -0.24 0.00 0.36 0.00 0.00 54.97 57.64 3gra s GLU 87 Cb -0.14 -3.03 -0.09 0.00 0.26 0.00 0.00 34.13 31.13 3gra s GLU 87 CO 0.03 -0.64 1.15 -0.11 -0.54 0.00 0.00 175.26 175.15 3gra n LEU 88 N 2.47 3.63 -3.74 2.70 0.00 0.14 -4.78 117.00 117.41 3gra n LEU 88 Ca 0.09 1.04 -0.14 0.00 0.00 0.00 0.00 56.01 57.00 3gra n LEU 88 Cb 0.37 -1.44 -0.15 0.00 0.00 0.00 0.00 43.42 42.20 3gra n LEU 88 CO 0.64 -1.07 -0.25 -0.55 0.00 0.00 0.00 177.39 176.15 3gra s SER 89 N -0.72 0.06 0.01 1.96 0.15 -1.26 -5.02 113.70 108.88 3gra s SER 89 Ca 0.64 0.26 -0.25 0.00 0.70 0.00 0.00 55.95 57.30 3gra s SER 89 Cb -0.51 0.15 -0.19 0.00 -1.71 0.00 0.00 66.02 63.77 3gra s SER 89 CO 0.56 -0.16 1.40 0.00 1.20 0.00 0.00 173.24 176.23 3gra h ALA 90 N 7.44 -0.01 -0.00 5.45 0.00 -1.97 -2.67 119.26 127.49 3gra h ALA 90 Ca -0.39 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3gra h ALA 90 Cb 1.13 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3gra h ALA 90 CO 0.39 -0.33 0.01 0.00 0.00 0.00 0.00 179.25 179.32 3gra h ALA 91 N 0.62 1.07 0.13 0.00 0.00 -2.04 -0.28 119.26 118.77 3gra h ALA 91 Ca -0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 3gra h ALA 91 Cb 0.35 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3gra h ALA 91 CO 0.00 -0.01 -1.25 0.00 0.00 0.00 0.00 179.25 177.99 3gra h ALA 92 N 1.97 0.09 0.00 0.00 0.00 -1.94 -3.33 119.26 116.06 3gra h ALA 92 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 54.91 54.01 3gra h ALA 92 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gra h ALA 92 CO -0.00 0.97 0.03 1.28 0.00 0.00 0.00 179.25 181.53 3gra n LEU 93 N -3.54 2.30 -0.06 0.00 4.77 -0.11 -3.15 117.00 117.21 3gra n LEU 93 Ca -0.09 -1.20 -0.07 0.00 -0.03 0.00 0.00 56.01 54.62 3gra n LEU 93 Cb 1.02 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 3gra n LEU 93 CO 0.54 0.44 -0.87 0.29 -1.33 0.00 0.00 177.39 176.46 3gra n LYS 94 N 2.04 1.50 -0.32 3.23 4.76 -1.25 -4.50 118.16 123.62 3gra n LYS 94 Ca 0.05 0.03 0.11 0.00 -2.87 0.00 0.00 58.31 55.63 3gra n LYS 94 Cb 0.26 -1.26 0.29 0.00 -1.84 0.00 0.00 35.03 32.48 3gra n LYS 94 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3gra n GLU 95 N -2.59 2.56 -2.95 1.97 0.00 -1.19 -4.91 120.64 113.53 3gra n GLU 95 Ca -0.19 -2.41 -0.42 0.00 0.00 0.00 0.00 57.16 54.14 3gra n GLU 95 Cb 0.80 -1.53 -0.05 0.00 0.00 0.00 0.00 31.44 30.66 3gra n GLU 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3gra s LEU 96 N -1.09 4.08 0.00 -1.84 1.02 -1.26 -4.61 118.68 114.97 3gra s LEU 96 Ca 0.44 0.88 0.24 0.00 0.02 0.00 0.00 54.13 55.72 3gra s LEU 96 Cb 0.24 -3.10 0.38 0.00 0.02 0.00 0.00 46.19 43.73 3gra s LEU 96 CO 0.31 -0.51 1.32 0.47 0.02 0.00 0.00 176.35 177.96 3gra n ASP 97 N 6.00 0.78 -3.60 2.29 8.00 -0.74 -4.86 116.55 124.42 3gra n ASP 97 Ca 0.04 -0.59 -0.15 0.00 0.71 0.00 0.00 54.79 54.81 3gra n ASP 97 Cb 0.48 0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 41.90 3gra n ASP 97 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3gra s LEU 98 N -2.88 -0.68 -0.02 0.64 2.96 0.00 -3.40 118.68 115.30 3gra s LEU 98 Ca 0.13 1.16 0.01 0.00 -0.22 0.00 0.00 54.13 55.22 3gra s LEU 98 Cb 0.18 2.41 0.01 0.00 0.50 0.00 0.00 46.19 49.29 3gra s LEU 98 CO 0.69 -0.34 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.13 3gra s LEU 99 N -0.11 1.67 0.10 -0.68 2.96 -0.43 -2.06 118.68 120.13 3gra s LEU 99 Ca -0.03 -0.08 0.09 0.00 -0.22 0.00 0.00 54.13 53.89 3gra s LEU 99 Cb -0.03 -0.28 -0.03 0.00 0.50 0.00 0.00 46.19 46.34 3gra s LEU 99 CO 0.03 -0.00 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.15 3gra s VAL 100 N 0.36 1.80 -0.35 1.68 1.01 0.74 -1.01 120.40 124.63 3gra s VAL 100 Ca -0.04 -1.52 -0.07 0.00 0.00 0.00 0.00 61.98 60.35 3gra s VAL 100 Cb -0.07 -1.62 0.05 0.00 0.00 0.00 0.00 36.38 34.74 3gra s VAL 100 CO -0.00 0.01 0.13 -0.69 0.00 0.00 0.00 175.10 174.55 3gra s VAL 101 N -1.08 3.81 -0.27 2.92 1.01 0.49 -1.06 120.40 126.21 3gra s VAL 101 Ca 0.08 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.69 3gra s VAL 101 Cb -0.10 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3gra s VAL 101 CO 0.04 -0.25 0.40 0.00 0.00 0.00 0.00 175.10 175.29 3gra n GLY 103 N 4.64 4.24 3.83 0.00 0.00 -1.16 -2.39 105.19 114.35 3gra n GLY 103 Ca -0.08 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 43.77 3gra n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gra s GLY 104 N -0.98 0.09 0.00 -0.02 0.00 -1.26 -0.75 107.32 104.41 3gra s GLY 104 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.24 3gra s GLY 104 CO 0.00 -0.19 0.79 -0.10 0.00 0.00 0.00 173.10 173.60 3gra n LEU 105 N -0.48 0.00 0.00 0.66 7.94 -1.26 -1.76 117.00 122.09 3gra n LEU 105 Ca -0.05 0.79 0.00 0.00 -1.11 0.00 0.00 56.01 55.64 3gra n LEU 105 Cb 0.59 -0.29 0.01 0.00 0.53 0.00 0.00 43.42 44.26 3gra n LEU 105 CO 0.19 -0.29 0.24 0.54 -1.11 0.00 0.00 177.39 176.96 3gra n ARG 106 N -1.80 0.47 -2.04 1.96 5.12 -1.26 -4.81 116.66 114.29 3gra n ARG 106 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 3gra n ARG 106 Cb 0.00 -1.01 -0.03 0.00 -1.16 0.00 0.00 32.46 30.26 3gra n ARG 106 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3gra s THR 107 N -2.00 2.90 0.15 0.55 2.01 -0.73 -4.91 115.64 113.61 3gra s THR 107 Ca 0.00 0.66 -0.30 0.00 0.31 0.00 0.00 61.69 62.36 3gra s THR 107 Cb 0.00 -3.42 -0.08 0.00 0.01 0.00 0.00 72.50 69.01 3gra s THR 107 CO 0.00 0.06 1.24 -2.16 -0.69 0.00 0.00 174.62 173.07 3gra s PRO 108 N 0.91 4.44 -1.38 4.92 0.04 -1.26 -4.90 135.00 137.77 3gra s PRO 108 Ca 0.66 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 63.46 3gra s PRO 108 Cb -0.41 -3.26 0.07 0.00 0.04 0.00 0.00 34.50 30.95 3gra s PRO 108 CO 0.32 -0.21 2.00 1.28 0.04 0.00 0.00 177.00 180.44 3gra n LEU 109 N 3.09 6.22 0.00 -3.56 4.77 -1.26 -4.69 117.00 121.58 3gra n LEU 109 Ca 0.07 -4.18 0.00 0.00 -0.03 0.00 0.00 56.01 51.87 3gra n LEU 109 Cb 0.44 -1.65 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 3gra n LEU 109 CO 0.56 0.87 0.00 0.29 -1.33 0.00 0.00 177.39 177.78 3gra n LYS 110 N 6.35 0.00 -3.04 3.23 5.02 -1.26 -5.07 118.16 123.38 3gra n LYS 110 Ca 0.48 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.64 3gra n LYS 110 Cb 0.41 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.43 3gra n LYS 110 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3gra n TYR 111 N 0.00 -2.92 -0.20 2.13 4.01 -1.26 -4.85 117.16 114.06 3gra n TYR 111 Ca 0.00 1.22 -0.07 0.00 -0.16 0.00 0.00 57.90 58.89 3gra n TYR 111 Cb 0.00 -3.05 0.03 0.00 -0.31 0.00 0.00 39.34 36.01 3gra n TYR 111 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3gra h PRO 112 N 2.47 0.81 0.00 -0.72 0.13 -2.01 -2.76 132.00 129.93 