#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mdg s LYS 29 N 0.00 4.73 0.13 1.09 1.02 -1.26 -5.00 119.74 120.45 3mdg s LYS 29 Ca 0.00 1.46 -0.35 0.00 0.02 0.00 0.00 55.97 57.10 3mdg s LYS 29 Cb 0.00 -3.36 -0.16 0.00 -0.52 0.00 0.00 37.83 33.79 3mdg s LYS 29 CO 0.00 0.27 1.33 -2.30 -0.92 0.00 0.00 175.35 173.73 3mdg n PRO 30 N 2.54 1.35 0.00 -1.68 -0.02 -1.26 -4.65 135.00 131.28 3mdg n PRO 30 Ca 0.01 0.49 0.01 0.00 -2.02 0.00 0.00 63.50 61.99 3mdg n PRO 30 Cb 0.49 -2.11 0.05 0.00 -0.02 0.00 0.00 33.50 31.91 3mdg n PRO 30 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3mdg n LEU 31 N 2.49 0.00 0.05 2.45 4.77 -1.26 0.54 117.00 126.03 3mdg n LEU 31 Ca 0.17 0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 56.22 3mdg n LEU 31 Cb 0.23 -0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 3mdg n LEU 31 CO 0.62 -0.20 -0.32 0.00 -1.33 0.00 0.00 177.39 176.16 3mdg h THR 32 N 0.00 1.16 0.08 -5.08 1.03 -2.03 -3.38 112.91 104.70 3mdg h THR 32 Ca 0.00 -2.85 -0.25 0.00 -0.01 0.00 0.00 66.41 63.30 3mdg h THR 32 Cb 0.01 2.71 -0.01 0.00 -1.07 0.00 0.00 68.15 69.80 3mdg h THR 32 CO 0.00 0.79 -1.31 0.25 -0.01 0.00 0.00 175.52 175.25 3mdg h LEU 33 N 0.05 0.28 -7.61 0.00 5.85 -0.24 -3.46 115.31 110.17 3mdg h LEU 33 Ca -0.23 -0.80 -0.46 0.00 0.84 0.00 0.00 57.88 57.23 3mdg h LEU 33 Cb 1.98 -0.09 -0.37 0.00 0.37 0.00 0.00 40.66 42.56 3mdg h LEU 33 CO 0.14 1.56 -0.78 -0.70 -0.34 0.00 0.00 178.44 178.32 3mdg s GLU 34 N -2.44 0.94 -0.32 1.25 2.12 -0.18 -5.03 118.70 115.04 3mdg s GLU 34 Ca -0.22 -0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.07 3mdg s GLU 34 Cb 0.04 -1.12 0.08 0.00 0.26 0.00 0.00 34.13 33.39 3mdg s GLU 34 CO 0.73 -0.23 0.03 0.50 -0.54 0.00 0.00 175.26 175.74 3mdg s ARG 35 N 1.62 1.96 -0.12 4.30 6.06 -1.26 -4.09 118.95 127.42 3mdg s ARG 35 Ca 0.01 -1.61 -0.17 0.00 -2.50 0.00 0.00 55.73 51.46 3mdg s ARG 35 Cb -0.13 -3.19 -0.04 0.00 0.06 0.00 0.00 34.95 31.65 3mdg s ARG 35 CO -0.05 -0.81 0.42 0.99 -2.50 0.00 0.00 175.30 173.36 3mdg s THR 36 N 1.06 5.21 -0.04 4.11 2.01 -1.26 -0.93 115.64 125.80 3mdg s THR 36 Ca 0.02 0.83 0.03 0.00 0.31 0.00 0.00 61.69 62.88 3mdg s THR 36 Cb -0.20 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.56 3mdg s THR 36 CO -0.05 0.36 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.47 3mdg s ILE 37 N 0.48 1.17 -0.15 1.82 -1.09 -0.31 -4.96 121.20 118.16 3mdg s ILE 37 Ca 0.23 -0.55 -0.22 0.00 -2.23 0.00 0.00 60.65 57.87 3mdg s ILE 37 Cb -0.15 -1.03 -0.03 0.00 -1.58 0.00 0.00 42.46 39.68 3mdg s ILE 37 CO 0.09 0.35 0.69 0.20 -1.23 0.00 0.00 174.94 175.03 3mdg s ASN 38 N 0.26 6.82 0.12 3.58 -0.87 -1.26 -0.76 114.94 122.83 3mdg s ASN 38 Ca -0.07 1.00 0.05 0.00 -1.57 0.00 0.00 52.86 52.27 3mdg s ASN 38 Cb -0.12 -2.38 -0.04 0.00 -0.02 0.00 0.00 41.25 38.69 3mdg s ASN 38 CO 0.02 -0.25 0.03 -0.76 -2.57 0.00 0.00 177.10 173.58 3mdg s LEU 39 N 1.62 3.53 0.21 0.60 1.43 -0.19 -4.70 118.68 121.18 3mdg s LEU 39 Ca 0.33 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 3mdg s LEU 39 Cb -0.16 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 3mdg s LEU 39 CO 0.13 0.13 -0.04 -0.31 0.23 0.00 0.00 176.35 176.49 3mdg s TYR 40 N -1.50 1.51 0.74 0.29 2.02 -1.26 -0.31 117.35 118.84 3mdg s TYR 40 Ca 0.28 -0.85 -0.15 0.00 -0.37 0.00 0.00 57.07 55.97 3mdg s TYR 40 Cb -0.11 -0.84 0.05 0.00 -0.40 0.00 0.00 41.96 40.65 3mdg s TYR 40 CO 0.20 0.03 1.24 -2.14 -1.57 0.00 0.00 175.55 173.30 3mdg s PRO 41 N -3.82 2.00 0.31 -1.71 0.02 -1.26 -1.48 135.00 129.06 3mdg s PRO 41 Ca 0.25 1.86 0.02 0.00 0.02 0.00 0.00 61.00 63.15 3mdg s PRO 41 Cb 0.04 -1.80 0.57 0.00 0.02 0.00 0.00 34.50 33.33 3mdg s PRO 41 CO 0.07 -1.97 1.91 1.25 -0.33 0.00 0.00 177.00 177.92 3mdg h LEU 42 N -0.35 0.87 -2.12 -5.54 6.46 -1.83 -2.31 115.31 110.50 3mdg h LEU 42 Ca -0.48 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.29 3mdg h LEU 42 Cb 1.31 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 41.07 3mdg h LEU 42 CO 0.49 0.54 -0.03 0.71 -0.62 0.00 0.00 178.44 179.53 3mdg h THR 43 N 0.98 0.15 0.00 1.05 1.35 -1.90 -1.41 112.91 113.12 3mdg h THR 43 Ca 0.40 -0.34 -0.00 0.00 -0.55 0.00 0.00 66.41 65.91 3mdg h THR 43 Cb 0.27 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3mdg h THR 43 CO -0.16 0.03 -0.00 0.78 -0.25 0.00 0.00 175.52 175.93 3mdg h ASN 44 N 0.00 0.00 -3.87 5.36 4.21 -1.74 -3.42 115.58 116.11 3mdg h ASN 44 Ca -0.00 0.00 -0.69 0.00 1.21 0.00 0.00 56.30 56.82 3mdg h ASN 44 Cb 0.29 0.00 -0.21 0.00 -1.12 0.00 0.00 38.32 37.28 3mdg h ASN 44 CO 0.00 0.00 -0.74 -0.31 -1.29 0.00 0.00 177.43 175.09 3mdg s TYR 45 N -4.08 2.79 0.01 1.19 2.02 -0.53 -3.43 117.35 115.32 3mdg s TYR 45 Ca -0.04 -0.09 0.08 0.00 -0.37 0.00 0.00 57.07 56.65 3mdg s TYR 45 Cb 0.12 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 3mdg s TYR 45 CO 0.43 0.25 -0.24 0.95 -1.57 0.00 0.00 175.55 175.37 3mdg s THR 46 N -0.79 1.95 -0.26 -0.71 -4.23 -0.68 -4.99 115.64 105.94 3mdg s THR 46 Ca 0.12 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.50 3mdg s THR 46 Cb -0.11 -1.64 0.06 0.00 1.34 0.00 0.00 72.50 72.15 3mdg s THR 46 CO 0.02 0.45 -0.09 -0.36 -0.54 0.00 0.00 174.62 174.10 3mdg s PHE 47 N -0.66 3.07 0.00 3.99 0.08 -1.26 -1.07 117.98 122.13 3mdg s PHE 47 Ca 0.10 -2.22 0.00 0.00 0.12 0.00 0.00 56.93 54.93 3mdg s PHE 47 Cb -0.09 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.46 3mdg s PHE 47 CO 0.00 -0.86 0.00 0.41 -0.10 0.00 0.00 175.22 174.67 3mdg n GLY 48 N 4.48 1.07 3.28 4.36 0.00 0.60 -4.95 105.19 114.04 3mdg n GLY 48 Ca -0.12 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 3mdg n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mdg s THR 49 N 1.15 0.09 0.07 2.61 -4.23 -1.26 -2.65 115.64 111.42 3mdg s THR 49 Ca 0.00 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.76 3mdg s THR 49 Cb 0.00 -1.19 -0.00 0.00 1.34 0.00 0.00 72.50 72.65 3mdg s THR 49 CO 0.00 -0.42 0.07 2.29 -0.54 0.00 0.00 174.62 176.02 3mdg n LYS 50 N -0.06 0.10 -1.86 3.99 2.85 -0.78 -4.70 118.16 117.70 3mdg n LYS 50 Ca -0.16 -0.68 -0.37 0.00 -1.05 0.00 0.00 58.31 56.05 3mdg n LYS 50 Cb 0.63 0.58 0.05 0.00 -0.65 0.00 0.00 35.03 35.64 3mdg n LYS 50 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3mdg s GLU 51 N -2.26 2.80 0.55 -1.58 0.41 -1.26 -0.21 118.70 117.14 3mdg s GLU 51 Ca 0.08 1.99 -0.21 0.00 -0.41 0.00 0.00 54.97 56.42 3mdg s GLU 51 Cb 0.00 -1.93 -0.06 0.00 -1.78 0.00 0.00 34.13 30.37 3mdg s GLU 51 CO 0.06 -1.38 1.18 -0.35 -0.49 0.00 0.00 175.26 174.27 3mdg n PRO 52 N -1.66 1.37 -3.91 0.39 -0.04 -1.26 -4.06 135.00 125.83 3mdg n PRO 52 Ca 0.14 0.51 -0.30 0.00 -0.04 0.00 0.00 63.50 63.81 3mdg n PRO 52 Cb 0.48 -2.37 -0.15 0.00 -0.04 0.00 0.00 33.50 31.42 3mdg n PRO 52 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3mdg s LEU 53 N -2.60 3.31 0.08 1.53 2.96 -1.26 -4.92 118.68 117.77 3mdg s LEU 53 Ca 0.72 -1.68 -0.17 0.00 -0.22 0.00 0.00 54.13 52.78 