#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cmd s VAL -5 N 0.00 5.28 0.00 1.96 -7.23 -1.26 -5.08 120.40 114.07 3cmd s VAL -5 Ca 0.00 0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.53 3cmd s VAL -5 Cb 0.00 -3.59 0.00 0.00 0.56 0.00 0.00 36.38 33.35 3cmd s VAL -5 CO 0.00 0.26 0.00 -2.65 -0.31 0.00 0.00 175.10 172.40 3cmd n PRO -4 N 4.75 0.00 0.00 4.82 -0.02 -1.26 -5.02 135.00 138.27 3cmd n PRO -4 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3cmd n PRO -4 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 3cmd n PRO -4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cmd n GLY -3 N 0.00 2.86 3.22 -1.23 0.00 -1.26 -5.16 105.19 103.62 3cmd n GLY -3 Ca 0.00 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 3cmd n GLY -3 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3cmd s ARG -2 N 2.92 1.17 0.25 1.61 3.03 -1.26 -5.17 118.95 121.50 3cmd s ARG -2 Ca 0.00 -1.55 -0.21 0.00 2.03 0.00 0.00 55.73 55.99 3cmd s ARG -2 Cb 0.00 0.28 0.05 0.00 -1.03 0.00 0.00 34.95 34.25 3cmd s ARG -2 CO 0.00 -0.38 0.84 -3.38 -1.13 0.00 0.00 175.30 171.25 3cmd s HIS -1 N -4.12 -0.09 0.37 5.89 -3.43 -1.26 -5.18 115.29 107.47 3cmd s HIS -1 Ca 0.34 -0.36 0.08 0.00 -0.80 0.00 0.00 55.06 54.32 3cmd s HIS -1 Cb 0.06 0.71 -0.05 0.00 -1.43 0.00 0.00 32.58 31.88 3cmd s HIS -1 CO 0.09 -1.14 0.14 -1.64 -2.00 0.00 0.00 174.74 170.19 3cmd s MET 0 N -3.24 2.26 -0.09 -0.38 -1.94 -1.26 -5.13 119.30 109.51 3cmd s MET 0 Ca 0.13 -1.70 0.02 0.00 -1.71 0.00 0.00 55.69 52.43 3cmd s MET 0 Cb -0.04 -2.05 0.01 0.00 2.01 0.00 0.00 34.83 34.76 3cmd s MET 0 CO 0.06 0.02 -0.14 -1.64 -0.01 0.00 0.00 175.02 173.31 3cmd s MET 1 N -3.85 2.05 0.11 2.03 -1.94 -1.26 -4.85 119.30 111.59 3cmd s MET 1 Ca 0.39 -0.51 -0.31 0.00 -1.71 0.00 0.00 55.69 53.54 3cmd s MET 1 Cb 0.00 -1.71 -0.08 0.00 2.01 0.00 0.00 34.83 35.05 3cmd s MET 1 CO 0.22 -0.01 1.49 0.42 -0.01 0.00 0.00 175.02 177.13 3cmd s ILE 2 N 0.82 3.10 0.23 2.53 1.01 -1.26 -5.00 121.20 122.63 3cmd s ILE 2 Ca -0.11 0.73 0.08 0.00 0.00 0.00 0.00 60.65 61.36 3cmd s ILE 2 Cb -0.15 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 3cmd s ILE 2 CO 0.01 0.04 0.04 0.28 0.00 0.00 0.00 174.94 175.31 3cmd s THR 3 N 1.52 3.75 0.50 2.92 -1.32 -1.26 -4.97 115.64 116.78 3cmd s THR 3 Ca 0.68 -1.64 0.24 0.00 -1.21 0.00 0.00 61.69 59.75 3cmd s THR 3 Cb -0.39 -2.97 0.40 0.00 -1.51 0.00 0.00 72.50 68.03 3cmd s THR 3 CO 0.30 -0.28 1.96 0.24 -2.21 0.00 0.00 174.62 174.63 3cmd h MET 4 N 2.08 0.11 0.00 7.08 0.00 -1.88 0.84 114.93 123.16 3cmd h MET 4 Ca -0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 59.70 59.21 3cmd h MET 4 Cb 1.23 -0.02 -0.00 0.00 0.00 0.00 0.00 31.60 32.80 3cmd h MET 4 CO 0.60 0.07 -0.12 -0.44 0.00 0.00 0.00 176.91 177.02 3cmd h ASP 5 N 0.11 0.00 0.92 1.22 3.32 -1.96 -2.16 116.42 117.88 3cmd h ASP 5 Ca 0.31 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 3cmd h ASP 5 Cb 1.