3gra h PRO 112 Ca -0.15 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3gra h PRO 112 Cb 0.90 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3gra h PRO 112 CO 0.16 0.63 0.13 -0.85 -0.23 0.00 0.00 178.00 177.83 3gra n GLU 113 N -4.58 0.00 0.00 0.86 0.00 -1.26 -1.89 120.64 113.77 3gra n GLU 113 Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 57.16 57.50 3gra n GLU 113 Cb 0.09 -1.63 0.03 0.00 0.00 0.00 0.00 31.44 29.93 3gra n GLU 113 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3gra n LEU 114 N -1.28 0.00 -0.06 -1.84 4.77 -1.04 -2.48 117.00 115.06 3gra n LEU 114 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3gra n LEU 114 Cb 0.13 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3gra n LEU 114 CO 0.00 0.00 -0.74 0.47 -1.33 0.00 0.00 177.39 175.79 3gra n ASP 115 N -0.51 1.53 -0.04 -1.43 8.00 -0.79 -4.00 116.55 119.31 3gra n ASP 115 Ca 0.01 0.25 -0.11 0.00 0.71 0.00 0.00 54.79 55.65 3gra n ASP 115 Cb 0.00 -0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 40.47 3gra n ASP 115 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3gra h ARG 116 N -0.67 0.23 -0.48 -1.24 -0.00 -1.77 -1.61 114.38 108.83 3gra h ARG 116 Ca -0.20 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.98 59.22 3gra h ARG 116 Cb 0.98 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.89 3gra h ARG 116 CO -0.12 0.27 0.18 1.37 0.00 0.00 0.00 179.97 181.67 3gra h LEU 117 N 0.13 0.67 0.25 3.04 8.10 -1.76 0.10 115.31 125.85 3gra h LEU 117 Ca 0.05 -0.18 -0.01 0.00 0.11 0.00 0.00 57.88 57.85 3gra h LEU 117 Cb 0.12 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 40.16 3gra h LEU 117 CO -0.01 0.67 -0.12 -0.07 -4.11 0.00 0.00 178.44 174.80 3gra h LEU 118 N 0.64 -0.29 -1.45 0.17 3.38 -1.68 -1.22 115.31 114.86 3gra h LEU 118 Ca 0.16 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.01 3gra h LEU 118 Cb 0.21 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3gra h LEU 118 CO -0.01 0.05 0.45 0.78 0.09 0.00 0.00 178.44 179.80 3gra h ASN 119 N -0.65 0.58 -0.66 -0.43 -0.26 -1.30 0.16 115.58 113.02 3gra h ASN 119 Ca -0.03 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.63 3gra h ASN 119 Cb 0.46 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.58 3gra h ASN 119 CO 0.06 0.37 0.09 0.44 -1.06 0.00 0.00 177.43 177.33 3gra h ASP 120 N 0.66 1.06 0.01 5.81 5.19 -0.63 0.34 116.42 128.86 3gra h ASP 120 Ca 0.30 -0.26 -0.15 0.00 -0.62 0.00 0.00 57.03 56.29 3gra h ASP 120 Cb 0.31 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 3gra h ASP 120 CO -0.10 1.06 -0.50 0.00 -3.12 0.00 0.00 179.24 176.58 3gra h ALA 122 N 1.01 1.01 0.00 0.00 0.00 -0.44 -1.46 119.26 119.39 3gra h ALA 122 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gra h ALA 122 Cb 1.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3gra h ALA 122 CO 0.10 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3gra n ALA 123 N -2.19 2.35 -0.57 0.00 0.00 0.12 -1.34 120.51 118.87 3gra n ALA 123 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3gra n ALA 123 Cb 0.41 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3gra n ALA 123 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3gra n HIS 124 N -0.68 0.00 -0.11 0.00 -0.00 -0.57 -5.03 115.22 108.84 3gra n HIS 124 Ca 0.07 -0.13 0.01 0.00 0.46 0.00 0.00 57.72 