3mdg s LEU 53 Cb -0.44 -1.26 -0.07 0.00 0.50 0.00 0.00 46.19 44.93 3mdg s LEU 53 CO 0.49 -0.34 0.53 -0.31 -1.32 0.00 0.00 176.35 175.40 3mdg s TYR 54 N 1.27 3.74 0.64 5.38 2.02 -1.26 -4.98 117.35 124.16 3mdg s TYR 54 Ca 0.05 1.16 -0.18 0.00 -0.37 0.00 0.00 57.07 57.73 3mdg s TYR 54 Cb -0.18 -2.42 -0.01 0.00 -0.40 0.00 0.00 41.96 38.95 3mdg s TYR 54 CO -0.12 0.56 1.24 -1.21 -1.57 0.00 0.00 175.55 174.44 3mdg s GLU 55 N -1.34 2.65 0.49 -0.62 2.02 -1.26 -4.89 118.70 115.76 3mdg s GLU 55 Ca 0.30 1.89 0.26 0.00 0.02 0.00 0.00 54.97 57.44 3mdg s GLU 55 Cb -0.18 -1.88 1.24 0.00 0.10 0.00 0.00 34.13 33.41 3mdg s GLU 55 CO 0.18 -1.47 1.97 0.87 0.02 0.00 0.00 175.26 176.83 3mdg h LYS 56 N 0.52 0.00 -5.42 1.61 1.79 -2.02 -3.41 116.57 109.63 3mdg h LYS 56 Ca -0.50 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.32 3mdg h LYS 56 Cb 1.31 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.73 3mdg h LYS 56 CO 0.53 0.17 -0.70 -0.51 -1.08 0.00 0.00 179.45 177.86 3mdg s ASP 57 N -6.17 4.52 0.00 0.86 1.01 -1.26 -5.00 116.67 110.64 3mdg s ASP 57 Ca -0.02 -0.18 0.25 0.00 0.71 0.00 0.00 52.55 53.32 3mdg s ASP 57 Cb 0.12 -1.64 0.54 0.00 1.01 0.00 0.00 42.92 42.95 3mdg s ASP 57 CO 0.60 0.20 1.44 -1.54 0.21 0.00 0.00 175.17 176.08 3mdg n SER 58 N 3.34 0.48 -3.68 0.27 3.41 -1.26 -4.94 113.62 111.25 3mdg n SER 58 Ca -0.18 -0.22 -0.10 0.00 -0.26 0.00 0.00 58.87 58.11 3mdg n SER 58 Cb 0.53 0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 64.65 3mdg n SER 58 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3mdg s SER 59 N -2.99 -0.27 0.27 4.04 1.04 -1.26 -5.03 113.70 109.50 3mdg s SER 59 Ca 0.11 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.12 3mdg s SER 59 Cb 0.18 0.55 0.40 0.00 0.10 0.00 0.00 66.02 67.24 3mdg s SER 59 CO 0.69 -0.98 1.90 0.58 0.98 0.00 0.00 173.24 176.41 3mdg h VAL 60 N 2.24 1.13 -0.59 5.02 2.07 -2.00 -2.03 116.25 122.08 3mdg h VAL 60 Ca -0.31 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3mdg h VAL 60 Cb 1.26 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3mdg h VAL 60 CO 0.40 0.22 0.34 0.00 0.02 0.00 0.00 177.57 178.55 3mdg h ALA 61 N 1.45 0.76 -0.01 1.67 0.00 -2.00 -2.44 119.26 118.67 3mdg h ALA 61 Ca 0.41 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 3mdg h ALA 61 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3mdg h ALA 61 CO -0.15 0.26 -0.69 0.00 0.00 0.00 0.00 179.25 178.67 3mdg h ALA 62 N 1.16 0.82 -0.29 0.00 0.00 -1.91 -2.47 119.26 116.57 3mdg h ALA 62 Ca 0.21 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3mdg h ALA 62 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3mdg h ALA 62 CO -0.04 0.83 0.17 -0.09 0.00 0.00 0.00 179.25 180.13 3mdg h ARG 63 N 0.05 0.39 0.00 0.00 2.43 -0.91 -0.63 114.38 115.71 3mdg h ARG 63 Ca -0.01 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 3mdg h ARG 63 Cb 1.23 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3mdg h ARG 63 CO 0.10 0.31 -0.43 0.74 -1.51 0.00 0.00 179.97 179.18 3mdg h PHE 64 N 0.36 0.00 -0.49 2.20 0.04 -1.48 -1.62 116.94 115.95 3mdg h PHE 64 Ca 0.10 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 3mdg h PHE 64 Cb 0.02 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 3mdg h PHE 64 CO -0.04 0.43 0.07 0.37 -0.60 0.00 0.00 178.31 178.53 3mdg h GLN 65 N 0.00 0.82 0.00 1.51 -0.00 -1.16 -2.62 115.11 113.66 3mdg h GLN 65 Ca -0.00 -0.23 -0.09 0.00 -0.00 0.00 0.00 58.65 58.33 3mdg h GLN 65 Cb 1.12 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.49 3mdg h GLN 65 CO 0.06 0.83 -0.44 -0.09 0.00 0.00 0.00 178.83 179.19 3mdg h ARG 66 N 0.69 0.00 -0.59 1.69 2.43 -1.01 -2.91 114.38 114.69 3mdg h ARG 66 Ca 0.15 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 3mdg h ARG 66 Cb 0.41 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 3mdg h ARG 66 CO 0.01 0.44 0.03 1.98 -1.51 0.00 0.00 179.97 180.92 3mdg h MET 67 N 0.00 1.00 -0.26 0.20 4.05 -1.20 -2.65 114.93 116.07 3mdg h MET 67 Ca -0.00 -0.29 -0.07 0.00 -0.28 0.00 0.00 59.70 59.06 3mdg h MET 67 Cb 1.12 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 3mdg h MET 67 CO 0.06 0.97 -0.10 0.00 0.23 0.00 0.00 176.91 178.06 3mdg h ARG 68 N 0.93 0.53 0.35 0.39 3.08 -1.35 -1.28 114.38 117.03 3mdg h ARG 68 Ca 0.17 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3mdg h ARG 68 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3mdg h ARG 68 CO 0.02 0.77 -0.25 0.93 -1.07 0.00 0.00 179.97 180.37 3mdg h GLU 69 N 0.27 -0.58 0.00 0.04 5.08 -1.50 -2.01 114.58 115.88 3mdg h GLU 69 Ca 0.06 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3mdg h GLU 69 Cb 0.59 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3mdg h GLU 69 CO 0.03 -0.38 -0.26 0.93 -1.00 0.00 0.00 179.01 178.33 3mdg h GLU 70 N -0.60 0.00 0.39 2.33 5.08 -1.54 0.58 114.58 120.83 3mdg h GLU 70 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3mdg h GLU 70 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3mdg h GLU 70 CO 0.01 0.26 -0.19 0.35 -1.00 0.00 0.00 179.01 178.44 3mdg h PHE 71 N 0.00 -0.48 -0.92 4.33 3.57 -0.87 0.60 116.94 123.16 3mdg h PHE 71 Ca -0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 3mdg h PHE 71 Cb 0.59 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 3mdg h PHE 71 CO 0.00 -0.19 0.59 -0.44 -2.23 0.00 0.00 178.31 176.05 3mdg h ASP 72 N -0.75 0.95 0.30 0.41 3.32 -1.20 -0.45 116.42 119.00 3mdg h ASP 72 Ca -0.05 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3mdg h ASP 72 Cb 0.52 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3mdg h ASP 72 CO 0.09 0.63 -0.15 0.50 -1.72 0.00 0.00 179.24 178.59 3mdg h LYS 73 N 1.10 -0.39 -0.05 3.56 3.64 -0.65 -3.40 116.57 120.38 3mdg h LYS 73 Ca 0.39 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3mdg h LYS 73 Cb 0.11 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3mdg h LYS 73 CO -0.15 -0.26 0.00 0.44 -2.27 0.00 0.00 179.45 177.21 3mdg n ILE 74 N -4.65 0.16 -1.64 2.00 -5.35 0.20 -5.06 119.36 105.02 3mdg n ILE 74 Ca -0.05 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 3mdg n ILE 74 Cb 0.16 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.12 3mdg n ILE 74 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mdg n GLY 75 N 0.42 -1.77 3.68 3.28 0.00 -0.18 -4.97 105.19 105.65 3mdg n GLY 75 Ca 0.05 -1.74 -0.44 0.00 0.00 0.00 0.00 46.02 43.89 3mdg n GLY 75 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3mdg n MET 76 N 0.00 2.12 -2.14 1.61 0.00 -1.26 -3.98 117.12 113.47 3mdg n MET 76 Ca 0.00 0.75 -0.42 0.00 -0.00 0.00 0.00 57.70 58.03 3mdg n MET 76 Cb 0.00 -2.43 -0.03 0.00 0.00 0.00 0.00 33.22 30.76 3mdg n MET 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 3mdg s ARG 77 N -0.35 4.24 -0.40 2.12 3.52 -0.21 -4.92 118.95 122.95 3mdg s ARG 77 Ca 0.68 2.06 -0.14 0.00 -0.13 0.00 0.00 55.73 58.20 3mdg s ARG 77 Cb -0.63 -3.67 0.02 0.00 -1.56 0.00 0.00 34.95 29.11 3mdg s ARG 77 CO 0.49 -0.67 0.27 1.03 -0.81 