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3cmd h ASP 5 CO -0.04 0.12 -0.11 0.44 -1.72 0.00 0.00 179.24 177.93 3cmd h ASP 6 N 0.00 0.00 -3.18 6.45 3.32 -1.22 -3.41 116.42 118.38 3cmd h ASP 6 Ca -0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3cmd h ASP 6 Cb 0.32 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.77 3cmd h ASP 6 CO 0.02 0.11 0.72 -0.63 -1.72 0.00 0.00 179.24 177.74 3cmd s ILE 7 N -3.71 4.25 0.81 0.35 1.01 -0.81 -4.34 121.20 118.75 3cmd s ILE 7 Ca 0.01 0.50 -0.12 0.00 0.00 0.00 0.00 60.65 61.04 3cmd s ILE 7 Cb 0.10 -4.61 0.08 0.00 0.01 0.00 0.00 42.46 38.04 3cmd s ILE 7 CO 0.59 -1.21 1.14 0.27 0.00 0.00 0.00 174.94 175.73 3cmd s ILE 8 N 4.34 2.58 0.29 2.92 -4.36 0.52 -4.94 121.20 122.54 3cmd s ILE 8 Ca 0.35 0.22 0.09 0.00 -0.26 0.00 0.00 60.65 61.04 3cmd s ILE 8 Cb -0.11 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 3cmd s ILE 8 CO 0.21 -0.22 0.10 -0.13 0.24 0.00 0.00 174.94 175.14 3cmd s ARG 9 N -4.49 2.44 0.07 0.37 1.81 -1.26 -4.50 118.95 113.40 3cmd s ARG 9 Ca 0.67 -1.40 -0.37 0.00 -1.72 0.00 0.00 55.73 52.91 3cmd s ARG 9 Cb -0.22 -2.24 -0.18 0.00 -0.45 0.00 0.00 34.95 31.85 3cmd s ARG 9 CO 0.53 0.26 1.18 -1.91 -0.68 0.00 0.00 175.30 174.69 3cmd n GLU 10 N -1.06 0.71 0.00 3.54 2.13 0.56 -1.11 120.64 125.42 3cmd n GLU 10 Ca -0.05 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.02 3cmd n GLU 10 Cb 0.60 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.51 3cmd n GLU 10 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cmd n GLY 11 N 2.07 1.31 3.65 8.31 0.00 -1.26 -5.05 105.19 114.23 3cmd n GLY 11 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3cmd n GLY 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cmd s ASN 12 N -0.34 6.57 0.52 1.61 3.84 -0.27 -4.86 114.94 122.01 3cmd s ASN 12 Ca 0.00 2.18 0.29 0.00 0.21 0.00 0.00 52.86 55.54 3cmd s ASN 12 Cb 0.00 -2.53 1.41 0.00 -0.55 0.00 0.00 41.25 39.58 3cmd s ASN 12 CO 0.00 -1.02 1.90 1.55 -2.79 0.00 0.00 177.10 176.74 3cmd h PRO 13 N 9.97 0.06 -0.82 0.43 0.13 -1.96 -1.76 132.00 138.04 3cmd h PRO 13 Ca -0.39 -0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.90 3cmd h PRO 13 Cb 1.18 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 3cmd h PRO 13 CO 0.96 0.04 0.55 1.15 -0.23 0.00 0.00 178.00 180.47 3cmd h THR 14 N 0.06 0.75 0.00 1.56 2.02 -1.94 0.20 112.91 115.56 3cmd h THR 14 Ca 0.41 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.45 3cmd h THR 14 Cb 1.55 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3cmd h THR 14 CO -0.03 0.08 0.00 0.18 0.37 0.00 0.00 175.52 176.11 3cmd n LEU 15 N -4.49 0.00 -0.31 2.58 4.77 -0.66 -2.39 117.00 116.50 3cmd n LEU 15 Ca 