58.13 3gra n HIS 124 Cb 0.03 -0.01 -0.01 0.00 -0.12 0.00 0.00 29.99 29.88 3gra n HIS 124 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3gra n GLY 125 N -0.13 -2.29 3.60 1.57 0.00 -0.45 -5.09 105.19 102.39 3gra n GLY 125 Ca 0.00 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 3gra n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gra s ALA 127 N -2.53 3.02 0.05 4.61 0.00 -1.22 -4.88 121.76 120.81 3gra s ALA 127 Ca 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.03 3gra s ALA 127 Cb 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 3gra s ALA 127 CO 0.00 0.60 -0.10 -0.51 0.00 0.00 0.00 175.76 175.75 3gra s LEU 128 N -1.18 2.24 0.32 0.00 1.43 -0.93 -1.31 118.68 119.25 3gra s LEU 128 Ca 0.15 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 3gra s LEU 128 Cb -0.11 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 45.83 3gra s LEU 128 CO 0.05 -0.15 0.48 -0.83 0.23 0.00 0.00 176.35 176.13 3gra s GLY 129 N -1.52 1.18 -0.09 -3.19 0.00 -0.18 -0.99 107.32 102.54 3gra s GLY 129 Ca -0.07 -1.32 -0.19 0.00 0.00 0.00 0.00 44.72 43.13 3gra s GLY 129 CO 0.01 -0.89 0.47 -0.32 0.00 0.00 0.00 173.10 172.37 3gra s GLY 130 N -3.17 -0.34 0.09 0.20 0.00 -0.90 -0.38 107.32 102.82 3gra s GLY 130 Ca 0.28 0.99 0.10 0.00 0.00 0.00 0.00 44.72 46.09 3gra s GLY 130 CO 0.17 0.75 -0.24 1.08 0.00 0.00 0.00 173.10 174.86 3gra s LEU 131 N -0.64 2.37 0.00 0.66 1.43 -0.40 -1.82 118.68 120.28 3gra s LEU 131 Ca -0.07 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 3gra s LEU 131 Cb -0.03 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.85 3gra s LEU 131 CO 0.04 0.21 0.00 1.87 0.23 0.00 0.00 176.35 178.71 3gra n TRP 132 N 1.25 0.00 -1.57 0.29 -0.00 -0.52 -0.60 117.44 116.29 3gra n TRP 132 Ca -0.17 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.38 3gra n TRP 132 Cb 0.52 0.00 0.21 0.00 -0.00 0.00 0.00 31.31 32.04 3gra n TRP 132 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3gra n ASN 133 N 9.14 1.82 -0.06 5.87 0.23 -1.26 -4.09 115.26 126.90 3gra n ASN 133 Ca 0.00 -3.87 0.09 0.00 -0.53 0.00 0.00 54.58 50.27 3gra n ASN 133 Cb 0.00 -0.54 0.50 0.00 -2.08 0.00 0.00 39.78 37.66 3gra n ASN 133 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gra n GLY 134 N -1.13 -0.85 0.15 4.83 0.00 0.23 -2.64 105.19 105.78 3gra n GLY 134 Ca 0.20 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.18 3gra n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gra h ALA 135 N 3.60 0.70 -0.33 4.61 0.00 -1.82 -3.29 119.26 122.73 3gra h ALA 135 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3gra h ALA 135 Cb 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3gra h ALA 135 CO 0.00 0.15 0.14 0.11 0.00 0.00 0.00 179.25 179.65 3gra h TRP 136 N 0.00 0.49 0.00 0.00 0.09 -1.86 0.04 115.95 114.71 3gra h TRP 136 Ca -0.02 -0.03 -0.00 0.00 0.09 0.00 0.00 58.89 58.93 3gra h TRP 136 Cb 1.10 -0.15 -0.00 0.00 0.08 0.00 0.00 29.16 30.19 3gra h TRP 136 CO 0.00 0.45 -0.02 0.74 0.09 0.00 0.00 178.44 179.70 3gra h PHE 137 N 0.39 0.00 -0.02 0.12 0.04 -1.76 0.33 116.94 116.04 3gra h PHE 137 Ca 0.11 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.70 3gra h PHE 137 Cb 0.