0.00 0.00 175.30 175.61 3mdg s ARG 78 N 2.84 2.93 -0.07 5.12 0.52 -1.26 -0.48 118.95 128.54 3mdg s ARG 78 Ca 0.67 -1.03 0.02 0.00 -0.52 0.00 0.00 55.73 54.87 3mdg s ARG 78 Cb -0.33 -3.90 -0.02 0.00 0.52 0.00 0.00 34.95 31.22 3mdg s ARG 78 CO 0.27 -0.73 -0.13 0.99 0.02 0.00 0.00 175.30 175.73 3mdg s THR 79 N 1.64 3.19 0.07 0.02 2.01 -0.18 -1.19 115.64 121.20 3mdg s THR 79 Ca 0.04 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.45 3mdg s THR 79 Cb -0.19 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 3mdg s THR 79 CO 0.09 0.58 -0.20 0.68 -0.69 0.00 0.00 174.62 175.08 3mdg s VAL 80 N -0.53 1.63 0.05 3.82 -7.23 -0.83 -0.47 120.40 116.84 3mdg s VAL 80 Ca 0.07 -1.36 -0.06 0.00 -1.81 0.00 0.00 61.98 58.82 3mdg s VAL 80 Cb -0.12 -1.46 -0.01 0.00 0.56 0.00 0.00 36.38 35.36 3mdg s VAL 80 CO 0.02 0.04 0.11 -1.61 -0.31 0.00 0.00 175.10 173.34 3mdg s GLU 81 N -1.56 0.64 -0.08 4.82 2.02 -0.61 -1.32 118.70 122.60 3mdg s GLU 81 Ca 0.06 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.26 3mdg s GLU 81 Cb -0.09 0.25 -0.01 0.00 0.10 0.00 0.00 34.13 34.38 3mdg s GLU 81 CO 0.03 -0.17 -0.21 0.20 0.02 0.00 0.00 175.26 175.13 3mdg s GLY 82 N -2.32 1.39 -0.39 -1.39 0.00 0.11 -1.11 107.32 103.60 3mdg s GLY 82 Ca -0.02 -0.98 -0.09 0.00 0.00 0.00 0.00 44.72 43.62 3mdg s GLY 82 CO -0.06 -0.47 0.21 0.14 0.00 0.00 0.00 173.10 172.92 3mdg s VAL 83 N 0.02 4.24 -0.22 1.40 1.01 0.10 -4.01 120.40 122.93 3mdg s VAL 83 Ca -0.08 -1.19 -0.09 0.00 0.00 0.00 0.00 61.98 60.62 3mdg s VAL 83 Cb -0.15 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 3mdg s VAL 83 CO 0.05 -0.36 0.12 -0.76 0.00 0.00 0.00 175.10 174.15 3mdg s LEU 84 N 1.46 3.98 0.00 3.92 1.02 -1.26 -2.07 118.68 125.73 3mdg s LEU 84 Ca 0.02 0.08 0.08 0.00 0.02 0.00 0.00 54.13 54.33 3mdg s LEU 84 Cb -0.21 -2.05 -0.02 0.00 0.02 0.00 0.00 46.19 43.93 3mdg s LEU 84 CO 0.04 0.10 -0.25 -0.63 0.02 0.00 0.00 176.35 175.62 3mdg s ILE 85 N 0.86 2.03 0.42 -0.59 1.01 -1.26 -1.76 121.20 121.91 3mdg s ILE 85 Ca 0.06 -1.18 0.04 0.00 0.00 0.00 0.00 60.65 59.57 3mdg s ILE 85 Cb -0.13 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 3mdg s ILE 85 CO 0.03 0.49 0.14 0.68 0.00 0.00 0.00 174.94 176.27 3mdg s VAL 86 N -0.67 0.55 0.14 2.92 -7.23 -0.50 -4.63 120.40 110.98 3mdg s VAL 86 Ca 0.10 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.32 3mdg s VAL 86 Cb -0.10 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 3mdg s VAL 86 CO 0.00 0.00 -0.10 -1.38 -0.31 0.00 0.00 175.10 173.31 3mdg s HIS 87 N -3.18 1.24 -0.10 2.82 -3.43 -0.55 0.08 115.29 112.17 3mdg s HIS 87 Ca 0.22 -0.74 -0.02 0.00 -0.80 0.00 0.00 55.06 53.72 3mdg s HIS 87 Cb 0.02 -0.64 0.04 0.00 -1.43 0.00 0.00 32.58 30.57 3mdg s HIS 87 CO 0.15 0.07 0.02 -1.21 -2.00 0.00 0.00 174.74 171.77 3mdg s GLU 88 N -3.61 0.54 -1.39 -0.38 2.02 -0.92 -2.31 118.70 112.66 3mdg s GLU 88 Ca 0.15 -0.00 -0.05 0.00 0.02 0.00 0.00 54.97 55.09 3mdg s GLU 88 Cb 0.02 -1.25 0.00 0.00 0.10 0.00 0.00 34.13 33.00 3mdg s GLU 88 CO 0.00 -0.40 0.40 0.72 0.02 0.00 0.00 175.26 176.00 3mdg n HIS 89 N 5.14 -1.59 -2.56 1.61 8.25 -1.26 -2.64 115.22 122.18 3mdg n HIS 89 Ca -0.07 0.64 -0.12 0.00 -0.26 0.00 0.00 57.72 57.91 3mdg n HIS 89 Cb 0.49 -3.48 0.01 0.00 1.12 0.00 0.00 29.99 28.14 3mdg n HIS 89 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3mdg n ARG 90 N -4.45 -2.23 -3.82 -0.41 1.74 -1.26 -5.03 116.66 101.20 3mdg n ARG 90 Ca -0.28 0.50 -0.21 0.00 -0.77 0.00 0.00 57.85 57.09 3mdg n ARG 90 Cb 0.67 -4.51 -0.17 0.00 -1.02 0.00 0.00 32.46 27.43 3mdg n ARG 90 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3mdg s LEU 91 N -3.65 0.70 0.28 0.55 2.01 -1.08 -5.10 118.68 112.39 3mdg s LEU 91 Ca 0.13 -0.04 -0.30 0.00 0.01 0.00 0.00 54.13 53.92 3mdg s LEU 91 Cb -0.06 -0.32 -0.12 0.00 0.01 0.00 0.00 46.19 45.70 3mdg s LEU 91 CO 0.15 -0.17 1.56 -2.65 1.01 0.00 0.00 176.35 176.25 3mdg n PRO 92 N 4.84 2.56 -5.05 1.29 -0.02 -1.26 -2.15 135.00 135.21 3mdg n PRO 92 Ca -0.12 0.91 -0.29 0.00 -2.02 0.00 0.00 63.50 61.98 3mdg n PRO 92 Cb 0.50 -2.67 -0.16 0.00 -0.02 0.00 0.00 33.50 31.15 3mdg n PRO 92 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3mdg s HIS 93 N 0.02 2.09 -0.10 6.00 3.76 0.11 -3.17 115.29 124.00 3mdg s HIS 93 Ca 0.65 -0.64 -0.15 0.00 -0.15 0.00 0.00 55.06 54.78 3mdg s HIS 93 Cb -0.53 -1.39 -0.05 0.00 1.11 0.00 0.00 32.58 31.72 3mdg s HIS 93 CO 0.48 -0.21 0.36 0.08 -0.85 0.00 0.00 174.74 174.60 3mdg s VAL 94 N -0.00 5.21 -0.10 -0.90 1.01 0.16 -1.42 120.40 124.36 3mdg s VAL 94 Ca -0.05 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 3mdg s VAL 94 Cb -0.13 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3mdg s VAL 94 CO 0.03 0.45 1.07 -0.76 0.00 0.00 0.00 175.10 175.90 3mdg s LEU 95 N -0.06 4.25 0.01 3.92 1.43 -0.72 -0.64 118.68 126.87 3mdg s LEU 95 Ca 0.21 1.62 0.07 0.00 -1.03 0.00 0.00 54.13 54.99 3mdg s LEU 95 Cb -0.14 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 3mdg s LEU 95 CO 0.08 -0.50 -0.21 -0.76 0.23 0.00 0.00 176.35 175.19 3mdg s LEU 96 N 2.15 2.10 -0.35 1.79 1.43 -0.16 -4.65 118.68 120.98 3mdg s LEU 96 Ca 0.51 -0.44 -0.22 0.00 -1.03 0.00 0.00 54.13 52.94 3mdg s LEU 96 Cb -0.20 -1.03 0.01 0.00 0.03 0.00 0.00 46.19 44.99 3mdg s LEU 96 CO 0.19 0.21 0.73 -0.76 0.23 0.00 0.00 176.35 176.95 3mdg s LEU 97 N -0.79 4.16 -0.32 1.79 1.43 0.28 -1.31 118.68 123.92 3mdg s LEU 97 Ca 0.08 0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 53.33 3mdg s LEU 97 Cb -0.08 -2.95 -0.01 0.00 0.03 0.00 0.00 46.19 43.18 3mdg s LEU 97 CO 0.00 -0.66 0.58 -1.58 0.23 0.00 0.00 176.35 174.92 3mdg s GLN 98 N 2.94 3.81 -0.04 1.70 0.74 0.39 -0.80 119.66 128.40 3mdg s GLN 98 Ca 0.29 0.13 0.13 0.00 0.05 0.00 0.00 55.36 55.96 3mdg s GLN 98 Cb -0.14 -3.75 -0.23 0.00 1.10 0.00 0.00 33.01 29.99 3mdg s GLN 98 CO 0.15 -0.58 0.67 1.28 -0.55 0.00 0.00 175.29 176.26 3mdg n LEU 99 N 5.81 0.87 0.00 3.68 4.32 -0.78 -1.79 117.00 129.12 3mdg n LEU 99 Ca -0.03 0.41 -0.02 0.00 -0.02 0.00 0.00 56.01 56.36 3mdg n LEU 99 Cb 0.49 0.17 -0.00 0.00 -1.62 0.00 0.00 43.42 42.45 3mdg n LEU 99 CO 0.45 0.38 0.03 0.61 -1.22 0.00 0.00 177.39 177.64 3mdg n GLY 100 N 1.55 2.89 0.30 -0.72 0.00 -1.23 -4.91 105.19 103.07 3mdg n GLY 100 Ca -0.17 -1.39 0.18 0.00 0.00 0.00 0.00 46.02 44.65 3mdg n GLY 100 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3mdg h THR 101 N 1.16 0.21 0.00 2.61 1.35 -2.03 -3.25 112.91 112.96 3mdg h THR 101 Ca -0.04 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3mdg h THR 101 Cb 0.18 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3mdg h THR 101 CO 0.06 0.03 0.00 0.35 -0.25 0.00 0.00 175.52 175.71 3mdg n THR 102 N -3.31 0.14 -4.66 6.82 -2.24 -1.26 -5.03 114.28 104.74 3mdg n THR 102 Ca -0.02 -0.53 -0.26 0.00 -2.27 0.00 0.00 64.05 60.97 3mdg n THR 102 Cb 0.17 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.23 3mdg n THR 102 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3mdg