0.17 0.42 0.06 0.00 -0.03 0.00 0.00 56.01 56.62 3cmd n LEU 15 Cb 0.60 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3cmd n LEU 15 CO 0.32 -0.30 0.26 0.54 -1.33 0.00 0.00 177.39 176.87 3cmd n ARG 16 N -1.42 1.79 -1.95 3.23 5.12 0.72 -4.28 116.66 119.87 3cmd n ARG 16 Ca 0.03 -0.75 -0.30 0.00 -1.93 0.00 0.00 57.85 54.90 3cmd n ARG 16 Cb 0.08 -1.16 0.04 0.00 -1.16 0.00 0.00 32.46 30.26 3cmd n ARG 16 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3cmd s GLU 17 N -1.48 2.95 -0.35 5.56 2.02 -1.01 -4.43 118.70 121.97 3cmd s GLU 17 Ca 0.11 0.43 -0.17 0.00 0.02 0.00 0.00 54.97 55.36 3cmd s GLU 17 Cb 0.10 -2.06 -0.00 0.00 0.10 0.00 0.00 34.13 32.26 3cmd s GLU 17 CO 0.29 -0.94 0.44 0.08 0.02 0.00 0.00 175.26 175.15 3cmd s VAL 18 N -3.29 5.09 0.62 2.63 1.01 -1.26 -2.24 120.40 122.95 3cmd s VAL 18 Ca 0.57 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 62.51 3cmd s VAL 18 Cb -0.11 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3cmd s VAL 18 CO 0.51 -0.19 1.17 0.00 0.00 0.00 0.00 175.10 176.60 3cmd n ALA 19 N 5.58 0.81 -1.81 5.51 0.00 -0.33 -4.98 120.51 125.29 3cmd n ALA 19 Ca -0.07 0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.06 3cmd n ALA 19 Cb 0.49 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.63 3cmd n ALA 19 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3cmd s LYS 20 N -3.07 4.16 0.27 0.00 -0.14 -0.34 -4.56 119.74 116.06 3cmd s LYS 20 Ca 0.79 1.18 -0.29 0.00 -1.36 0.00 0.00 55.97 56.28 3cmd s LYS 20 Cb -0.40 -2.18 -0.09 0.00 -1.68 0.00 0.00 37.83 33.47 3cmd s LYS 20 CO 0.44 -0.10 1.23 -2.00 -0.76 0.00 0.00 175.35 174.16 3cmd s GLU 21 N -3.15 4.47 0.25 1.68 2.56 -1.26 -0.16 118.70 123.09 3cmd s GLU 21 Ca 0.63 2.01 -0.18 0.00 0.00 0.00 0.00 54.97 57.43 3cmd s GLU 21 Cb -0.11 -3.15 -0.08 0.00 2.00 0.00 0.00 34.13 32.78 3cmd s GLU 21 CO 0.15 -0.06 0.71 0.14 -0.56 0.00 0.00 175.26 175.64 3cmd s VAL 22 N -0.77 4.62 0.24 3.70 -7.23 -1.26 -4.87 120.40 114.83 3cmd s VAL 22 Ca 0.49 1.15 -0.17 0.00 -1.81 0.00 0.00 61.98 61.64 3cmd s VAL 22 Cb -0.36 -3.78 -0.08 0.00 0.56 0.00 0.00 36.38 32.72 3cmd s VAL 22 CO 0.44 0.09 0.70 -0.55 -0.31 0.00 0.00 175.10 175.47 3cmd s SER 23 N -1.84 6.93 0.06 4.85 0.15 -1.26 -4.96 113.70 117.62 3cmd s SER 23 Ca 0.46 1.31 0.08 0.00 0.70 0.00 0.00 55.95 58.50 3cmd s SER 23 Cb -0.15 -2.38 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 3cmd s SER 23 CO 0.20 -0.03 -0.21 -0.76 1.20 0.00 0.00 173.24 173.64 3cmd s LEU 24 N -2.30 2.49 0.53 3.45 1.43 -1.26 -3.62 118.68 119.40 3cmd s LEU 24 Ca 0.46 -0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 52.85 3cmd s LEU 24 Cb -0.14 -1.44 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 3cmd s LEU 24 CO 0.20 0.24 1.18 -2.16 0.23 0.00 0.00 176.35 176.04 3cmd s PRO 25 N -1.50 3.37 0.26 