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 3gra h PHE 137 CO -0.01 0.02 -0.80 -0.07 -0.60 0.00 0.00 178.31 176.85 3gra h LEU 138 N 0.00 0.25 -2.08 1.54 4.07 -1.13 -3.08 115.31 114.89 3gra h LEU 138 Ca -0.00 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 57.77 3gra h LEU 138 Cb 0.27 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 3gra h LEU 138 CO 0.00 0.95 -0.02 1.23 -1.08 0.00 0.00 178.44 179.52 3gra h GLY 139 N 1.77 0.00 -2.04 0.83 0.00 0.13 -2.56 103.07 101.20 3gra h GLY 139 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3gra h GLY 139 CO 0.12 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.20 3gra n ARG 140 N -3.15 0.84 0.00 4.80 1.74 -1.13 -4.49 116.66 115.27 3gra n ARG 140 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3gra n ARG 140 Cb 0.21 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 3gra n ARG 140 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gra n ALA 141 N 0.61 0.00 -2.95 7.54 0.00 -1.00 -4.90 120.51 119.80 3gra n ALA 141 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3gra n ALA 141 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 3gra n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gra n GLY 142 N 0.00 0.67 0.00 0.00 0.00 -1.00 -5.11 105.19 99.75 3gra n GLY 142 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3gra n GLY 142 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gra n PRO 154 N 2.34 0.00 0.00 1.61 -0.04 -1.26 -4.95 135.00 132.69 3gra n PRO 154 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 3gra n PRO 154 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 3gra n PRO 154 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3gra n GLU 155 N 0.00 0.00 0.29 0.54 4.71 -1.26 -4.61 120.64 120.31 3gra n GLU 155 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.28 3gra n GLU 155 Cb 0.00 0.00 0.68 0.00 -1.01 0.00 0.00 31.44 31.11 3gra n GLU 155 CO 0.00 0.00 0.00 -0.56 0.09 0.00 0.00 177.13 176.66 3gra h GLN 156 N 0.00 0.00 0.00 3.49 -0.00 -2.02 -3.47 115.11 113.11 3gra h GLN 156 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3gra h GLN 156 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 3gra h GLN 156 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 178.83 179.37 3gra n ARG 157 N -2.66 0.00 0.18 0.06 3.00 -1.26 -5.08 116.66 110.90 3gra n ARG 157 Ca -0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.85 57.89 3gra n ARG 157 Cb 0.37 0.00 0.12 0.00 0.00 0.00 0.00 32.46 32.95 3gra n ARG 157 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3gra h SER 172 N 0.00 0.00 -5.59 0.55 4.64 -1.97 -3.51 113.55 107.67 3gra h SER 172 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3gra h SER 172 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 3gra h SER 172 CO 0.00 0.28 -0.57 0.72 -0.87 0.00 0.00 176.83 176.40 3gra s PHE 173 N -3.11 1.43 -0.28 4.77 -0.12 -1.26 -0.49 117.98 118.92 3gra s PHE 173 Ca 0.05 -1.48 -0.16 0.00 -0.05 0.00 0.00 56.93 55.29 3gra s PHE 173 Cb 0.07 -0.66 0.11 0.00 -0.63 0.00 0.00 43.02 41.91 3gra s PHE 173 CO 0.71 -0.70 0.80 0.99 -0.05 0.00 0.00 175.22 176.97 3gra s THR 174 N -3.84 -0.03 -0.40 -4.49 2.01 -0.59 -4.92 115.64 103.39 3gra s THR 174 Ca 0.39 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.38 3gra s THR 174 Cb 0.05 -1.00 0.11 0.00 0.01 0.00 0.00 72.50 71.67 3gra s THR 174 CO 0.18 0.00 0.17 -0.76 -0.69 0.00 0.00 174.62 173.52 3gra s LEU 175 N 1.57 5.10 -0.51 4.42 1.02 -1.26 -1.07 118.68 127.95 3gra s LEU 175 Ca -0.09 -2.12 -0.10 0.00 0.02 0.00 0.00 54.13 51.84 3gra s LEU 175 Cb -0.05 -1.77 0.13 0.00 0.02 0.00 0.00 46.19 44.52 3gra s LEU 175 CO -0.18 -0.48 0.40 -0.62 0.02 0.00 0.00 176.35 175.48 3gra s ASP 176 N 1.47 5.80 0.28 2.29 -1.08 -1.01 -4.97 116.67 119.46 3gra s ASP 176 Ca 0.10 -2.02 0.00 0.00 -0.52 0.00 0.00 52.55 50.11 3gra s ASP 176 Cb -0.22 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.21 3gra s ASP 176 CO -0.05 -0.68 0.00 0.54 0.52 0.00 0.00 175.17 175.49 3gra n ARG 177 N 4.79 0.00 -1.12 4.34 1.74 -1.26 -0.53 116.66 124.62 3gra n ARG 177 Ca -0.06 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.04 3gra n ARG 177 Cb 0.41 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.98 3gra n ARG 177 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3gra n ASP 178 N 3.99 1.91 -3.62 0.55 5.75 -1.26 -4.91 116.55 118.96 3gra n ASP 178 Ca 0.00 -3.31 -0.29 0.00 -0.01 0.00 0.00 54.79 51.18 3gra n ASP 178 Cb 0.00 -0.45 -0.14 0.00 -1.03 0.00 0.00 41.12 39.50 3gra n ASP 178 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3gra s ARG 179 N -2.50 0.66 0.37 0.11 1.81 0.31 -2.19 118.95 117.51 3gra s ARG 179 Ca 0.38 -1.17 -0.07 0.00 -1.72 0.00 0.00 55.73 53.15 3gra s ARG 179 Cb 0.38 -1.70 -0.05 0.00 -0.45 0.00 0.00 34.95 33.12 3gra s ARG 179 CO -0.08 -1.08 0.67 -0.51 -0.68 0.00 0.00 175.30 173.63 3gra s LEU 180 N 1.38 3.90 0.21 2.53 1.02 -0.16 -2.40 118.68 125.16 3gra s LEU 180 Ca 0.13 0.90 -0.18 0.00 0.02 0.00 0.00 54.13 55.00 3gra s LEU 180 Cb -0.20 -3.76 0.03 0.00 0.02 0.00 0.00 46.19 42.28 3gra s LEU 180 CO -0.17 -0.34 0.55 -0.55 0.02 0.00 0.00 176.35 175.85 3gra s SER 181 N -3.35 -0.27 -0.20 2.29 0.15 -0.23 -2.11 113.70 109.98 3gra s SER 181 Ca 0.47 -0.49 -0.29 0.00 0.70 0.00 0.00 55.95 56.34 3gra s SER 181 Cb -0.10 0.60 0.13 0.00 -1.71 0.00 0.00 66.02 64.93 3gra s SER 181 CO 0.33 -1.09 1.03 0.00 1.20 0.00 0.00 173.24 174.71 3gra s ALA 182 N -3.88 -1.96 -0.07 5.45 0.00 -0.76 -1.54 121.76 119.00 3gra s ALA 182 Ca 0.10 1.67 0.11 0.00 0.00 0.00 0.00 51.96 53.83 3gra s ALA 182 Cb -0.02 -0.95 0.16 0.00 0.00 0.00 0.00 23.12 22.32 3gra s ALA 182 CO -0.02 -0.28 1.06 0.00 0.00 0.00 0.00 175.76 176.52 3gra n ALA 183 N 1.10 2.10 -3.39 0.00 0.00 0.36 -1.44 120.51 119.25 3gra n ALA 183 Ca -0.10 -1.90 -0.13 0.00 0.00 0.00 0.00 53.44 51.31 3gra n ALA 183 Cb 0.57 -0.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 3gra n ALA 183 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gra s SER 184 N -2.02 -0.55 0.22 0.00 1.04 -1.26 -4.62 113.70 106.53 3gra s SER 184 Ca 0.18 0.12 -0.08 0.00 0.48 0.00 0.00 55.95 56.65 3gra s SER 184 Cb 0.16 0.57 0.29 0.00 0.10 0.00 0.00 66.02 67.13 3gra s SER 184 CO 0.02 -0.87 1.81 -0.65 0.98 0.00 0.00 173.24 174.53 3gra h PRO 185 N 2.28 0.73 -0.02 4.02 0.11 -1.91 0.13 132.00 137.34 3gra h PRO 185 Ca -0.32 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.65 3gra h PRO 185 Cb 1.27 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3gra h PRO 185 CO 0.39 0.48 -0.42 -0.97 -0.21 0.00 0.00 178.00 177.27 3gra h ASN 186 N 0.75 0.05 0.76 -2.05 -0.73 -1.95 -2.17 115.58 110.25 3gra h ASN 186 Ca 0.33 -0.02 -0.12 0.00 1.87 0.00 0.00 56.30 58.36 3gra h ASN 186 Cb 0.22 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 3gra h ASN 186 