#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mdp n SER 3 N 0.00 4.54 0.15 4.38 7.64 -1.26 -4.89 113.62 124.18 3mdp n SER 3 Ca 0.00 -3.44 0.08 0.00 1.01 0.00 0.00 58.87 56.52 3mdp n SER 3 Cb 0.00 -0.84 0.42 0.00 -1.01 0.00 0.00 64.21 62.78 3mdp n SER 3 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3mdp n PRO 4 N 0.97 0.10 0.07 1.43 -0.04 -1.26 -1.99 135.00 134.29 3mdp n PRO 4 Ca 0.29 0.58 0.13 0.00 -0.04 0.00 0.00 63.50 64.47 3mdp n PRO 4 Cb 0.39 -2.00 0.62 0.00 -0.04 0.00 0.00 33.50 32.47 3mdp n PRO 4 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3mdp h GLU 5 N 0.00 0.11 -0.09 0.54 4.39 -1.95 -2.53 114.58 115.05 3mdp h GLU 5 Ca 0.00 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 3mdp h GLU 5 Cb 0.32 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3mdp h GLU 5 CO 0.00 0.07 -0.26 0.00 -1.16 0.00 0.00 179.01 177.66 3mdp h ARG 6 N 0.11 0.15 -0.16 2.33 3.08 -1.83 -2.75 114.38 115.31 3mdp h ARG 6 Ca 0.16 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3mdp h ARG 6 Cb 0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3mdp h ARG 6 CO -0.02 0.41 0.03 -0.07 -1.07 0.00 0.00 179.97 179.26 3mdp h LEU 7 N 0.14 0.20 -2.57 3.04 3.38 -1.71 -3.14 115.31 114.65 3mdp h LEU 7 Ca 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mdp h LEU 7 Cb 0.55 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3mdp h LEU 7 CO 0.04 0.22 -0.01 0.03 0.09 0.00 0.00 178.44 178.81 3mdp h ARG 8 N 0.23 0.00 0.00 1.13 3.08 -1.54 -1.36 114.38 115.92 3mdp h ARG 8 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3mdp h ARG 8 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3mdp h ARG 8 CO -0.00 0.01 0.00 1.33 -1.07 0.00 0.00 179.97 180.23 3mdp n VAL 9 N -3.64 0.68 -3.96 2.04 0.24 -1.19 -3.93 118.33 108.57 3mdp n VAL 9 Ca -0.03 0.14 -0.35 0.00 -2.04 0.00 0.00 64.34 62.06 3mdp n VAL 9 Cb 0.09 -0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 31.54 3mdp n VAL 9 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3mdp s TYR 10 N -3.06 3.49 0.21 6.34 2.02 -0.51 -4.97 117.35 120.87 3mdp s TYR 10 Ca 0.09 0.37 -0.10 0.00 -0.37 0.00 0.00 57.07 57.07 3mdp s TYR 10 Cb 0.12 -1.85 0.27 0.00 -0.40 0.00 0.00 41.96 40.11 3mdp s TYR 10 CO 0.38 0.65 1.75 -0.09 -1.57 0.00 0.00 175.55 176.67 3mdp h ARG 11 N 4.33 0.40 -0.35 -0.62 2.43 -1.86 -0.13 114.38 118.58 3mdp h ARG 11 Ca -0.51 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 58.66 3mdp h ARG 11 Cb 1.20 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 3mdp h ARG 11 CO 0.63 0.27 0.23 0.35 -1.51 0.00 0.00 179.97 179.94 3mdp h PHE 12 N 0.42 0.36 0.00 2.20 3.57 -1.92 -3.08 116.94 118.49 3mdp h PHE 12 Ca 0.30 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.81 3mdp h PHE 12 Cb 0.36 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3mdp h PHE 12 CO -0.16 0.21 -1.34 1.19 -2.23 0.00 0.00 178.31 175.99 3mdp n PHE 13 N -4.49 0.00 0.19 0.41 3.72 -0.53 -4.64 117.46 112.13 3mdp n PHE 13 Ca 0.03 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.54 3mdp n PHE 13 Cb 0.14 -0.21 0.65 0.00 -0.94 0.00 0.00 39.48 39.12 3mdp n PHE 13 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mdp h ALA 14 N 1.97 2.13 -0.00 4.37 0.00 -0.97 -2.29 119.26 124.47 3mdp h ALA 14 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mdp h ALA 14 Cb 0.61 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3mdp h ALA 14 CO 0.00 -0.18 -0.37 -1.13 0.00 0.00 0.00 179.25 177.57 3mdp n SER 15 N -4.49 0.40 -4.79 0.00 3.41 -1.26 -4.96 113.62 101.92 3mdp n SER 15 Ca 0.00 -0.10 -0.35 0.00 -0.26 0.00 0.00 58.87 58.16 3mdp n SER 15 Cb 0.23 0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 3mdp n SER 15 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mdp s LEU 16 N -2.98 3.89 0.93 1.04 1.43 -0.86 -5.04 118.68 117.08 3mdp s LEU 16 Ca 0.12 2.05 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 3mdp s LEU 16 Cb 0.18 -4.47 0.15 0.00 0.03 0.00 0.00 46.19 42.07 3mdp s LEU 16 CO 0.65 -0.86 1.09 0.42 0.23 0.00 0.00 176.35 177.88 3mdp s THR 17 N -1.83 2.54 0.22 5.49 -4.23 -1.26 -4.82 115.64 111.76 3mdp s THR 17 Ca 0.67 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 61.27 3mdp s THR 17 Cb -0.20 -2.55 0.19 0.00 1.34 0.00 0.00 72.50 71.28 3mdp s THR 17 CO 0.24 -0.23 1.86 0.44 -0.54 0.00 0.00 174.62 176.40 3mdp h ASP 18 N -1.70 1.01 -0.43 3.99 3.32 -1.99 -0.83 116.42 119.79 3mdp h ASP 18 Ca -0.50 