1.29 0.04 -1.26 -5.09 135.00 132.10 3cmd s PRO 25 Ca 0.14 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 3cmd s PRO 25 Cb -0.10 -2.14 -0.13 0.00 0.04 0.00 0.00 34.50 32.17 3cmd s PRO 25 CO 0.05 -0.87 1.34 1.28 0.04 0.00 0.00 177.00 178.84 3cmd n LEU 26 N -1.09 2.99 -4.80 -3.56 4.77 -1.24 -4.98 117.00 109.09 3cmd n LEU 26 Ca 0.11 1.16 -0.32 0.00 -0.03 0.00 0.00 56.01 56.92 3cmd n LEU 26 Cb 0.49 -1.41 0.02 0.00 -2.33 0.00 0.00 43.42 40.18 3cmd n LEU 26 CO 0.45 -0.61 0.72 -0.94 -1.33 0.00 0.00 177.39 175.68 3cmd s SER 27 N 0.08 5.74 0.43 -1.43 1.04 -1.26 -4.90 113.70 113.39 3cmd s SER 27 Ca 0.65 1.79 0.29 0.00 0.48 0.00 0.00 55.95 59.17 3cmd s SER 27 Cb -0.65 -2.53 1.51 0.00 0.10 0.00 0.00 66.02 64.45 3cmd s SER 27 CO 0.53 -1.20 1.89 -0.08 0.98 0.00 0.00 173.24 175.37 3cmd h GLU 28 N 0.30 0.00 0.10 4.02 4.57 -1.99 -1.06 114.58 120.53 3cmd h GLU 28 Ca -0.46 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 57.57 3cmd h GLU 28 Cb 1.22 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.82 3cmd h GLU 28 CO 0.57 0.00 -0.64 1.49 -1.18 0.00 0.00 179.01 179.25 3cmd h GLU 29 N 0.00 0.22 -0.10 1.92 4.81 -1.99 -2.73 114.58 116.71 3cmd h GLU 29 Ca 0.00 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 58.79 3cmd h GLU 29 Cb 0.10 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3cmd h GLU 29 CO 0.00 1.18 -0.26 -0.44 -0.73 0.00 0.00 179.01 178.76 3cmd h ASP 30 N -0.54 0.17 -0.29 1.04 3.32 -1.79 -1.37 116.42 116.96 3cmd h ASP 30 Ca -0.12 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.73 3cmd h ASP 30 Cb 1.48 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.99 3cmd h ASP 30 CO 0.10 0.43 -0.42 0.40 -1.72 0.00 0.00 179.24 178.03 3cmd h ILE 31 N 0.15 1.29 0.02 0.35 2.04 -1.32 -2.25 117.51 117.80 3cmd h ILE 31 Ca 0.02 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.27 3cmd h ILE 31 Cb 0.54 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3cmd h ILE 31 CO 0.04 0.52 -0.01 0.28 0.00 0.00 0.00 178.15 178.98 3cmd h SER 32 N 0.57 -0.02 -0.49 1.72 0.02 -1.25 -1.68 113.55 112.42 3cmd h SER 32 Ca 0.03 -0.20 0.09 0.00 -0.84 0.00 0.00 61.79 60.87 3cmd h SER 32 Cb 1.02 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.49 3cmd h SER 32 CO 0.10 0.19 0.03 0.25 -1.14 0.00 0.00 176.83 176.25 3cmd h LEU 33 N -0.23 -0.15 -0.37 5.07 5.85 -1.28 0.20 115.31 124.41 3cmd h LEU 33 Ca -0.00 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.90 3cmd h LEU 33 Cb 0.22 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 3cmd h LEU 33 CO 0.00 -0.05 -0.11 1.23 -0.34 0.00 0.00 178.44 179.17 3cmd h GLY 34 N 0.14 0.23 1.16 3.75 0.00 -1.18 0.13 103.07 107.30 3cmd h GLY 34 Ca 0.25 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 3cmd h GLY 34 CO -0.39 -0.15 0.42 0.50 0.00 0.00 0.00 176.54 176.91 3cmd