CO -0.19 0.47 -0.58 1.23 -0.37 0.00 0.00 177.43 177.99 3gra h GLY 187 N 1.27 0.00 -1.79 1.57 0.00 -1.38 -3.14 103.07 99.60 3gra h GLY 187 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gra h GLY 187 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.60 3gra n ALA 188 N -2.37 1.75 0.00 3.60 0.00 0.31 -1.40 120.51 122.40 3gra n ALA 188 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3gra n ALA 188 Cb 0.62 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3gra n ALA 188 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gra n GLU 190 N 0.73 0.00 0.00 0.00 -0.58 -1.19 -4.59 120.64 115.02 3gra n GLU 190 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3gra n GLU 190 Cb 0.14 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 3gra n GLU 190 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3gra n LEU 191 N 0.00 0.00 0.00 -4.62 7.94 -0.49 -0.04 117.00 119.79 3gra n LEU 191 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3gra n LEU 191 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3gra n LEU 191 CO 0.00 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.46 3gra n LEU 193 N -0.10 0.00 0.03 -1.96 4.77 -1.26 -2.40 117.00 116.08 3gra n LEU 193 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3gra n LEU 193 Cb 0.00 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 3gra n LEU 193 CO 0.00 0.00 0.69 1.23 -1.33 0.00 0.00 177.39 177.98 3gra h GLY 194 N 0.00 0.49 1.06 -0.72 0.00 -0.87 0.66 103.07 103.70 3gra h GLY 194 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3gra h GLY 194 CO 0.00 0.39 0.44 -2.00 0.00 0.00 0.00 176.54 175.37 3gra h LEU 195 N 0.39 1.10 -0.22 3.11 5.85 -1.71 -0.52 115.31 123.31 3gra h LEU 195 Ca 0.05 -0.11 -0.21 0.00 0.84 0.00 0.00 57.88 58.44 3gra h LEU 195 Cb 0.73 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 41.49 3gra h LEU 195 CO 0.06 0.90 -0.75 0.58 -0.34 0.00 0.00 178.44 178.89 3gra h VAL 196 N 1.21 1.29 0.00 1.05 2.07 -1.76 -1.48 116.25 118.63 3gra h VAL 196 Ca 0.30 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.83 3gra h VAL 196 Cb 0.07 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3gra h VAL 196 CO -0.04 0.62 -0.11 -0.09 0.02 0.00 0.00 177.57 177.97 3gra h ARG 197 N 0.52 0.00 0.00 1.57 2.43 -0.41 0.52 114.38 119.00 3gra h ARG 197 Ca -0.04 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 3gra h ARG 197 Cb 1.36 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.90 3gra h ARG 197 CO 0.15 0.11 -0.58 -0.09 -1.51 0.00 0.00 179.97 178.05 3gra h ARG 198 N 0.00 0.00 0.00 0.20 2.43 -1.03 -0.77 114.38 115.22 3gra h ARG 198 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3gra h ARG 198 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3gra h ARG 198 CO 0.01 0.92 0.00 1.28 -1.51 0.00 0.00 179.97 180.67 3gra n LEU 199 N -4.54 0.55 0.00 3.80 4.77 -0.57 -4.29 117.00 116.73 3gra n LEU 199 Ca -0.19 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3gra n LEU 199 Cb 0.54 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3gra n LEU 199 CO 0.25 -0.20 0.00 -1.22 -1.33 0.00 0.00 177.39 174.89 3gra n TYR 200 N -2.03 0.00 0.00 -1.77 4.02 0.15 -5.06 117.16 112.46 3gra n TYR 200 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 3gra n TYR 200 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 3gra n TYR 