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.45 3mdp h ASP 18 Cb 1.28 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 3mdp h ASP 18 CO 0.52 0.79 0.15 -0.08 -1.72 0.00 0.00 179.24 178.90 3mdp h GLU 19 N 1.15 0.65 -0.97 3.56 4.81 -1.99 -1.83 114.58 119.96 3mdp h GLU 19 Ca 0.30 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 3mdp h GLU 19 Cb -0.03 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 3mdp h GLU 19 CO -0.06 0.63 0.64 1.96 -0.73 0.00 0.00 179.01 181.45 3mdp h GLN 20 N 0.55 1.24 -0.33 1.92 4.20 -1.80 -0.09 115.11 120.80 3mdp h GLN 20 Ca 0.14 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 3mdp h GLN 20 Cb 0.23 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3mdp h GLN 20 CO -0.01 0.82 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.80 3mdp h LEU 21 N 1.28 0.66 -0.63 1.46 3.38 -0.87 -0.41 115.31 120.17 3mdp h LEU 21 Ca 0.36 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3mdp h LEU 21 Cb -0.10 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 3mdp h LEU 21 CO -0.09 0.89 0.36 0.11 0.09 0.00 0.00 178.44 179.79 3mdp h LYS 22 N 0.42 0.66 -0.30 1.13 1.79 -1.12 0.11 116.57 119.26 3mdp h LYS 22 Ca 0.08 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 3mdp h LYS 22 Cb 0.62 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 3mdp h LYS 22 CO 0.04 0.44 0.16 -0.44 -1.08 0.00 0.00 179.45 178.56 3mdp h ASP 23 N 0.68 0.38 -0.58 0.86 3.32 -0.78 -2.13 116.42 118.16 3mdp h ASP 23 Ca 0.27 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 3mdp h ASP 23 Cb 0.12 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3mdp h ASP 23 CO -0.15 0.37 0.03 0.40 -1.72 0.00 0.00 179.24 178.17 3mdp h ILE 24 N 0.36 1.26 -0.97 0.35 2.04 -0.82 -2.78 117.51 116.96 3mdp h ILE 24 Ca 0.10 -1.09 0.12 0.00 1.00 0.00 0.00 64.86 65.00 3mdp h ILE 24 Cb 0.08 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 3mdp h ILE 24 CO -0.02 0.40 0.62 0.00 0.00 0.00 0.00 178.15 179.15 3mdp h ALA 25 N 0.98 1.60 -0.30 1.87 0.00 -0.65 -1.78 119.26 120.98 3mdp h ALA 25 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3mdp h ALA 25 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3mdp h ALA 25 CO 0.02 0.16 0.14 1.25 0.00 0.00 0.00 179.25 180.82 3mdp h LEU 26 N 0.92 0.36 -3.63 0.00 5.85 -1.09 -1.80 115.31 115.92 3mdp h LEU 26 Ca 0.48 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 59.03 3mdp h LEU 26 Cb 0.53 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 3mdp h LEU 26 CO -0.24 0.32 0.16 2.30 -0.34 0.00 0.00 178.44 180.63 3mdp n ILE 27 N -4.43 2.81 -4.34 4.05 -5.35 -0.69 -4.96 119.36 106.45 3mdp n ILE 27 Ca 0.01 -1.68 -0.22 0.00 -0.27 0.00 0.00 62.75 60.59 3mdp n ILE 27 Cb 0.12 -0.33 -0.11 0.00 -1.74 0.00 0.00 39.64 37.58 3mdp n ILE 27 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3mdp s SER 28 N -1.17 2.78 -0.11 7.28 0.01 -0.68 -1.55 113.70 120.27 3mdp s SER 28 Ca 0.53 -0.86 -0.11 0.00 1.31 0.00 0.00 55.95 56.82 3mdp s SER 28 Cb 0.42 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.51 3mdp s SER 28 CO 0.13 -0.01 0.31 -0.70 0.41 0.00 0.00 173.24 173.37 3mdp s GLU 29 N -2.78 0.39 0.21 12.44 2.12 -0.11 -4.52 118.70 126.46 3mdp s GLU 29 Ca 0.16 0.36 -0.30 0.00 0.36 0.00 0.00 54.97 55.56 3mdp s GLU 29 Cb -0.06 0.19 -0.08 0.00 0.26 0.00 0.00 34.13 34.43 3mdp s GLU 29 CO 0.07 -0.06 1.06 -2.00 -0.54 0.00 0.00 175.26 173.79 3mdp s GLU 30 N 0.01 4.67 -0.16 4.30 2.12 -1.26 -0.35 118.70 128.02 3mdp s GLU 30 Ca -0.01 1.67 -0.14 0.00 0.36 0.00 0.00 54.97 56.85 3mdp s GLU 30 Cb -0.03 -3.26 0.04 0.00 0.26 0.00 0.00 34.13 31.15 3mdp s GLU 30 CO 0.01 0.21 0.42 0.21 -0.54 0.00 0.00 175.26 175.57 3mdp s LYS 31 N -0.80 0.48 0.03 4.30 2.20 -0.27 -4.92 119.74 120.76 3mdp s LYS 31 Ca 0.46 0.61 0.02 0.00 -0.36 0.00 0.00 55.97 56.69 3mdp s LYS 31 Cb -0.29 0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.21 3mdp s LYS 31 CO 0.36 -0.07 0.04 -1.12 -0.36 0.00 0.00 175.35 174.20 3mdp s SER 32 N 0.34 5.37 -0.01 1.43 0.01 -1.26 -1.22 113.70 118.36 3mdp s SER 32 Ca -0.01 0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.29 3mdp s SER 32 Cb -0.03 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.75 3mdp s SER 32 CO -0.01 0.24 -0.06 -0.36 0.41 0.00 0.00 173.24 173.47 3mdp s PHE 33 N -1.21 0.59 0.59 2.43 0.40 0.12 -5.00 117.98 115.90 3mdp s PHE 33 Ca 0.23 -0.12 -0.12 0.00 -0.60 0.00 0.00 56.93 56.33 3mdp s PHE 33 Cb -0.12 -0.43 -0.05 