s PHE 103 N -0.14 1.70 -0.02 4.78 5.36 -1.23 -4.96 117.98 123.46 3mdg s PHE 103 Ca 0.00 -0.67 0.06 0.00 -0.96 0.00 0.00 56.93 55.36 3mdg s PHE 103 Cb 0.00 -1.22 -0.01 0.00 -0.34 0.00 0.00 43.02 41.45 3mdg s PHE 103 CO 0.00 -0.33 -0.20 -0.06 -1.46 0.00 0.00 175.22 173.18 3mdg s PHE 104 N 0.67 1.80 0.19 10.12 0.08 -1.26 -1.86 117.98 127.73 3mdg s PHE 104 Ca -0.14 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.57 3mdg s PHE 104 Cb -0.16 -1.17 -0.05 0.00 -0.57 0.00 0.00 43.02 41.07 3mdg s PHE 104 CO 0.04 -0.07 -0.07 -1.59 -0.10 0.00 0.00 175.22 173.43 3mdg s LYS 105 N -0.35 1.23 0.22 0.44 -2.85 0.02 -4.96 119.74 113.49 3mdg s LYS 105 Ca 0.05 -1.57 -0.11 0.00 -1.00 0.00 0.00 55.97 53.33 3mdg s LYS 105 Cb -0.09 -0.74 -0.07 0.00 -2.06 0.00 0.00 37.83 34.87 3mdg s LYS 105 CO 0.00 0.03 0.57 -0.51 0.10 0.00 0.00 175.35 175.54 3mdg s LEU 106 N -3.26 4.20 0.13 2.77 1.43 -1.26 -0.56 118.68 122.13 3mdg s LEU 106 Ca 0.23 0.99 -0.34 0.00 -1.03 0.00 0.00 54.13 53.98 3mdg s LEU 106 Cb 0.03 -3.63 -0.14 0.00 0.03 0.00 0.00 46.19 42.49 3mdg s LEU 106 CO 0.05 -0.04 1.58 -0.81 0.23 0.00 0.00 176.35 177.36 3mdg n PRO 107 N 0.06 2.03 -3.94 1.29 -0.04 -1.26 -4.80 135.00 128.35 3mdg n PRO 107 Ca -0.01 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 3mdg n PRO 107 Cb 0.52 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 3mdg n PRO 107 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mdg n GLY 108 N 3.41 -0.94 0.00 0.55 0.00 -1.26 0.04 105.19 106.98 3mdg n GLY 108 Ca 0.18 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3mdg n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mdg n GLY 109 N 0.00 -0.74 3.77 -0.02 0.00 -0.43 -4.94 105.19 102.82 3mdg n GLY 109 Ca 0.00 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 3mdg n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mdg s GLU 110 N -1.56 4.20 0.49 1.61 2.02 -1.26 -1.96 118.70 122.23 3mdg s GLU 110 Ca 0.00 0.46 -0.19 0.00 0.02 0.00 0.00 54.97 55.26 3mdg s GLU 110 Cb 0.00 -3.35 -0.08 0.00 0.10 0.00 0.00 34.13 30.80 3mdg s GLU 110 CO 0.00 0.37 1.01 -0.51 0.02 0.00 0.00 175.26 176.15 3mdg s LEU 111 N -0.08 3.78 0.43 1.80 1.43 -0.33 -4.99 118.68 120.72 3mdg s LEU 111 Ca 0.25 1.78 -0.21 0.00 -1.03 0.00 0.00 54.13 54.92 3mdg s LEU 111 Cb -0.16 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.41 3mdg s LEU 111 CO 0.12 -0.69 0.97 0.20 0.23 0.00 0.00 176.35 177.18 3mdg s ASN 112 N -2.34 6.86 0.09 2.29 0.01 -1.26 -4.79 114.94 115.79 3mdg s ASN 112 Ca 0.64 1.75 -0.36 0.00 -0.71 0.00 0.00 52.86 54.18 3mdg s ASN 112 Cb -0.13 -2.55 -0.17 0.00 0.41 0.00 0.00 41.25 38.81 3mdg s ASN 112 CO 0.22 -0.42 1.29 -2.65 -1.51 0.00 0.00 177.10 174.04 3mdg n PRO 113 N -0.59 1.04 0.00 -0.60 -0.02 -1.26 -0.81 135.00 132.77 3mdg n PRO 113 Ca 0.07 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3mdg n PRO 113 Cb 0.53 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3mdg n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mdg n GLY 114 N 2.37 2.44 3.75 -1.23 0.00 -1.26 -4.98 105.19 106.27 3mdg n GLY 114 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3mdg n GLY 114 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mdg n GLU 115 N -1.54 2.43 -1.85 1.61 2.13 0.01 -4.95 120.64 118.48 3mdg n GLU 115 Ca 0.00 0.85 -0.39 0.00 0.66 0.00 0.00 57.16 58.28 3mdg n GLU 115 Cb 0.00 -2.54 0.02 0.00 0.27 0.00 0.00 31.44 29.18 3mdg n GLU 115 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3mdg s ASP 116 N -0.23 5.84 0.03 4.31 2.15 -1.26 -4.87 116.67 122.63 3mdg s ASP 116 Ca 0.55 2.83 -0.25 0.00 0.43 0.00 0.00 52.55 56.11 3mdg s ASP 116 Cb -0.50 -2.65 -0.18 0.00 -0.30 0.00 0.00 42.92 39.29 3mdg s ASP 116 CO 0.63 -1.19 1.47 -0.33 -0.17 0.00 0.00 175.17 175.57 3mdg h GLU 117 N 2.20 -0.06 -0.24 4.34 5.08 -1.98 0.19 114.58 124.12 3mdg h GLU 117 Ca -0.51 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.68 3mdg h GLU 117 Cb 1.27 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 3mdg h GLU 117 CO 0.61 0.21 -0.56 0.28 -1.00 0.00 0.00 179.01 178.54 3mdg h VAL 118 N -0.32 1.30 -0.36 3.13 2.07 -1.98 0.41 116.25 120.50 3mdg h VAL 118 Ca -0.01 -1.77 -0.03 0.00 0.82 0.00 0.00 66.70 65.72 3mdg h VAL 118 Cb 0.29 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3mdg h VAL 118 CO 0.01 0.57 0.13 -0.33 0.02 0.00 0.00 177.57 177.96 3mdg h GLU 119 N 0.55 0.56 0.07 1.57 5.08 -1.95 -1.83 114.58 118.63 3mdg h GLU 119 Ca 0.01 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3mdg h GLU 119 Cb 1.14 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3mdg h GLU 119 CO 0.11 0.56 -0.03 0.78 -1.00 0.00 0.00 179.01 179.43 3mdg h GLY 120 N 0.44 -0.10 0.41 -3.84 0.00 -0.56 -2.20 103.07 97.23 3mdg h GLY 120 Ca 0.12 0.04 0.13 0.00 0.00 0.00 0.00 47.33 47.61 3mdg h GLY 120 CO -0.01 -0.04 0.57 -2.00 0.00 0.00 0.00 176.54 175.07 3mdg h LEU 121 N -0.13 0.81 -0.54 3.11 5.85 -0.85 -1.48 115.31 122.09 3mdg h LEU 121 Ca -0.01 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3mdg h LEU 121 Cb 0.10 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3mdg h LEU 121 CO 0.02 0.41 0.23 0.11 -0.34 0.00 0.00 178.44 178.87 3mdg h LYS 122 N 0.88 0.80 -0.23 1.25 1.57 -1.05 -1.30 116.57 118.49 3mdg h LYS 122 Ca 0.48 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 59.18 3mdg h LYS 122 Cb 0.53 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 3mdg h LYS 122 CO -0.29 0.69 -0.14 -0.09 -0.57 0.00 0.00 179.45 179.06 3mdg h ARG 123 N 0.73 -0.12 -0.53 3.15 1.12 -0.76 -2.45 114.38 115.53 3mdg h ARG 123 Ca 0.18 0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 59.03 3mdg h ARG 123 Cb 0.18 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.14 3mdg h ARG 123 CO -0.02 -0.08 0.23 -0.07 -3.11 0.00 0.00 179.97 176.93 3mdg h LEU 124 N -0.12 0.72 -1.70 3.80 3.38 -1.05 -2.50 115.31 117.84 3mdg h LEU 124 Ca 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3mdg h LEU 124 Cb 0.31 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3mdg h LEU 124 CO -0.30 0.68 -0.02 0.24 0.09 0.00 0.00 178.44 179.13 3mdg h MET 125 N 0.72 0.16 0.06 1.13 2.86 -1.13 -2.10 114.93 116.63 3mdg h MET 125 Ca 0.18 -0.02 -0.26 0.00 -2.06 0.00 0.00 59.70 57.54 3mdg h MET 125 Cb 0.17 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.81 3mdg h MET 125 CO -0.02 0.20 -1.09 1.15 1.06 0.00 0.00 176.91 178.21 3mdg h THR 126 N 0.16 1.39 0.30 2.22 2.02 -1.22 -1.92 112.91 115.86 3mdg h THR 126 Ca 0.04 -2.58 -0.00 0.00 0.77 0.00 0.00 66.41 64.64 3mdg h THR 126 Cb 0.15 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 3mdg h THR 126 CO 0.00 0.77 -0.26 -0.33 0.37 0.00 0.00 175.52 176.07 3mdg h GLU 127 N 0.21 -0.55 0.00 6.66 5.08 -1.16 -0.50 114.58 124.31 3mdg h GLU 127 Ca -0.12 0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 3mdg h GLU 127 Cb 1.76 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 31.12 3mdg h GLU 127 CO 0.19 -0.37 -0.52 0.82 -1.00 0.00 0.00 179.01 178.14 3mdg h ILE 128 N -0.58 1.02 0.00 3.13 2.04 -1.46 -3.40 117.51 118.27 3mdg h ILE 128 Ca -0.02 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.78 3mdg h ILE 128 Cb 0.52 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 3mdg h ILE 128 CO -0.03 0.51 0.00 -0.11 0.00 0.00 0.00 178.15 178.51 3mdg n LEU 129 N -3.41 0.00 -4.69 1.44 7.94 -0.73 -4.12 117.00 113.42 3mdg n LEU 129 Ca 0.01 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 3mdg n LEU 129 Cb 0.65 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.58 3mdg n LEU 129 CO 0.40 0.02 1.00 -0.83 -1.11 0.00 0.00 177.39 176.87 3mdg s GLY 130 N 0.00 2.06 0.54 -3.96 0.00 -0.20 -1.73 107.32 104.03 3mdg s GLY 130 Ca 0.00 0.77 -0.20 0.00 0.00 0.00 0.00 44.72 45.29 3mdg s GLY 130 CO 0.00 2.29 0.72 -0.96 0.00 0.00 0.00 173.10 175.15 3mdg n ARG 131 N 4.99 0.75 -0.24 2.90 1.85 -1.26 -4.47 116.66 121.18 3mdg n ARG 131 Ca 0.11 0.28 0.07 0.00 -1.00 0.00 0.00 57.85 57.32 3mdg n ARG 131 Cb 0.45 -1.85 0.20 0.00 -1.05 0.00 0.00 32.46 30.21 3mdg n ARG 131 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3mdg n GLN 132 N -0.20 2.88 -0.29 2.89 6.02 -1.26 -4.59 117.38 122.83 3mdg n GLN 132 Ca 0.12 -2.23 -0.05 0.00 -0.01 0.00 0.00 57.00 54.83 3mdg n GLN 132 Cb 0.45 -1.38 0.05 0.00 1.02 0.00 0.00 30.24 30.39 3mdg n GLN 132 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3mdg n ASP 133 N 0.68 3.04 0.00 1.08 5.75 -1.26 -4.84 116.55 121.00 3mdg n ASP 133 Ca 0.15 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 3mdg n ASP 133 Cb 0.50 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 3mdg n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mdg n GLY 134 N 0.10 1.82 3.72 6.12 0.00 -1.26 -4.95 105.19 110.74 3mdg n GLY 134 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3mdg n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mdg s VAL 135 N -1.32 2.75 0.01 1.61 1.01 -1.26 -4.94 120.40 118.26 3mdg s VAL 135 Ca 0.00 0.56 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 3mdg s VAL 135 Cb 0.00 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 32.93 3mdg s VAL 135 CO 0.00 0.05 1.99 0.18 0.00 0.00 0.00 175.10 177.32 3mdg n LEU 136 N 3.63 4.06 -4.34 3.92 4.77 -1.26 -4.91 117.00 122.87 3mdg n LEU 136 Ca 0.12 0.86 -0.39 0.00 -0.03 0.00 0.00 56.01 56.57 3mdg n LEU 136 Cb 0.40 -1.52 -0.12 0.00 -2.33 0.00 0.00 43.42 39.85 3mdg n LEU 136 CO 0.61 0.13 -0.21 -1.58 -1.33 0.00 0.00 177.39 175.01 3mdg s GLN 137 N 4.58 2.82 -0.26 3.23 0.74 -1.26 -5.08 119.66 124.43 3mdg s GLN 137 Ca 0.90 -1.07 -0.10 0.00 0.05 0.00 0.00 55.36 55.15 3mdg s GLN 137 Cb -0.45 -3.60 -0.05 0.00 1.10 0.00 0.00 33.01 30.02 3mdg s GLN 137 CO 0.42 -0.64 0.16 -0.51 -0.55 0.00 0.00 175.29 174.17 3mdg s ASP 138 N 1.50 5.83 -0.11 6.67 1.01 -1.26 -5.06 116.67 125.25 3mdg s ASP 138 Ca 0.01 -0.03 -0.17 0.00 0.71 0.00 0.00 52.55 53.07 3mdg s ASP 138 Cb -0.19 -2.07 -0.05 0.00 1.01 0.00 0.00 42.92 41.62 3mdg s ASP 138 CO 0.05 -0.02 0.42 0.26 0.21 0.00 0.00 175.17 176.09 3mdg s TRP 139 N 1.58 3.53 -0.41 4.23 0.52 -1.26 -4.88 118.94 122.25 3mdg s TRP 139 Ca 0.07 0.83 -0.13 0.00 0.02 0.00 0.00 56.10 56.89 3mdg s TRP 139 Cb -0.15 -2.46 0.04 0.00 -1.15 0.00 0.00 33.47 29.75 3mdg s TRP 139 CO 0.08 0.25 0.28 0.08 0.02 0.00 0.00 176.95 177.66 3mdg s VAL 140 N 0.34 4.88 -0.35 4.03 1.01 -1.26 -5.03 120.40 124.02 3mdg s VAL 140 Ca 0.23 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3mdg s VAL 140 Cb -0.15 -3.78 0.10 0.00 0.00 0.00 0.00 36.38 32.55 3mdg s VAL 140 CO 0.09 -0.35 0.10 -0.63 0.00 0.00 0.00 175.10 174.30 3mdg s ILE 141 N 1.60 1.66 -0.33 2.22 1.01 -1.26 -0.71 121.20 125.38 3mdg s ILE 141 Ca 0.03 -2.04 0.08 0.00 0.00 0.00 0.00 60.65 58.72 3mdg s ILE 141 Cb -0.20 -2.23 -0.09 0.00 0.01 0.00 0.00 42.46 39.95 3mdg s ILE 141 CO 0.07 -0.67 0.32 0.47 0.00 0.00 0.00 174.94 175.13 3mdg n ASP 142 N 4.37 0.68 -3.84 3.58 8.00 -1.26 -5.03 116.55 123.05 3mdg n ASP 142 Ca 0.02 -0.61 -0.22 0.00 0.71 0.00 0.00 54.79 54.69 3mdg n ASP 142 Cb 0.41 1.04 -0.17 0.00 -0.02 0.00 0.00 41.12 42.38 3mdg n ASP 142 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3mdg s ASP 143 N -1.87 1.35 -0.04 -2.24 1.11 -1.26 -5.07 116.67 108.65 3mdg s ASP 143 Ca 0.02 -0.12 -0.23 0.00 0.18 0.00 0.00 52.55 52.40 3mdg s ASP 143 Cb 0.06 -0.48 -0.04 0.00 1.07 0.00 0.00 42.92 43.53 3mdg s ASP 143 CO 0.32 -0.13 0.68 0.00 1.18 0.00 0.00 175.17 177.23 3mdg n ILE 145 N 3.41 0.00 -3.60 0.00 -5.35 -0.07 -4.91 119.36 108.85 3mdg n ILE 145 Ca -0.03 -0.29 0.01 0.00 -0.27 0.00 0.00 62.75 62.17 3mdg n ILE 145 Cb 0.51 0.80 -0.01 0.00 -1.74 0.00 0.00 39.64 39.20 3mdg n ILE 145 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3mdg s GLY 146 N -1.97 -0.38 -0.02 3.28 0.00 -1.19 -4.94 107.32 102.10 3mdg s GLY 146 Ca 0.01 1.22 0.02 0.00 0.00 0.00 0.00 44.72 45.97 3mdg s GLY 146 CO 0.27 0.33 -0.05 -1.31 0.00 0.00 0.00 173.10 172.34 3mdg s ASN 147 N -2.64 0.75 -0.01 1.64 0.01 -1.26 -1.07 114.94 112.36 3mdg s ASN 147 Ca 0.13 -0.11 0.06 0.00 -0.71 0.00 0.00 52.86 52.23 3mdg s ASN 147 Cb 0.04 -0.20 -0.01 0.00 0.41 0.00 0.00 41.25 41.48 3mdg s ASN 147 CO -0.05 0.02 -0.18 0.26 -1.51 0.00 0.00 177.10 175.65 3mdg s TRP 148 N 0.25 1.63 0.03 2.20 0.52 -0.01 -4.37 118.94 119.19 3mdg s TRP 148 Ca -0.03 -0.31 0.09 0.00 0.02 0.00 0.00 56.10 55.87 3mdg s TRP 148 Cb -0.07 -1.05 -0.03 0.00 -1.15 0.00 0.00 33.47 31.18 3mdg s TRP 148 CO -0.00 -0.03 -0.26 -1.58 0.02 0.00 0.00 176.95 175.10 3mdg s TRP 149 N -0.43 2.33 -0.43 -1.98 0.51 0.79 -0.27 118.94 119.45 3mdg s TRP 149 Ca 0.07 -0.42 -0.06 0.00 -2.12 0.00 0.00 56.10 53.57 3mdg s TRP 149 Cb -0.07 -1.42 0.11 0.00 -0.81 0.00 0.00 33.47 31.28 3mdg s TRP 149 CO -0.01 0.09 0.26 0.50 -0.51 0.00 0.00 176.95 177.28 3mdg s ARG 150 N -1.09 2.27 0.26 4.98 3.52 0.03 -1.26 118.95 127.66 3mdg s ARG 150 Ca 0.11 -1.75 -0.04 0.00 -0.13 0.00 0.00 55.73 53.93 3mdg s ARG 150 Cb -0.10 -3.74 0.32 0.00 -1.56 0.00 0.00 34.95 29.88 3mdg s ARG 150 CO 0.01 -1.10 1.84 -1.00 -0.81 0.00 0.00 175.30 174.24 3mdg h PRO 151 N 8.25 1.02 -5.08 5.12 0.13 -1.86 0.25 132.00 139.82 3mdg h PRO 151 Ca -0.18 -0.17 -0.65 0.00 -0.87 0.00 0.00 66.00 64.14 3mdg h PRO 151 Cb 1.06 -0.17 -0.13 0.00 0.13 0.00 0.00 31.00 31.89 3mdg h PRO 151 CO 0.77 0.82 -0.50 -0.80 -0.23 0.00 0.00 178.00 178.06 3mdg s ASN 152 N -6.44 3.74 -0.14 1.44 0.01 -1.26 -3.83 114.94 108.47 3mdg s ASN 152 Ca -0.11 -1.72 -0.02 0.00 -0.71 0.00 0.00 52.86 50.29 3mdg s ASN 152 Cb 0.16 0.66 -0.02 0.00 0.41 0.00 0.00 41.25 42.46 3mdg s ASN 152 CO 0.81 -0.95 2.58 0.49 -1.51 0.00 0.00 177.10 178.52 3mdg n PHE 153 N -1.19 0.58 -4.53 2.20 3.72 -1.26 -4.69 117.46 112.27 3mdg n PHE 153 Ca -0.16 -1.49 -0.25 0.00 -0.05 0.00 0.00 57.45 55.49 3mdg n PHE 153 Cb 0.66 -1.04 -0.10 0.00 -0.94 0.00 0.00 39.48 38.05 3mdg n PHE 153 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3mdg s GLU 154 N -0.37 