h LYS 35 N -0.03 1.10 -0.46 4.80 1.57 -0.08 -1.60 116.57 121.86 3cmd h LYS 35 Ca 0.18 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3cmd h LYS 35 Cb 0.31 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3cmd h LYS 35 CO -0.40 0.82 0.02 1.49 -0.57 0.00 0.00 179.45 180.80 3cmd h GLU 36 N 1.10 0.75 -0.36 3.15 4.81 0.35 -0.83 114.58 123.55 3cmd h GLU 36 Ca 0.28 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 3cmd h GLU 36 Cb 0.05 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3cmd h GLU 36 CO -0.04 0.75 -0.12 0.52 -0.73 0.00 0.00 179.01 179.39 3cmd h MET 37 N 0.71 0.72 -0.27 1.92 2.86 0.11 -2.41 114.93 118.57 3cmd h MET 37 Ca 0.14 -0.29 -0.13 0.00 -2.06 0.00 0.00 59.70 57.36 3cmd h MET 37 Cb 0.41 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 3cmd h MET 37 CO 0.02 0.89 -0.33 1.25 1.06 0.00 0.00 176.91 179.80 3cmd h LEU 38 N 0.51 0.75 -0.90 1.22 6.46 -1.15 -2.74 115.31 119.47 3cmd h LEU 38 Ca 0.09 -0.49 0.10 0.00 -0.12 0.00 0.00 57.88 57.45 3cmd h LEU 38 Cb 0.64 -0.21 -0.08 0.00 -0.73 0.00 0.00 40.66 40.28 3cmd h LEU 38 CO 0.04 1.09 0.54 -0.08 -0.62 0.00 0.00 178.44 179.42 3cmd h GLU 39 N 0.42 0.87 0.72 1.25 4.81 -1.15 -1.72 114.58 119.79 3cmd h GLU 39 Ca 0.03 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3cmd h GLU 39 Cb 0.91 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3cmd h GLU 39 CO 0.08 0.58 -0.49 0.35 -0.73 0.00 0.00 179.01 178.79 3cmd h PHE 40 N 0.90 -1.33 -0.49 0.92 3.57 -1.27 0.38 116.94 119.62 3cmd h PHE 40 Ca 0.43 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.02 3cmd h PHE 40 Cb 0.38 0.49 -0.09 0.00 2.79 0.00 0.00 35.95 39.51 3cmd h PHE 40 CO -0.04 -0.72 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.12 3cmd h LEU 41 N -1.15 -0.51 -0.53 0.59 3.38 -1.17 0.59 115.31 116.51 3cmd h LEU 41 Ca -0.10 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3cmd h LEU 41 Cb 0.94 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 3cmd h LEU 41 CO 0.07 -0.18 0.31 0.11 0.09 0.00 0.00 178.44 178.84 3cmd h LYS 42 N -0.02 0.72 -0.66 1.13 1.57 -1.19 -2.41 116.57 115.71 3cmd h LYS 42 Ca 0.23 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3cmd h LYS 42 Cb 0.38 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3cmd h LYS 42 CO -0.51 0.53 0.40 -0.91 -0.57 0.00 0.00 179.45 178.40 3cmd h ASN 43 N 0.70 0.79 0.55 0.86 2.35 0.20 -1.92 115.58 119.11 3cmd h ASN 43 Ca 0.19 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3cmd h ASN 43 Cb 0.01 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.18 3cmd h ASN 43 CO -0.03 0.61 0.00 0.77 -1.65 0.00 0.00 177.43 177.13 3cmd h SER 44 N 0.90 0.00 0.24 5.81 4.64 0.39 -2.70 113.55 122.83 3cmd h SER 44 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3cmd h SER 44 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3cmd