0.00 0.51 0.00 0.00 43.02 42.94 3mdp s PHE 33 CO 0.15 -0.05 1.00 -1.25 0.70 0.00 0.00 175.22 175.77 3mdp s PRO 34 N 0.14 3.66 0.01 0.24 0.04 -1.26 -0.83 135.00 136.99 3mdp s PRO 34 Ca -0.01 0.74 -0.37 0.00 0.04 0.00 0.00 61.00 61.40 3mdp s PRO 34 Cb -0.06 -2.12 -0.16 0.00 0.04 0.00 0.00 34.50 32.21 3mdp s PRO 34 CO -0.00 -0.48 1.45 2.41 0.04 0.00 0.00 177.00 180.42 3mdp n THR 35 N -2.49 0.08 -0.22 1.26 -1.04 -1.25 -1.70 114.28 108.91 3mdp n THR 35 Ca 0.06 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3mdp n THR 35 Cb 0.54 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 3mdp n THR 35 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mdp n GLY 36 N 2.97 1.17 3.78 3.41 0.00 0.19 -5.00 105.19 111.70 3mdp n GLY 36 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3mdp n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mdp s SER 37 N -3.00 6.71 -0.48 1.61 1.04 -0.69 -4.80 113.70 114.09 3mdp s SER 37 Ca 0.00 2.14 -0.22 0.00 0.48 0.00 0.00 55.95 58.35 3mdp s SER 37 Cb 0.00 -2.60 0.03 0.00 0.10 0.00 0.00 66.02 63.56 3mdp s SER 37 CO 0.00 -0.53 0.77 -0.69 0.98 0.00 0.00 173.24 173.77 3mdp s VAL 38 N -1.55 4.66 0.04 5.02 1.01 -1.26 -1.88 120.40 126.44 3mdp s VAL 38 Ca 0.57 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.57 3mdp s VAL 38 Cb -0.25 -4.34 -0.15 0.00 0.00 0.00 0.00 36.38 31.64 3mdp s VAL 38 CO 0.31 -0.79 1.30 0.40 0.00 0.00 0.00 175.10 176.33 3mdp h ILE 39 N 5.95 1.36 -3.42 2.22 2.04 -0.84 -3.46 117.51 121.36 3mdp h ILE 39 Ca -0.25 -1.53 -0.05 0.00 1.00 0.00 0.00 64.86 64.03 3mdp h ILE 39 Cb 1.09 1.98 -0.12 0.00 -0.74 0.00 0.00 36.82 39.02 3mdp h ILE 39 CO 0.97 0.46 -0.08 0.72 0.00 0.00 0.00 178.15 180.22 3mdp s PHE 40 N -4.05 -0.13 -0.05 1.37 -0.12 -1.20 -5.00 117.98 108.80 3mdp s PHE 40 Ca -0.14 -0.20 0.03 0.00 -0.05 0.00 0.00 56.93 56.57 3mdp s PHE 40 Cb 0.06 0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 42.67 3mdp s PHE 40 CO 0.79 -0.75 -0.12 0.15 -0.05 0.00 0.00 175.22 175.25 3mdp s LYS 41 N -3.83 2.58 0.22 1.99 1.02 -1.26 -1.17 119.74 119.28 3mdp s LYS 41 Ca 0.05 -0.65 -0.30 0.00 0.02 0.00 0.00 55.97 55.09 3mdp s LYS 41 Cb 0.01 -2.45 -0.15 0.00 -0.52 0.00 0.00 37.83 34.72 3mdp s LYS 41 CO -0.09 0.64 1.02 -1.91 -0.92 0.00 0.00 175.35 174.08 3mdp n GLU 42 N 2.24 1.06 -0.28 1.68 2.13 -1.20 -2.00 120.64 124.27 3mdp n GLU 42 Ca -0.17 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.02 3mdp n GLU 42 Cb 0.52 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.48 3mdp n GLU 42 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3mdp n ASN 43 N 1.68 0.00 -4.81 4.31 3.02 0.20 -4.94 115.26 114.72 3mdp n ASN 43 Ca 0.13 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.35 3mdp n ASN 43 Cb 0.27 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 3mdp n ASN 43 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3mdp s SER 44 N -3.67 6.24 0.16 6.41 0.01 -0.85 -4.70 113.70 117.31 3mdp s SER 44 Ca 0.00 1.79 -0.33 0.00 1.31 0.00 0.00 55.95 58.72 3mdp s SER 44 Cb 0.00 -2.54 -0.13 0.00 0.21 0.00 0.00 66.02 63.56 3mdp s SER 44 CO 0.00 -0.85 1.63 1.17 0.41 0.00 0.00 173.24 175.61 3mdp n LYS 45 N -1.46 2.31 -2.69 12.44 3.00 -1.26 -1.03 118.16 129.47 3mdp n LYS 45 Ca 0.08 0.83 -0.43 0.00 -0.00 0.00 0.00 58.31 58.80 3mdp n LYS 45 Cb 0.53 -2.63 -0.01 0.00 0.00 0.00 0.00 35.03 32.92 3mdp n LYS 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3mdp s ALA 46 N 1.19 3.37 -2.53 3.14 0.00 0.64 -4.74 121.76 122.83 3mdp s ALA 46 Ca 0.79 -2.89 0.24 0.00 0.00 0.00 0.00 51.96 50.10 3mdp s ALA 46 Cb -0.64 -4.46 0.41 0.00 0.00 0.00 0.00 23.12 18.44 3mdp s ALA 46 CO 0.37 -3.21 1.40 -0.25 0.00 0.00 0.00 175.76 174.07 3mdp n ASP 47 N 7.70 3.46 -3.69 0.00 8.00 -1.26 -4.17 116.55 126.59 3mdp n ASP 47 Ca 0.41 -2.00 -0.19 0.00 0.71 0.00 0.00 54.79 53.72 3mdp n ASP 47 Cb 0.46 -0.23 -0.18 0.00 -0.02 0.00 0.00 41.12 41.16 3mdp n ASP 47 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3mdp s ASN 48 N -1.53 0.95 0.54 -2.24 -0.87 -1.26 -0.45 114.94 110.08 3mdp s ASN 48 Ca 0.38 0.07 0.09 0.00 -1.57 0.00 0.00 52.86 51.83 3mdp s ASN 48 Cb 0.23 -0.14 0.06 0.00 -0.02 0.00 0.00 41.25 41.39 3mdp s ASN 48 CO 0.32 -0.23 0.68 -0.22 -2.57 0.00 0.00 177.10 175.08 3mdp s LEU 49 N 1.96 3.12 -0.28 0.60 2.96 -0.45 -4.65 118.68 121.94 3mdp s LEU 49 Ca 0.02 -0.85 -0.11 0.00 -0.22 0.00 0.00 54.13 52.97 3mdp s LEU 49 Cb -0.12 -1.71 0.11 0.00 0.50 