1.81 0.30 -1.08 2.02 -1.26 -4.96 118.70 115.17 3mdg s GLU 154 Ca 0.35 -2.03 -0.01 0.00 0.02 0.00 0.00 54.97 53.29 3mdg s GLU 154 Cb 0.20 -1.16 0.48 0.00 0.10 0.00 0.00 34.13 33.75 3mdg s GLU 154 CO -0.03 -0.17 1.95 -1.35 0.02 0.00 0.00 175.26 175.68 3mdg h PRO 155 N 1.92 1.05 -6.41 0.39 0.11 -2.03 -3.46 132.00 123.58 3mdg h PRO 155 Ca -0.42 -0.06 -0.62 0.00 0.11 0.00 0.00 66.00 65.01 3mdg h PRO 155 Cb 1.25 -0.24 0.05 0.00 0.11 0.00 0.00 31.00 32.17 3mdg h PRO 155 CO 0.73 0.70 0.74 -2.30 -0.21 0.00 0.00 178.00 177.65 3mdg n PRO 156 N -4.43 1.84 -4.55 1.05 -0.02 -1.26 -5.02 135.00 122.62 3mdg n PRO 156 Ca 0.10 0.67 -0.22 0.00 -2.02 0.00 0.00 63.50 62.03 3mdg n PRO 156 Cb 0.08 -2.40 -0.14 0.00 -0.02 0.00 0.00 33.50 31.01 3mdg n PRO 156 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3mdg s GLN 157 N 1.19 1.11 0.07 -0.52 -0.21 -1.26 -4.33 119.66 115.71 3mdg s GLN 157 Ca 0.82 -0.65 0.06 0.00 0.02 0.00 0.00 55.36 55.61 3mdg s GLN 157 Cb -0.77 -1.10 -0.03 0.00 1.00 0.00 0.00 33.01 32.11 3mdg s GLN 157 CO 0.43 0.29 -0.16 0.71 -2.12 0.00 0.00 175.29 174.44 3mdg s TYR 158 N -0.58 1.36 -0.86 0.91 2.02 -0.39 -4.91 117.35 114.90 3mdg s TYR 158 Ca 0.04 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 3mdg s TYR 158 Cb -0.07 -0.76 0.05 0.00 -0.40 0.00 0.00 41.96 40.78 3mdg s TYR 158 CO 0.00 0.09 0.63 -0.35 -1.57 0.00 0.00 175.55 174.35 3mdg n PRO 159 N 1.31 1.24 -3.63 -1.71 -0.04 -1.26 -0.15 135.00 130.76 3mdg n PRO 159 Ca -0.20 -0.21 -0.13 0.00 -0.04 0.00 0.00 63.50 62.92 3mdg n PRO 159 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 3mdg n PRO 159 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3mdg s TYR 160 N -1.03 -0.32 -0.29 0.54 1.13 -1.26 -4.81 117.35 111.32 3mdg s TYR 160 Ca 0.04 0.28 -0.29 0.00 -1.41 0.00 0.00 57.07 55.69 3mdg s TYR 160 Cb 0.03 0.27 0.00 0.00 -1.10 0.00 0.00 41.96 41.16 3mdg s TYR 160 CO 0.01 -0.61 1.26 0.42 -2.51 0.00 0.00 175.55 174.12 3mdg s ILE 161 N -2.62 4.21 0.93 -3.49 1.01 -1.26 -4.58 121.20 115.40 3mdg s ILE 161 Ca -0.04 1.38 -0.11 0.00 0.00 0.00 0.00 60.65 61.88 3mdg s ILE 161 Cb -0.00 -4.18 0.15 0.00 0.01 0.00 0.00 42.46 38.43 3mdg s ILE 161 CO -0.03 -0.44 1.10 -2.84 0.00 0.00 0.00 174.94 172.72 3mdg s PRO 162 N 4.02 0.96 0.19 2.79 0.02 -1.26 -4.86 135.00 136.87 3mdg s PRO 162 Ca 0.54 1.14 -0.33 0.00 0.02 0.00 0.00 61.00 62.37 3mdg s PRO 162 Cb -0.16 -1.75 -0.13 0.00 0.02 0.00 0.00 34.50 32.48 3mdg s PRO 162 CO 0.21 -2.54 1.65 0.00 -0.33 0.00 0.00 177.00 176.00 3mdg n ALA 163 N -4.13 2.18 -0.97 -1.55 0.00 -1.26 -2.55 120.51 112.24 3mdg n ALA 163 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3mdg n ALA 163 Cb 0.54 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3mdg n ALA 163 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mdg n HIS 164 N 3.65 0.00 -2.90 0.00 8.25 -1.26 -4.96 115.22 118.01 3mdg n HIS 164 Ca 0.16 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.19 3mdg n HIS 164 Cb 0.32 -0.50 -0.04 0.00 1.12 0.00 0.00 29.99 30.89 3mdg n HIS 164 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mdg s ILE 165 N -2.08 4.46 -0.01 1.59 1.09 -1.06 -4.86 121.20 120.35 3mdg s ILE 165 Ca 0.00 0.07 0.11 0.00 -1.10 0.00 0.00 60.65 59.73 3mdg s ILE 165 Cb 0.00 -4.52 -0.20 0.00 -1.06 0.00 0.00 42.46 36.68 3mdg s ILE 165 CO 0.00 -1.10 0.89 0.71 -0.10 0.00 0.00 174.94 175.34 3mdg h THR 166 N 5.99 1.08 -2.96 2.92 1.35 -1.93 -3.43 112.91 115.93 3mdg h THR 166 Ca -0.27 -2.84 -0.61 0.00 -0.55 0.00 0.00 66.41 62.14 3mdg h THR 166 Cb 1.08 2.51 -0.41 0.00 -1.73 0.00 0.00 68.15 69.60 3mdg h THR 166 CO 1.08 0.61 -0.69 -0.54 -0.25 0.00 0.00 175.52 175.73 3mdg s LYS 167 N -2.67 1.87 0.43 4.72 3.01 -1.26 -5.09 119.74 120.74 3mdg s LYS 167 Ca -0.02 -2.76 -0.24 0.00 -1.01 0.00 0.00 55.97 51.94 3mdg s LYS 167 Cb 0.09 -2.80 -0.08 0.00 -1.01 0.00 0.00 37.83 34.03 3mdg s LYS 167 CO 0.82 -1.26 1.21 -2.14 0.51 0.00 0.00 175.35 174.49 3mdg s PRO 168 N -0.67 3.86 0.06 -1.68 0.02 -1.26 -4.87 135.00 130.46 3mdg s PRO 168 Ca 0.24 1.92 0.09 0.00 0.02 0.00 0.00 61.00 63.27 3mdg s PRO 168 Cb -0.09 -2.57 -0.22 0.00 0.02 0.00 0.00 34.50 31.64 3mdg s PRO 168 CO -0.12 -0.51 1.05 0.87 -0.33 0.00 0.00 177.00 177.96 3mdg h LYS 169 N 2.35 0.00 -4.05 5.54 1.79 -0.61 -3.44 116.57 118.15 3mdg h LYS 169 Ca -0.49 -0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 57.69 3mdg h LYS 169 Cb 1.25 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 31.61 3mdg h LYS 169 CO 0.61 0.81 -0.74 -2.00 -1.08 0.00 0.00 179.45 177.05 3mdg s GLU 170 N -2.67 0.24 -0.20 3.15 2.12 -1.13 -1.04 118.70 119.17 3mdg s GLU 170 Ca -0.01 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.23 3mdg s GLU 170 Cb 0.09 -0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.28 3mdg s GLU 170 CO 0.82 0.06 -0.16 -1.58 -0.54 0.00 0.00 175.26 173.86 3mdg s HIS 171 N -0.05 2.80 -0.17 5.30 5.65 0.37 -0.79 115.29 128.39 3mdg s HIS 171 Ca 0.01 -1.77 -0.08 0.00 0.25 0.00 0.00 55.06 53.48 3mdg s HIS 171 Cb -0.01 -1.87 -0.04 0.00 -1.18 0.00 0.00 32.58 29.48 3mdg s HIS 171 CO -0.00 -0.81 0.09 0.21 -0.65 0.00 0.00 174.74 173.58 3mdg s LYS 172 N 1.27 3.91 -0.07 2.88 2.20 0.63 -1.01 119.74 129.55 3mdg s LYS 172 Ca 0.01 -0.29 0.05 0.00 -0.36 0.00 0.00 55.97 55.38 3mdg s LYS 172 Cb -0.15 -3.24 -0.00 0.00 -1.51 0.00 0.00 37.83 32.93 3mdg s LYS 172 CO -0.10 0.37 -0.23 0.21 -0.36 0.00 0.00 175.35 175.24 3mdg s LYS 173 N 0.11 2.53 -0.10 4.03 2.20 0.38 -0.83 119.74 128.07 3mdg s LYS 173 Ca 0.06 -0.82 -0.01 0.00 -0.36 0.00 0.00 55.97 54.85 3mdg s LYS 173 Cb -0.12 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 34.12 3mdg s LYS 173 CO 0.00 0.27 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.69 3mdg s LEU 174 N 0.08 3.19 0.03 5.43 1.02 -0.24 -1.58 118.68 126.62 3mdg s LEU 174 Ca -0.09 -0.06 0.07 0.00 0.02 0.00 0.00 54.13 54.07 3mdg s LEU 174 Cb -0.15 -1.72 -0.02 0.00 0.02 0.00 0.00 46.19 44.32 3mdg s LEU 174 CO 0.05 0.30 -0.19 -0.36 0.02 0.00 0.00 176.35 176.17 3mdg s PHE 175 N -0.44 1.67 -0.19 0.29 0.08 -0.27 -0.89 117.98 118.23 3mdg s PHE 175 Ca 0.07 -0.36 -0.22 0.00 0.12 0.00 0.00 56.93 56.53 3mdg s PHE 175 Cb -0.12 -1.00 -0.02 0.00 -0.57 0.00 0.00 43.02 41.30 3mdg s PHE 175 CO 0.02 0.06 0.69 -1.17 -0.10 0.00 0.00 175.22 174.72 3mdg s LEU 176 N -1.07 4.15 -0.32 -0.37 2.96 -0.21 -0.73 118.68 123.09 3mdg s LEU 176 Ca 0.06 0.93 -0.10 0.00 -0.22 0.00 0.00 54.13 54.80 3mdg s LEU 176 Cb -0.08 -2.99 -0.01 0.00 0.50 0.00 0.00 46.19 43.61 3mdg s LEU 176 CO 0.01 -0.31 0.18 -0.69 -1.32 0.00 0.00 176.35 174.22 3mdg s VAL 177 N 1.96 4.75 -0.24 1.68 1.01 -0.88 -3.99 120.40 124.69 3mdg s VAL 177 Ca 0.31 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.59 3mdg s VAL 177 Cb -0.16 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3mdg s VAL 177 CO 0.11 0.02 1.01 -1.10 0.00 0.00 0.00 175.10 175.13 3mdg s GLN 178 N 1.63 4.22 0.27 2.72 -0.21 0.11 -4.41 119.66 123.99 3mdg