200 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gra n GLY 201 N 0.00 1.23 0.13 2.72 0.00 -0.29 -4.62 105.19 104.35 3gra n GLY 201 Ca 0.00 -2.10 -0.01 0.00 0.00 0.00 0.00 46.02 43.91 3gra n GLY 201 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gra h ASP 202 N 0.00 0.00 0.11 1.61 5.19 -1.88 -3.10 116.42 118.36 3gra h ASP 202 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3gra h ASP 202 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3gra h ASP 202 CO 0.00 0.65 -0.11 1.23 -3.12 0.00 0.00 179.24 177.89 3gra h GLY 203 N 2.27 -0.81 1.32 2.75 0.00 -1.94 0.24 103.07 106.90 3gra h GLY 203 Ca -0.01 0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.71 3gra h GLY 203 CO 0.08 -0.28 0.41 -2.00 0.00 0.00 0.00 176.54 174.75 3gra h LEU 204 N -0.23 0.65 -0.72 3.11 5.85 -1.82 -1.52 115.31 120.63 3gra h LEU 204 Ca -0.01 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 3gra h LEU 204 Cb 0.19 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3gra h LEU 204 CO -0.01 0.46 0.04 0.00 -0.34 0.00 0.00 178.44 178.58 3gra h ALA 205 N 1.63 0.93 -0.14 1.25 0.00 -1.44 -1.90 119.26 119.59 3gra h ALA 205 Ca 0.24 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 3gra h ALA 205 Cb 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3gra h ALA 205 CO -0.06 0.65 -0.63 1.05 0.00 0.00 0.00 179.25 180.25 3gra h GLU 206 N 0.94 0.52 -0.60 0.00 -0.00 0.12 -2.77 114.58 112.78 3gra h GLU 206 Ca 0.18 -0.36 -0.02 0.00 -0.00 0.00 0.00 59.36 59.15 3gra h GLU 206 Cb 0.49 0.06 -0.03 0.00 -0.00 0.00 0.00 28.75 29.27 3gra h GLU 206 CO 0.02 0.98 0.30 0.78 -0.00 0.00 0.00 179.01 181.09 3gra h GLY 207 N 1.10 0.92 0.98 1.06 0.00 -1.02 -2.52 103.07 103.59 3gra h GLY 207 Ca -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3gra h GLY 207 CO 0.12 0.43 0.27 -2.08 0.00 0.00 0.00 176.54 175.27 3gra h VAL 208 N 0.82 1.19 -0.04 4.60 2.07 -1.32 -2.66 116.25 120.91 3gra h VAL 208 Ca 0.21 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.22 3gra h VAL 208 Cb 0.10 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3gra h VAL 208 CO -0.03 0.21 0.03 -0.08 0.02 0.00 0.00 177.57 177.72 3gra h GLU 209 N 0.71 0.00 0.00 1.57 4.81 -1.20 -1.52 114.58 118.95 3gra h GLU 209 Ca 0.18 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.28 3gra h GLU 209 Cb 0.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3gra h GLU 209 CO -0.03 0.00 -0.64 0.93 -0.73 0.00 0.00 179.01 178.55 3gra h GLU 210 N 0.00 0.00 0.03 1.92 5.08 -1.10 -3.30 114.58 117.21 3gra h GLU 210 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3gra h GLU 210 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3gra h GLU 210 CO -0.00 0.64 -0.01 0.82 -1.00 0.00 0.00 179.01 179.45 3gra h ILE 211 N 0.00 1.24 -0.08 3.13 2.04 -1.19 -3.32 117.51 119.32 3gra h ILE 211 Ca -0.01 -1.79 0.02 0.00 1.00 0.00 0.00 64.86 64.09 3gra h ILE 211 Cb 1.30 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 39.65 3gra h ILE 211 CO 0.08 0.40 0.24 -0.07 0.00 0.00 0.00 178.15 178.80 3gra h LEU 212 N -0.94 0.00 -0.59 1.44 4.07 -1.61 -3.52 115.31 114.15 3gra h LEU 212 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3gra h LEU 212 Cb 0.68 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.42 3gra h LEU 212 CO 0.01 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.17