0.00 0.00 46.19 44.96 3mdp s LEU 49 CO -0.03 -1.20 0.62 -0.22 -1.32 0.00 0.00 176.35 174.20 3mdp s LEU 51 N -4.54 -0.98 -0.23 -0.68 2.96 -0.28 -0.31 118.68 114.62 3mdp s LEU 51 Ca 0.56 1.45 -0.29 0.00 -0.22 0.00 0.00 54.13 55.63 3mdp s LEU 51 Cb -0.06 2.16 0.00 0.00 0.50 0.00 0.00 46.19 48.80 3mdp s LEU 51 CO 0.35 -0.23 1.12 -0.22 -1.32 0.00 0.00 176.35 176.06 3mdp s LEU 52 N 2.47 4.08 -0.15 -0.68 2.96 -0.50 -1.16 118.68 125.70 3mdp s LEU 52 Ca -0.07 1.40 0.03 0.00 -0.22 0.00 0.00 54.13 55.27 3mdp s LEU 52 Cb -0.10 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.82 3mdp s LEU 52 CO -0.18 -0.76 0.22 0.18 -1.32 0.00 0.00 176.35 174.49 3mdp n LEU 53 N 6.57 1.99 -3.67 -0.68 4.77 0.62 -0.14 117.00 126.47 3mdp n LEU 53 Ca 0.13 0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 3mdp n LEU 53 Cb 0.46 -0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 40.90 3mdp n LEU 53 CO 0.55 0.73 0.25 -0.70 -1.33 0.00 0.00 177.39 176.89 3mdp s GLU 54 N -2.55 0.72 0.47 3.23 2.12 -0.97 -4.72 118.70 117.02 3mdp s GLU 54 Ca -0.20 0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.66 3mdp s GLU 54 Cb 0.07 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.81 3mdp s GLU 54 CO 0.74 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.73 3mdp n GLY 55 N 2.22 0.42 3.31 -1.50 0.00 -1.24 -1.68 105.19 106.72 3mdp n GLY 55 Ca -0.16 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 3mdp n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mdp s GLY 56 N 0.00 -0.33 -0.05 -0.02 0.00 -1.26 -4.26 107.32 101.41 3mdp s GLY 56 Ca 0.00 1.30 0.01 0.00 0.00 0.00 0.00 44.72 46.03 3mdp s GLY 56 CO 0.00 1.21 -0.05 0.14 0.00 0.00 0.00 173.10 174.40 3mdp s VAL 57 N 0.53 0.59 -0.08 1.40 1.01 -0.99 -0.68 120.40 122.17 3mdp s VAL 57 Ca -0.02 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3mdp s VAL 57 Cb -0.04 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 3mdp s VAL 57 CO -0.03 0.24 -0.08 -1.83 0.00 0.00 0.00 175.10 173.40 3mdp s GLU 58 N 0.97 2.90 -0.17 2.72 -1.05 -0.12 0.71 118.70 124.67 3mdp s GLU 58 Ca -0.10 -0.58 -0.12 0.00 -0.15 0.00 0.00 54.97 54.02 3mdp s GLU 58 Cb -0.14 -2.60 -0.05 0.00 -0.44 0.00 0.00 34.13 30.90 3mdp s GLU 58 CO -0.00 0.55 0.21 -0.51 0.95 0.00 0.00 175.26 176.46 3mdp s LEU 59 N -0.51 4.25 0.21 1.83 1.43 0.57 -1.48 118.68 124.98 3mdp s LEU 59 Ca 0.07 0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 53.44 3mdp s LEU 59 Cb -0.12 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.88 3mdp s LEU 59 CO 0.02 0.17 0.42 0.72 0.23 0.00 0.00 176.35 177.90 3mdp s PHE 60 N 0.25 0.29 -0.14 0.29 -0.71 -0.02 0.52 117.98 118.46 3mdp s PHE 60 Ca 0.13 -0.64 -0.06 0.00 -1.04 0.00 0.00 56.93 55.31 3mdp s PHE 60 Cb -0.12 0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 3mdp s PHE 60 CO 0.01 -0.88 0.09 0.71 -1.34 0.00 0.00 175.22 173.82 3mdp s TYR 61 N -3.97 3.41 -0.98 3.49 2.02 -1.26 -0.43 117.35 119.63 3mdp s TYR 61 Ca 0.18 0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 57.20 3mdp s TYR 61 Cb 0.01 -1.96 0.29 0.00 -0.40 0.00 0.00 41.96 39.89 3mdp s TYR 61 CO 0.04 0.51 1.26 0.45 -1.57 0.00 0.00 175.55 176.24 3mdp n SER 62 N 2.52 5.68 -1.59 2.29 2.88 -1.26 -4.82 113.62 119.31 3mdp n SER 62 Ca -0.19 -3.37 0.00 0.00 -1.33 0.00 0.00 58.87 53.98 3mdp n SER 62 Cb 0.54 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 3mdp n SER 62 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3mdp n SER 72 N 1.39 -3.82 -4.76 -3.46 7.64 -1.26 -5.24 113.62 104.11 3mdp n SER 72 Ca 0.26 1.02 -0.40 0.00 1.01 0.00 0.00 58.87 60.77 3mdp n SER 72 Cb 0.35 -3.01 -0.04 0.00 -1.01 0.00 0.00 64.21 60.50 3mdp n SER 72 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3mdp s THR 73 N -1.83 3.54 -0.25 0.44 2.01 -1.26 -4.51 115.64 113.77 3mdp s THR 73 Ca 0.00 1.47 0.02 0.00 0.31 0.00 0.00 61.69 63.49 3mdp s THR 73 Cb 0.00 -3.91 -0.16 0.00 0.01 0.00 0.00 72.50 68.44 3mdp s THR 73 CO 0.00 0.29 -0.22 0.52 -0.69 0.00 0.00 174.62 174.52 3mdp n VAL 74 N 0.94 1.44 -3.62 3.82 0.31 0.18 -4.93 118.33 116.47 3mdp n VAL 74 Ca 0.00 -0.55 -0.08 0.00 -0.01 0.00 0.00 64.34 63.70 3mdp n VAL 74 Cb 0.46 -1.39 -0.06 0.00 -0.91 0.00 0.00 33.84 31.93 3mdp n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mdp s SER 76 N -0.27 4.62 -0.11 0.00 0.01 -1.26 -0.31 113.70 116.38 3mdp s SER 76 Ca 0.03 -0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.17 3mdp s SER 76 