s GLN 178 Ca 0.05 1.26 -0.25 0.00 0.02 0.00 0.00 55.36 56.43 3mdg s GLN 178 Cb -0.17 -3.65 -0.09 0.00 1.00 0.00 0.00 33.01 30.09 3mdg s GLN 178 CO 0.07 -0.64 0.88 -0.51 -2.12 0.00 0.00 175.29 172.97 3mdg s LEU 179 N 3.19 4.42 1.24 2.90 1.43 -1.26 -4.00 118.68 126.60 3mdg s LEU 179 Ca 0.43 1.75 -0.18 0.00 -1.03 0.00 0.00 54.13 55.10 3mdg s LEU 179 Cb -0.15 -3.78 0.30 0.00 0.03 0.00 0.00 46.19 42.60 3mdg s LEU 179 CO 0.07 0.02 1.02 -1.10 0.23 0.00 0.00 176.35 176.59 3mdg s GLN 180 N -1.80 -1.54 0.16 1.70 1.11 -1.26 -4.94 119.66 113.09 3mdg s GLN 180 Ca 0.46 0.34 -0.13 0.00 0.01 0.00 0.00 55.36 56.03 3mdg s GLN 180 Cb -0.20 -1.52 0.05 0.00 -1.01 0.00 0.00 33.01 30.33 3mdg s GLN 180 CO 0.25 -4.01 1.72 1.49 0.01 0.00 0.00 175.29 174.75 3mdg h GLU 181 N -2.81 0.78 -4.53 2.91 4.81 -1.97 -3.43 114.58 110.33 3mdg h GLU 181 Ca -0.51 -0.13 -0.28 0.00 -0.13 0.00 0.00 59.36 58.31 3mdg h GLU 181 Cb 1.33 -0.13 -0.22 0.00 0.63 0.00 0.00 28.75 30.36 3mdg h GLU 181 CO 0.41 0.67 -0.74 0.15 -0.73 0.00 0.00 179.01 178.77 3mdg s LYS 182 N -5.60 0.51 0.09 1.92 1.02 -1.26 -4.83 119.74 111.59 3mdg s LYS 182 Ca -0.13 -0.70 -0.18 0.00 0.02 0.00 0.00 55.97 54.98 3mdg s LYS 182 Cb 0.12 -0.30 0.04 0.00 -0.52 0.00 0.00 37.83 37.17 3mdg s LYS 182 CO 0.78 0.05 0.42 0.00 -0.92 0.00 0.00 175.35 175.68 3mdg s ALA 183 N -1.26 -1.02 -0.18 5.17 0.00 -1.22 -5.03 121.76 118.22 3mdg s ALA 183 Ca -0.09 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 3mdg s ALA 183 Cb -0.09 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 3mdg s ALA 183 CO 0.00 -0.56 -0.09 -1.17 0.00 0.00 0.00 175.76 173.94 3mdg s LEU 184 N -2.42 2.77 0.03 0.00 2.96 -1.26 -1.68 118.68 119.07 3mdg s LEU 184 Ca -0.01 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 3mdg s LEU 184 Cb 0.01 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 3mdg s LEU 184 CO -0.07 0.05 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.47 3mdg s PHE 185 N 1.02 2.56 -0.26 5.38 0.08 -0.23 -4.15 117.98 122.38 3mdg s PHE 185 Ca -0.00 -0.25 -0.01 0.00 0.12 0.00 0.00 56.93 56.78 3mdg s PHE 185 Cb -0.15 -1.49 0.03 0.00 -0.57 0.00 0.00 43.02 40.85 3mdg s PHE 185 CO -0.01 0.23 -0.06 0.00 -0.10 0.00 0.00 175.22 175.28 3mdg s ALA 186 N -0.88 2.69 -0.23 5.36 0.00 -0.71 -0.29 121.76 127.71 3mdg s ALA 186 Ca 0.14 -1.55 -0.12 0.00 0.00 0.00 0.00 51.96 50.43 3mdg s ALA 186 Cb -0.10 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 3mdg s ALA 186 CO 0.04 -0.94 0.23 0.08 0.00 0.00 0.00 175.76 175.18 3mdg s VAL 187 N 1.28 5.31 0.24 0.00 1.01 -1.09 -3.87 120.40 123.29 3mdg s VAL 187 Ca -0.02 0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.99 3mdg s VAL 187 Cb -0.18 -3.57 -0.14 0.00 0.00 0.00 0.00 36.38 32.50 3mdg s VAL 187 CO -0.04 0.32 1.24 -2.65 0.00 0.00 0.00 175.10 173.97 3mdg n PRO 188 N 4.32 1.65 0.33 2.72 -0.02 -1.26 -1.87 135.00 140.87 3mdg n PRO 188 Ca -0.13 0.58 0.18 0.00 -2.02 0.00 0.00 63.50 62.11 3mdg n PRO 188 Cb 0.52 -2.13 0.95 0.00 -0.02 0.00 0.00 33.50 32.82 3mdg n PRO 188 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3mdg h LYS 189 N 3.33 0.00 0.00 -0.52 1.57 -0.74 0.20 116.57 120.41 3mdg h LYS 189 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3mdg h LYS 189 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3mdg h LYS 189 CO 0.70 0.00 -0.16 -2.95 -0.57 0.00 0.00 179.45 176.47 3mdg h ASN 190 N 0.00 0.00 -2.41 0.86 -1.07 -1.87 -3.46 115.58 107.64 3mdg h ASN 190 Ca 0.00 -0.03 -0.52 0.00 0.07 0.00 0.00 56.30 55.83 3mdg h ASN 190 Cb 0.45 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.67 3mdg h ASN 190 CO -0.00 0.01 -0.49 -0.31 0.07 0.00 0.00 177.43 176.72 3mdg s TYR 191 N -3.16 3.33 -0.12 4.14 1.51 0.70 -4.76 117.35 118.99 3mdg s TYR 191 Ca 0.08 0.00 0.01 0.00 -1.01 0.00 0.00 57.07 56.15 3mdg s TYR 191 Cb 0.10 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.39 3mdg s TYR 191 CO 0.65 0.50 -0.16 0.15 -1.11 0.00 0.00 175.55 175.58 3mdg s LYS 192 N -3.55 3.28 0.07 -0.62 1.02 -0.74 -4.75 119.74 114.45 3mdg s LYS 192 Ca 0.33 -0.74 -0.25 0.00 0.02 0.00 0.00 55.97 55.33 3mdg s LYS 192 Cb -0.10 -2.54 -0.06 0.00 -0.52 0.00 0.00 37.83 34.62 3mdg s LYS 192 CO 0.27 0.21 0.78 -1.17 -0.92 0.00 0.00 175.35 174.52 3mdg s LEU 193 N 0.33 4.47 0.13 3.17 2.96 -1.26 -0.46 118.68 128.01 3mdg s LEU 193 Ca -0.13 1.50 0.05 0.00 -0.22 0.00 0.00 54.13 55.33 3mdg s LEU 193 Cb -0.16 -3.27 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 3mdg s LEU 193 CO 0.07 0.03 -0.12 0.68 -1.32 0.00 0.00 176.35 175.69 3mdg s VAL 194 N -0.19 1.19 -0.31 1.68 -7.23 -0.43 -4.96 120.40 110.15 3mdg s VAL 194 Ca 0.39 -1.83 -0.01 0.00 -1.81 0.00 0.00 61.98 58.73 3mdg s VAL 194 Cb -0.21 -1.60 0.06 0.00 0.56 0.00 0.00 36.38 35.19 3mdg s VAL 194 CO 0.24 -0.57 0.00 0.00 -0.31 0.00 0.00 175.10 174.47 3mdg s ALA 195 N -2.63 2.81 -0.22 1.32 0.00 -1.26 -0.99 121.76 120.79 3mdg s ALA 195 Ca 0.11 -1.90 -0.13 0.00 0.00 0.00 0.00 51.96 50.04 3mdg s ALA 195 Cb -0.02 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 3mdg s ALA 195 CO 0.02 -1.34 0.28 0.00 0.00 0.00 0.00 175.76 174.71 3mdg s ALA 196 N 1.19 3.58 0.55 0.00 0.00 0.19 -4.82 121.76 122.46 3mdg s ALA 196 Ca -0.03 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.02 3mdg s ALA 196 Cb -0.20 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 3mdg s ALA 196 CO -0.03 -0.25 1.18 -1.25 0.00 0.00 0.00 175.76 175.41 3mdg s PRO 197 N 1.19 3.23 0.41 0.00 0.04 -1.26 -0.67 135.00 137.94 3mdg s PRO 197 Ca 0.13 1.75 0.11 0.00 0.04 0.00 0.00 61.00 63.04 3mdg s PRO 197 Cb -0.14 -2.03 0.94 0.00 0.04 0.00 0.00 34.50 33.30 3mdg s PRO 197 CO 0.06 -0.98 1.96 -0.07 0.04 0.00 0.00 177.00 178.01 3mdg h LEU 198 N 1.18 0.47 -1.96 -3.56 3.38 -1.92 -1.02 115.31 111.88 3mdg h LEU 198 Ca -0.50 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 3mdg h LEU 198 Cb 1.28 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3mdg h LEU 198 CO 0.57 0.28 -0.08 2.19 0.09 0.00 0.00 178.44 181.49 3mdg h PHE 199 N 0.52 0.00 -0.04 1.13 -0.00 -1.91 -0.25 116.94 116.39 3mdg h PHE 199 Ca 0.31 0.00 -0.21 0.00 -0.00 0.00 0.00 57.97 58.06 3mdg h PHE 199 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.45 3mdg h PHE 199 CO -0.00 0.08 -0.86 1.49 -0.00 0.00 0.00 178.31 179.01 3mdg h GLU 200 N 0.00 0.46 0.21 6.09 4.57 -1.55 -3.32 114.58 121.04 3mdg h GLU 200 Ca -0.00 -0.44 -0.32 0.00 -1.18 0.00 0.00 59.36 57.42 3mdg h GLU 200 Cb 0.34 0.11 0.04 0.00 -0.16 0.00 0.00 28.75 29.08 3mdg h GLU 200 CO 0.01 1.09 -1.38 -0.07 -1.18 0.00 0.00 179.01 177.48 3mdg h LEU 201 N 0.28 0.84 -9.77 1.64 3.38 -1.30 -3.44 115.31 106.95 3mdg h LEU 201 Ca -0.06 -0.90 -0.53 0.00 0.09 0.00 0.00 57.88 56.48 3mdg h LEU 201 Cb 1.48 -0.27 0.07 0.00 0.09 0.00 0.00 40.66 42.03 3mdg h LEU 201 CO 0.15 1.67 0.86 -0.47 0.09 0.00 0.00 178.44 180.75 3mdg s TYR 202 N -2.70 2.85 -1.44 1.13 5.04 -0.18 -2.20 117.35 119.85 3mdg s TYR 202 Ca -0.09 0.80 -0.05 