Cb -0.03 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.69 3mdp s SER 76 CO -0.06 0.26 -0.04 -0.69 0.41 0.00 0.00 173.24 173.12 3mdp s VAL 77 N -0.18 3.95 0.31 3.43 1.01 0.22 -5.00 120.40 124.14 3mdp s VAL 77 Ca 0.02 -0.37 0.10 0.00 0.00 0.00 0.00 61.98 61.74 3mdp s VAL 77 Cb -0.13 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 3mdp s VAL 77 CO 0.03 0.56 -0.04 0.68 0.00 0.00 0.00 175.10 176.32 3mdp s VAL 78 N -0.33 2.73 0.34 2.92 -7.23 -1.26 -2.36 120.40 115.21 3mdp s VAL 78 Ca 0.06 -2.07 -0.27 0.00 -1.81 0.00 0.00 61.98 57.88 3mdp s VAL 78 Cb -0.12 -2.69 -0.13 0.00 0.56 0.00 0.00 36.38 34.00 3mdp s VAL 78 CO 0.02 -0.28 1.12 -2.65 -0.31 0.00 0.00 175.10 173.00 3mdp n PRO 79 N -0.86 1.65 0.00 4.82 -0.02 -1.26 -2.44 135.00 136.89 3mdp n PRO 79 Ca -0.05 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3mdp n PRO 79 Cb 0.61 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3mdp n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mdp n GLY 80 N 1.04 0.63 3.79 -1.23 0.00 0.80 -5.00 105.19 105.22 3mdp n GLY 80 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3mdp n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mdp s ALA 81 N -2.16 3.61 0.25 4.61 0.00 -1.02 -4.49 121.76 122.56 3mdp s ALA 81 Ca 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 3mdp s ALA 81 Cb 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.60 3mdp s ALA 81 CO 0.00 0.72 0.49 0.96 0.00 0.00 0.00 175.76 177.94 3mdp s ILE 82 N -1.45 5.09 0.22 0.00 -4.36 -1.26 -1.42 121.20 118.02 3mdp s ILE 82 Ca 0.30 -0.07 -0.12 0.00 -0.26 0.00 0.00 60.65 60.51 3mdp s ILE 82 Cb -0.12 -3.72 -0.00 0.00 1.25 0.00 0.00 42.46 39.86 3mdp s ILE 82 CO 0.23 -0.24 0.41 0.72 0.24 0.00 0.00 174.94 176.29 3mdp s PHE 83 N -1.98 0.38 -0.44 1.37 -0.71 -1.26 -4.88 117.98 110.45 3mdp s PHE 83 Ca 0.42 -0.72 -0.00 0.00 -1.04 0.00 0.00 56.93 55.58 3mdp s PHE 83 Cb -0.11 0.10 0.00 0.00 -1.21 0.00 0.00 43.02 41.80 3mdp s PHE 83 CO 0.29 -0.89 0.03 0.41 -1.34 0.00 0.00 175.22 173.71 3mdp n GLY 84 N -0.33 0.19 0.27 1.99 0.00 -1.26 -4.66 105.19 101.39 3mdp n GLY 84 Ca -0.04 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.47 3mdp n GLY 84 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3mdp h VAL 85 N -0.06 0.60 0.00 1.61 -1.51 -1.89 -1.62 116.25 113.37 3mdp h VAL 85 Ca -0.13 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 3mdp h VAL 85 Cb 1.09 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 3mdp h VAL 85 CO 0.15 0.09 0.00 -1.20 -1.23 0.00 0.00 177.57 175.38 3mdp n SER 86 N -3.75 0.13 -0.36 4.19 7.64 -1.26 -1.14 113.62 119.08 3mdp n SER 86 Ca -0.02 0.55 0.30 0.00 1.01 0.00 0.00 58.87 60.71 3mdp n SER 86 Cb 0.19 -0.57 0.61 0.00 -1.01 0.00 0.00 64.21 63.43 3mdp n SER 86 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3mdp h SER 87 N 0.00 0.27 -0.08 6.43 0.02 -1.45 -2.64 113.55 116.09 3mdp h SER 87 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3mdp h SER 87 Cb 0.10 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3mdp h SER 87 CO 0.00 0.01 0.00 0.18 -1.14 0.00 0.00 176.83 175.88 3mdp n LEU 88 N -4.49 1.96 -4.07 5.07 4.77 -0.29 -4.79 117.00 115.17 3mdp n LEU 88 Ca 0.28 -1.62 -0.32 0.00 -0.03 0.00 0.00 56.01 54.32 3mdp n LEU 88 Cb 1.12 -0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 42.01 3mdp n LEU 88 CO 0.29 0.47 -0.46 -0.63 -1.33 0.00 0.00 177.39 175.74 3mdp s ILE 89 N -0.75 2.13 0.22 -0.08 1.01 -1.00 -5.04 121.20 117.70 3mdp s ILE 89 Ca 0.07 -1.58 -0.29 0.00 0.00 0.00 0.00 60.65 58.85 3mdp s ILE 89 Cb 0.04 -2.23 -0.16 0.00 0.01 0.00 0.00 42.46 40.12 3mdp s ILE 89 CO 0.06 -0.00 0.82 0.29 0.00 0.00 0.00 174.94 176.11 3mdp n LYS 90 N 4.45 0.69 -0.82 2.79 5.02 -1.26 -0.81 118.16 128.22 3mdp n LYS 90 Ca -0.14 0.24 -0.13 0.00 -2.02 0.00 0.00 58.31 56.26 3mdp n LYS 90 Cb 0.43 -1.47 0.15 0.00 -0.02 0.00 0.00 35.03 34.11 3mdp n LYS 90 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3mdp n PRO 91 N 1.00 2.21 -3.06 1.97 -0.04 -1.26 -4.96 135.00 130.85 3mdp n PRO 91 Ca 0.14 -2.12 -0.17 0.00 -0.04 0.00 0.00 63.50 61.31 3mdp n PRO 91 Cb 0.27 -1.86 0.04 0.00 -0.04 0.00 0.00 33.50 31.91 3mdp n PRO 91 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3mdp n TYR 92 N -0.46 -1.78 -4.90 0.54 4.01 0.01 -4.97 117.16 109.61 3mdp n TYR 92 Ca 0.38 0.57 -0.26 0.00 -0.16 0.00 0.00 57.90 58.43 3mdp n TYR 92 Cb 1.25 -3.76 -0.16 0.00 -0.31 0.00 0.00 39.34 36.36 3mdp n TYR 92 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3mdp s HIS 93 N -3.12 1.71 0.27 -0.72 3.76 -1.26 -0.26 115.29 115.66 3mdp s HIS 93 Ca 0.33 -0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.57 3mdp s HIS 93 Cb -0.14 -1.11 -0.11 0.00 1.11 0.00 0.00 32.58 32.32 3mdp s HIS 93 CO 0.41 -0.07 1.62 0.71 -0.85 0.00 0.00 174.74 176.56 3mdp s TYR 94 N -0.32 2.80 -1.69 1.40 2.02 -0.20 -4.82 117.35 116.54 3mdp s TYR 94 Ca 0.04 0.68 0.25 0.00 -0.37 0.00 0.00 57.07 57.67 3mdp s TYR 94 Cb -0.08 -4.08 0.39 0.00 -0.40 0.00 0.00 41.96 37.79 3mdp s TYR 94 CO 0.00 -3.74 1.34 0.25 -1.57 0.00 0.00 175.55 171.83 3mdp n THR 95 N 2.63 0.00 -3.83 -0.71 -2.24 -1.26 -0.63 114.28 108.24 3mdp n THR 95 Ca 0.10 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.64 3mdp n THR 95 Cb 0.37 0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 69.25 3mdp n THR 95 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mdp s SER 96 N -2.60 -0.11 0.49 3.42 1.04 -1.26 -4.91 113.70 109.77 3mdp s SER 96 Ca 0.19 -0.65 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 3mdp s SER 96 Cb 0.18 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.79 3mdp s SER 96 CO 0.59 -0.96 0.77 -0.44 0.98 0.00 0.00 173.24 174.18 3mdp s SER 97 N -2.91 6.00 -0.05 7.02 0.01 0.43 -3.28 113.70 120.91 3mdp s SER 97 Ca 0.12 0.70 0.03 0.00 1.31 0.00 0.00 55.95 58.11 3mdp s SER 97 Cb 0.01 -1.94 0.01 0.00 0.21 0.00 0.00 66.02 64.31 3mdp s SER 97 CO -0.02 -0.71 -0.13 0.00 0.41 0.00 0.00 173.24 172.78 3mdp s ALA 98 N -2.74 1.27 0.04 1.44 0.00 -0.32 -0.84 121.76 120.61 3mdp s ALA 98 Ca 0.49 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.01 3mdp s ALA 98 Cb -0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 3mdp s ALA 98 CO 0.43 0.16 -0.11 -0.98 0.00 0.00 0.00 175.76 175.26 3mdp s ARG 99 N 0.42 0.70 0.06 0.00 1.70 -0.55 -0.05 118.95 121.24 3mdp s ARG 99 Ca -0.10 -0.72 -0.31 0.00 -0.47 0.00 0.00 55.73 54.13 3mdp s ARG 99 Cb -0.13 -0.62 -0.06 0.00 -0.57 0.00 0.00 34.95 33.57 3mdp s ARG 99 CO 0.03 0.14 1.20 0.00 -1.08 0.00 0.00 175.30 175.59 3mdp s ALA 100 N -1.02 3.39 -1.13 7.88 0.00 -0.79 -0.94 121.76 129.15 3mdp s ALA 100 Ca -0.03 0.84 0.17 0.00 0.00 0.00 0.00 51.96 52.94 3mdp s ALA 100 Cb -0.08 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 3mdp s ALA 100 CO 0.01 -0.43 0.79 0.25 0.00 0.00 0.00 175.76 176.38 3mdp n THR 101 N 3.92 0.00 -4.06 0.00 -2.24 0.15 -0.64 114.28 111.41 3mdp n THR 101 Ca 0.09 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 3mdp n THR 101 Cb 0.46 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.74 3mdp n THR 101 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3mdp s LYS 102 N -2.36 1.86 0.18 -0.78 1.02 -1.24 -4.85 119.74 113.57 3mdp s LYS 102 Ca 0.10 -1.66 -0.32 0.00 0.02 0.00 0.00 55.97 54.11 3mdp s LYS 102 Cb 0.13 0.45 -0.11 0.00 -0.52 0.00 0.00 37.83 37.79 3mdp s LYS 102 CO 0.59 -0.78 1.63 -2.14 -0.92 0.00 0.00 175.35 173.73 3mdp s PRO 103 N -3.16 4.18 -0.07 -1.68 0.02 -1.26 -3.87 135.00 129.16 3mdp s PRO 103 Ca 0.29 2.45 0.04 0.00 0.02 0.00 0.00 61.00 63.80 3mdp s PRO 103 Cb -0.01 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.36 3mdp s PRO 103 CO 0.18 -0.66 -0.18 0.08 -0.33 0.00 0.00 177.00 176.08 3mdp s VAL 104 N 1.20 2.67 -0.03 3.83 1.01 -0.01 -3.69 120.40 125.38 3mdp s VAL 104 Ca 0.72 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.92 3mdp s VAL 104 Cb -0.46 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3mdp s VAL 104 CO 0.32 0.57 -0.25 -0.13 0.00 0.00 0.00 175.10 175.61 3mdp s ARG 105 N -0.34 2.12 0.10 2.72 0.52 -0.68 -0.70 118.95 122.69 3mdp s ARG 105 Ca 0.02 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.38 3mdp s ARG 105 Cb -0.13 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 3mdp s ARG 105 CO 0.02 0.49 -0.08 0.14 0.02 0.00 0.00 175.30 175.89 3mdp s VAL 106 N -0.46 0.77 -0.27 3.52 -7.23 -0.35 -0.28 120.40 116.10 3mdp s VAL 106 Ca 0.06 -1.79 -0.22 0.00 -1.81 0.00 0.00 61.98 58.23 3mdp s VAL 106 Cb -0.11 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.32 3mdp s VAL 106 CO 0.00 -0.74 0.70 -0.69 -0.31 0.00 0.00 175.10 174.06 3mdp s VAL 107 N -3.09 4.90 -0.34 1.32 1.01 -0.31 -1.11 120.40 122.78 3mdp s VAL 107 Ca 0.08 1.17 -0.12 0.00 0.00 0.00 0.00 61.98 63.12 3mdp s VAL 107 Cb 0.02 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 3mdp s VAL 107 CO -0.03 -0.09 0.21 -0.62 0.00 0.00 