0.00 -2.44 0.00 0.00 57.07 55.28 3mdg s TYR 202 Cb 0.04 -4.00 0.03 0.00 0.35 0.00 0.00 41.96 38.37 3mdg s TYR 202 CO 0.94 -3.41 0.47 -0.25 -1.34 0.00 0.00 175.55 171.96 3mdg n ASP 203 N 2.47 -5.15 -2.59 4.32 10.43 -1.25 -4.89 116.55 119.88 3mdg n ASP 203 Ca 0.09 -0.25 -0.10 0.00 2.57 0.00 0.00 54.79 57.09 3mdg n ASP 203 Cb 0.38 -4.21 0.03 0.00 1.84 0.00 0.00 41.12 39.16 3mdg n ASP 203 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3mdg n ASN 204 N -2.35 2.54 -0.35 -2.24 2.85 -0.94 -4.84 115.26 109.93 3mdg n ASN 204 Ca -0.10 -2.72 0.07 0.00 -0.11 0.00 0.00 54.58 51.72 3mdg n ASN 204 Cb 0.60 -0.46 0.25 0.00 1.24 0.00 0.00 39.78 41.40 3mdg n ASN 204 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3mdg h ALA 205 N 2.62 1.54 -0.80 5.20 0.00 -1.79 -0.58 119.26 125.45 3mdg h ALA 205 Ca 0.02 0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.14 3mdg h ALA 205 Cb 1.26 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 3mdg h ALA 205 CO 0.45 0.23 0.55 -1.35 0.00 0.00 0.00 179.25 179.13 3mdg h PRO 206 N 0.99 0.19 0.00 0.00 0.11 -1.88 0.87 132.00 132.28 3mdg h PRO 206 Ca 0.48 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 66.31 3mdg h PRO 206 Cb 0.47 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.49 3mdg h PRO 206 CO -0.25 0.13 -1.87 0.41 -0.21 0.00 0.00 178.00 176.21 3mdg n GLY 207 N -1.60 -1.05 0.00 -0.55 0.00 -0.50 -4.69 105.19 96.80 3mdg n GLY 207 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3mdg n GLY 207 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mdg n TYR 208 N -2.86 0.00 0.00 1.61 4.01 -0.35 -4.85 117.16 114.72 3mdg n TYR 208 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 3mdg n TYR 208 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 3mdg n TYR 208 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mdg n GLY 209 N 0.34 -0.17 0.20 2.72 0.00 0.30 -4.13 105.19 104.45 3mdg n GLY 209 Ca 0.00 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.24 3mdg n GLY 209 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mdg h PRO 210 N 0.00 0.00 0.00 1.61 0.13 -1.94 -3.05 132.00 128.75 3mdg h PRO 210 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 3mdg h PRO 210 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3mdg h PRO 210 CO 0.00 0.21 -0.50 0.82 -0.23 0.00 0.00 178.00 178.31 3mdg h ILE 211 N 0.00 1.13 -0.24 -3.56 2.04 -1.97 -3.32 117.51 111.59 3mdg h ILE 211 Ca -0.00 -2.02 -0.13 0.00 1.00 0.00 0.00 64.86 63.70 3mdg h ILE 211 Cb 1.07 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 39.45 3mdg h ILE 211 CO 0.03 0.38 -0.39 0.40 0.00 0.00 0.00 178.15 178.57 3mdg h ILE 212 N -1.00 1.30 0.00 -0.67 2.04 -1.72 -2.97 117.51 114.48 3mdg h ILE 212 Ca -0.13 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.19 3mdg h ILE 212 Cb 0.96 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3mdg h ILE 212 CO -0.08 0.49 0.00 -1.54 0.00 0.00 0.00 178.15 177.02 3mdg n SER 213 N -4.04 0.00 -0.24 1.72 3.41 -1.15 -2.16 113.62 111.16 3mdg n SER 213 Ca -0.02 0.10 0.02 0.00 -0.26 0.00 0.00 58.87 58.72 3mdg n SER 213 Cb 0.51 -0.31 0.06 0.00 -0.26 0.00 0.00 64.21 64.21 3mdg n SER 213 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mdg n SER 214 N -1.31 2.36 -0.07 4.04 3.41 -1.13 -3.89 113.62 117.04 3mdg n SER 214 Ca 0.07 -2.04 0.09 0.00 -0.26 0.00 0.00 58.87 56.73 3mdg n SER 214 Cb 0.14 -0.10 0.45 0.00 -0.26 0.00 0.00 64.21 64.45 3mdg n SER 214 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3mdg h LEU 215 N 0.74 0.44 -0.38 1.04 3.38 -1.45 -2.18 115.31 116.91 3mdg h LEU 215 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3mdg h LEU 215 Cb 0.61 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3mdg h LEU 215 CO 0.00 0.29 0.17 -0.65 0.09 0.00 0.00 178.44 178.34 3mdg h PRO 216 N 0.50 0.34 -0.49 1.13 0.11 -1.80 -0.07 132.00 131.73 3mdg h PRO 216 Ca 0.24 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 3mdg h PRO 216 Cb 0.30 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 3mdg h PRO 216 CO -0.07 0.23 0.25 1.96 -0.21 0.00 0.00 178.00 180.16 3mdg h GLN 217 N 0.35 0.69 0.00 1.05 7.50 -1.82 -2.48 115.11 120.40 3mdg h GLN 217 Ca 0.16 -0.09 -0.01 0.00 0.50 0.00 0.00 58.65 59.21 3mdg h GLN 217 Cb 0.09 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.49 3mdg h GLN 217 CO -0.13 0.56 -0.06 -0.07 -1.50 0.00 0.00 178.83 177.63 3mdg h LEU 218 N 0.65 0.00 -0.72 1.46 3.38 -1.06 -2.62 115.31 116.39 3mdg h LEU 218 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3mdg h LEU 218 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3mdg h LEU 218 CO -0.02 0.06 -0.59 0.18 0.09 0.00 0.00 178.44 178.15 3mdg n LEU 219 N -3.43 1.70 0.24 1.67 4.77 -0.07 -4.52 117.00 117.36 3mdg n LEU 219 Ca -0.02 -0.69 0.11 0.00 -0.03 0.00 0.00 56.01 55.38 3mdg n LEU 219 Cb 0.20 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.88 3mdg n LEU 219 CO 0.27 0.33 0.89 0.77 -1.33 0.00 0.00 177.39 178.32 3mdg h SER 220 N 1.71 0.00 0.99 -1.43 4.64 -1.06 -2.77 113.55 115.63 3mdg h SER 220 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3mdg h SER 220 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3mdg h SER 220 CO 0.00 0.18 -0.29 0.08 -0.87 0.00 0.00 176.83 175.93 3mdg h ARG 221 N 0.00 0.00 -6.77 4.77 0.11 -1.79 -3.45 114.38 107.24 3mdg h ARG 221 Ca -0.00 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.58 3mdg h ARG 221 Cb 0.53 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.61 3mdg h ARG 221 CO 0.02 0.29 0.44 -0.06 0.10 0.00 0.00 179.97 180.76 3mdg s PHE 222 N -3.56 3.69 -0.60 4.08 0.08 -1.05 -4.63 117.98 115.99 3mdg s PHE 222 Ca 0.01 1.74 -0.23 0.00 0.12 0.00 0.00 56.93 58.57 3mdg s PHE 222 Cb 0.10 -3.20 0.05 0.00 -0.57 0.00 0.00 43.02 39.40 3mdg s PHE 222 CO 0.66 -0.29 0.94 1.21 -0.10 0.00 0.00 175.22 177.64 3mdg s ASN 223 N -0.85 6.25 -0.14 1.36 3.04 -0.11 -4.98 114.94 119.51 3mdg s ASN 223 Ca 0.44 -0.67 -0.22 0.00 0.04 0.00 0.00 52.86 52.45 3mdg s ASN 223 Cb -0.30 -2.42 -0.03 0.00 -1.54 0.00 0.00 41.25 36.96 3mdg s ASN 223 CO 0.38 -1.32 0.67 -0.36 -3.04 0.00 0.00 177.10 173.43 3mdg s PHE 224 N 3.98 3.46 -0.24 0.43 0.08 -1.26 -1.16 117.98 123.28 3mdg s PHE 224 Ca 0.26 1.09 -0.10 0.00 0.12 0.00 0.00 56.93 58.30 3mdg s PHE 224 Cb -0.15 -2.82 -0.05 0.00 -0.57 0.00 0.00 43.02 39.44 3mdg s PHE 224 CO 0.15 -0.07 0.15 0.42 -0.10 0.00 0.00 175.22 175.76 3mdg s ILE 225 N 1.47 5.22 -1.24 0.64 -1.09 0.06 -4.96 121.20 121.30 3mdg s ILE 225 Ca 0.33 0.13 -0.17 0.00 -2.23 0.00 0.00 60.65 58.72 3mdg s ILE 225 Cb -0.16 -3.43 0.11 0.00 -1.58 0.00 0.00 42.46 37.39 3mdg s ILE 225 CO 0.13 0.34 1.59 -0.31 -1.23 0.00 0.00 174.94 175.46 3mdg s TYR 226 N 1.11 3.07 0.00 3.97 2.02 -1.26 -1.02 117.35 125.24 3mdg s TYR 226 Ca 0.07 -1.79 0.00 0.00 -0.37 0.00 0.00 57.07 54.98 3mdg s TYR 226 Cb -0.14 -4.56 0.00 0.00 -0.40 0.00 0.00 41.96 36.86 3mdg s TYR 226 CO 0.05 -1.64 0.00 0.09 -1.57 0.00 0.00 175.55 172.48