0.00 175.10 174.58 3mdp s ASP 108 N 1.51 5.85 -0.13 3.32 2.15 0.52 -1.13 116.67 128.77 3mdp s ASP 108 Ca 0.29 -0.57 -0.04 0.00 0.43 0.00 0.00 52.55 52.66 3mdp s ASP 108 Cb -0.15 -2.08 -0.03 0.00 -0.30 0.00 0.00 42.92 40.36 3mdp s ASP 108 CO 0.10 -0.26 0.00 -0.63 -0.17 0.00 0.00 175.17 174.21 3mdp s ILE 109 N 1.66 4.29 -0.43 4.11 1.01 0.58 -0.94 121.20 131.48 3mdp s ILE 109 Ca 0.05 -0.23 -0.28 0.00 0.00 0.00 0.00 60.65 60.19 3mdp s ILE 109 Cb -0.18 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 3mdp s ILE 109 CO 0.09 0.54 1.74 0.21 0.00 0.00 0.00 174.94 177.52 3mdp s ASN 110 N -0.26 5.79 0.22 3.58 3.84 -0.60 -1.35 114.94 126.18 3mdp s ASN 110 Ca 0.06 0.92 -0.03 0.00 0.21 0.00 0.00 52.86 54.02 3mdp s ASN 110 Cb -0.12 -2.53 0.21 0.00 -0.55 0.00 0.00 41.25 38.26 3mdp s ASN 110 CO 0.02 -1.85 1.61 1.23 -2.79 0.00 0.00 177.10 175.32 3mdp h GLY 111 N 14.20 0.71 0.97 1.21 0.00 -1.06 -1.69 103.07 117.41 3mdp h GLY 111 Ca -0.30 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.39 3mdp h GLY 111 CO 1.10 0.60 0.51 0.00 0.00 0.00 0.00 176.54 178.74 3mdp h ALA 112 N 1.09 1.00 -0.60 3.60 0.00 -1.84 -0.52 119.26 121.98 3mdp h ALA 112 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3mdp h ALA 112 Cb 0.82 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3mdp h ALA 112 CO 0.07 0.37 0.14 0.00 0.00 0.00 0.00 179.25 179.83 3mdp h ARG 113 N 1.03 0.97 -0.83 0.00 2.47 -1.88 -2.16 114.38 113.98 3mdp h ARG 113 Ca 0.29 -0.24 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 3mdp h ARG 113 Cb -0.08 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.07 3mdp h ARG 113 CO -0.08 0.89 0.43 -0.07 0.56 0.00 0.00 179.97 181.71 3mdp h LEU 114 N 0.88 1.05 -0.67 3.04 3.38 -0.66 -2.23 115.31 120.10 3mdp h LEU 114 Ca 0.19 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3mdp h LEU 114 Cb 0.36 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3mdp h LEU 114 CO 0.00 0.86 0.34 0.03 0.09 0.00 0.00 178.44 179.76 3mdp h ARG 115 N 1.17 0.96 -0.11 1.13 3.08 -0.90 0.64 114.38 120.34 3mdp h ARG 115 Ca 0.29 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3mdp h ARG 115 Cb 0.06 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3mdp h ARG 115 CO -0.04 0.74 0.00 0.39 -1.07 0.00 0.00 179.97 179.99 3mdp n GLU 116 N -4.48 0.14 0.00 0.04 1.02 -0.83 -1.74 120.64 114.79 3mdp n GLU 116 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3mdp n GLU 116 Cb 0.11 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 3mdp n GLU 116 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3mdp n SER 118 N 0.21 0.00 -0.07 1.62 7.64 0.22 -1.01 113.62 122.22 3mdp n SER 118 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 3mdp n SER 118 Cb 0.03 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 3mdp n SER 118 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3mdp h GLU 119 N 0.00 0.87 0.00 1.43 5.08 -1.59 -3.33 114.58 117.04 3mdp h GLU 119 Ca 0.00 -0.58 -0.03 0.00 -1.00 0.00 0.00 59.36 57.75 3mdp h GLU 119 Cb 0.00 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3mdp h GLU 119 CO 0.00 1.21 -1.10 0.09 -1.00 0.00 0.00 179.01 178.21 3mdp n ASN 120 N -4.00 0.83 -3.89 1.42 3.02 -0.18 -4.60 115.26 107.86 3mdp n ASN 120 Ca -0.05 0.33 -0.30 0.00 -0.03 0.00 0.00 54.58 54.53 3mdp n ASN 120 Cb 0.65 0.44 -0.14 0.00 -0.61 0.00 0.00 39.78 40.11 3mdp n ASN 120 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3mdp s ASN 121 N -5.41 4.22 0.37 6.41 3.84 -1.25 -4.98 114.94 118.14 3mdp s ASN 121 Ca -0.01 -2.68 0.14 0.00 0.21 0.00 0.00 52.86 50.52 3mdp s ASN 121 Cb 0.09 -1.44 0.98 0.00 -0.55 0.00 0.00 41.25 40.33 3mdp s ASN 121 CO 0.80 -0.28 1.80 -0.61 -2.79 0.00 0.00 177.10 176.02 3mdp h GLN 122 N 6.86 0.50 -0.00 0.43 4.15 -1.81 -0.34 115.11 124.89 3mdp h GLN 122 Ca -0.06 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 3mdp h GLN 122 Cb 0.93 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.51 3mdp h GLN 122 CO 0.59 0.33 -0.00 0.00 -1.93 0.00 0.00 178.83 177.83 3mdp h ALA 123 N 1.62 0.01 -0.52 3.38 0.00 -1.94 -1.15 119.26 120.66 3mdp h ALA 123 Ca 0.54 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3mdp h ALA 123 Cb 1.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3mdp h ALA 123 CO -0.28 -0.31 0.21 1.25 0.00 0.00 0.00 179.25 180.12 3mdp h LEU 124 N -0.35 0.72 -0.48 0.00 5.85 -1.80 -2.73 115.31 116.52 3mdp h LEU 124 Ca 0.00 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.64 3mdp h LEU 124 Cb 0.37 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 3mdp h LEU 124 CO 0.00 0.69 0.06 1.23 -0.34 0.00 0.00 178.44 180.09 3mdp h GLY 125 N 0.70 0.55 0.97 3.75 0.00 -0.98 -0.51 103.07 107.56 3mdp h GLY 125 Ca 0.17 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.52 3mdp h GLY 125 CO -0.01 -0.09 0.23 1.46 0.00 0.00 0.00 176.54 178.13 3mdp h GLN 126 N 0.19 0.46 -0.25 4.80 7.50 -1.15 -3.17 115.11 123.49 3mdp h GLN 126 Ca 0.24 -0.03 -0.13 0.00 0.50 0.00 0.00 58.65 59.23 3mdp h GLN 126 Cb 0.34 -0.10 -0.00 0.00 0.05 0.00 0.00 27.48 27.76 3mdp h GLN 126 CO -0.35 0.30 -0.35 -0.24 -1.50 0.00 0.00 178.83 176.70 3mdp h VAL 127 N 0.47 1.31 0.00 -0.54 3.04 -1.14 -1.55 116.25 117.83 3mdp h VAL 127 Ca 0.14 -1.54 0.00 0.00 -1.01 0.00 0.00 66.70 64.28 3mdp h VAL 127 Cb -0.03 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 3mdp h VAL 127 CO -0.04 0.49 0.00 0.18 -1.01 0.00 0.00 177.57 177.19 3mdp n LEU 128 N -4.24 0.00 0.00 3.16 4.77 -0.24 -0.98 117.00 119.47 3mdp n LEU 128 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3mdp n LEU 128 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3mdp n LEU 128 CO 0.46 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.32 3mdp n ASN 130 N 0.49 0.00 0.04 -1.43 2.85 -0.59 -1.00 115.26 115.63 3mdp n ASN 130 Ca 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.45 3mdp n ASN 130 Cb 0.00 0.00 0.23 0.00 1.24 0.00 0.00 39.78 41.25 3mdp n ASN 130 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 3mdp h ASN 131 N 0.00 0.40 -0.30 1.20 4.21 -1.32 0.62 115.58 120.39 3mdp h ASN 131 Ca 0.00 -0.13 -0.17 0.00 1.21 0.00 0.00 56.30 57.21 3mdp h ASN 131 Cb 0.00 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.09 3mdp h ASN 131 CO 0.00 0.66 -0.46 1.62 -1.29 0.00 0.00 177.43 177.96 3mdp h VAL 132 N 0.35 1.28 -0.24 2.81 3.04 -1.31 -0.39 116.25 121.79 3mdp h VAL 132 Ca 0.05 -1.64 0.00 0.00 -1.01 0.00 0.00 66.70 64.10 3mdp h VAL 132 Cb 0.65 1.51 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 3mdp h VAL 132 CO 0.05 0.54 0.15 0.00 -1.01 0.00 0.00 177.57 177.30 3mdp h ALA 133 N 0.78 0.30 -0.85 3.17 0.00 -1.73 -1.72 119.26 119.20 3mdp h ALA 133 Ca 0.04 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3mdp h ALA 133 Cb 1.05 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3mdp h ALA 133 CO 0.11 -0.22 0.56 0.00 0.00 0.00 0.00 179.25 179.69 3mdp h ALA 134 N 1.08 1.09 -0.38 0.00 0.00 -0.81 -0.65 119.26 119.59 3mdp h ALA 134 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3mdp h ALA 134 Cb -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3mdp h ALA 134 CO -0.02 0.44 0.22 0.00 0.00 0.00 0.00 179.25 179.90 3mdp h ALA 135 N 1.33 0.48 -0.21 0.00 0.00 -0.85 -1.09 119.26 118.91 3mdp h ALA 135 Ca 0.32 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 3mdp h ALA 135 Cb -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3mdp h ALA 135 CO -0.08 -0.02 -0.50 -0.39 0.00 0.00 0.00 179.25 178.26 3mdp h VAL 136 N 0.49 1.31 -0.82 0.00 -1.51 -1.11 -2.84 116.25 111.77 3mdp h VAL 136 Ca 0.13 -1.72 0.03 0.00 -1.23 0.00 0.00 66.70 63.91 3mdp h VAL 136 Cb 0.02 1.69 -0.05 0.00 -2.13 0.00 0.00 31.29 30.82 3mdp h VAL 136 CO -0.02 0.54 0.53 0.25 -1.23 0.00 0.00 177.57 177.64 3mdp h LEU 137 N 0.46 0.89 -1.84 4.19 5.85 -0.96 -2.50 115.31 121.40 3mdp h LEU 137 Ca 0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3mdp h LEU 137 Cb 1.04 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3mdp h LEU 137 CO 0.10 0.62 0.00 0.00 -0.34 0.00 0.00 178.44 178.82 3mdp h ALA 138 N 1.33 1.00 0.00 1.25 0.00 -0.96 -2.85 119.26 119.03 3mdp h ALA 138 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3mdp h ALA 138 Cb -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3mdp h ALA 138 CO -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.11 3mdp h ARG 139 N 0.00 0.00 -0.25 0.00 3.08 -1.31 -1.87 114.38 114.03 3mdp h ARG 139 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mdp h ARG 139 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3mdp h ARG 139 CO 0.00 0.04 0.00 1.28 -1.07 0.00 0.00 179.97 180.22 3mdp n LEU 140 N -3.66 2.92 -0.48 3.04 4.77 -1.07 -5.07 117.00 117.44 3mdp n LEU 140 Ca -0.03 -1.18 0.06 0.00 -0.03 0.00 0.00 56.01 54.84 3mdp n LEU 140 Cb 0.14 -0.15 0.05 0.00 -2.33 0.00 0.00 43.42 41.12 3mdp n LEU 140 CO 0.27 0.59 0.44 1.41 -1.33 0.00 0.00 177.39 178.77