h SER 44 CO -0.05 0.00 -0.84 0.00 -0.87 0.00 0.00 176.83 175.08 3cmd n GLN 45 N -2.46 0.05 -3.35 4.77 6.02 -0.74 -3.74 117.38 117.93 3cmd n GLN 45 Ca 0.01 -0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 3cmd n GLN 45 Cb 0.18 -1.51 -0.09 0.00 1.02 0.00 0.00 30.24 29.84 3cmd n GLN 45 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3cmd s ASP 46 N -3.15 6.28 0.18 1.08 2.15 -1.04 -4.99 116.67 117.18 3cmd s ASP 46 Ca 0.08 0.28 -0.23 0.00 0.43 0.00 0.00 52.55 53.11 3cmd s ASP 46 Cb 0.16 -2.23 0.09 0.00 -0.30 0.00 0.00 42.92 40.64 3cmd s ASP 46 CO 0.80 -0.23 1.57 -0.65 -0.17 0.00 0.00 175.17 176.48 3cmd h PRO 47 N 8.18 -0.15 0.05 4.34 0.11 -1.88 0.27 132.00 142.91 3cmd h PRO 47 Ca -0.31 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3cmd h PRO 47 Cb 1.15 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3cmd h PRO 47 CO 0.67 -0.10 -0.04 0.82 -0.21 0.00 0.00 178.00 179.14 3cmd h ILE 48 N -0.16 0.92 0.03 4.15 2.04 -1.94 -0.39 117.51 122.16 3cmd h ILE 48 Ca 0.22 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.08 3cmd h ILE 48 Cb 0.56 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3cmd h ILE 48 CO -0.75 0.00 -0.01 0.11 0.00 0.00 0.00 178.15 177.49 3cmd h LYS 49 N -0.09 -0.03 -0.83 2.37 1.57 -1.68 0.13 116.57 118.00 3cmd h LYS 49 Ca -0.00 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 3cmd h LYS 49 Cb 0.08 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.31 3cmd h LYS 49 CO -0.00 0.23 0.44 0.00 -0.57 0.00 0.00 179.45 179.54 3cmd h ALA 50 N 0.67 1.23 -0.03 3.86 0.00 -0.27 0.45 119.26 125.17 3cmd h ALA 50 Ca -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3cmd h ALA 50 Cb 0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3cmd h ALA 50 CO 0.01 -0.05 -0.03 0.93 0.00 0.00 0.00 179.25 180.11 3cmd h GLU 51 N 0.66 0.08 -0.05 0.00 5.08 -0.90 0.23 114.58 119.68 3cmd h GLU 51 Ca 0.44 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.69 3cmd h GLU 51 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3cmd h GLU 51 CO -0.33 0.53 -0.28 0.93 -1.00 0.00 0.00 179.01 178.87 3cmd h GLU 52 N -0.37 0.09 -0.54 2.33 4.39 -0.42 -2.56 114.58 117.50 3cmd h GLU 52 Ca 0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3cmd h GLU 52 Cb 0.52 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3cmd h GLU 52 CO 0.01 0.37 0.00 1.28 -1.16 0.00 0.00 179.01 179.51 3cmd n LEU 53 N -4.18 3.62 -3.80 1.33 4.77 0.15 -4.99 117.00 113.90 3cmd n LEU 53 Ca -0.02 -1.68 -0.32 0.00 -0.03 0.00 0.00 56.01 53.96 3cmd n LEU 53 Cb 0.35 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3cmd n LEU 53 CO 0.38 0.84 -0.13 1.41 -1.33 0.00 0.00 177.39 178.57 3cmd n HIS 54 N 1.53 -1.87 -4.32 -1.77 8.25 0.23 -4.84 115.22 112.43 3cmd n HIS 54 Ca 0.22 0.50 -0.28 0.00 -0.26 0.00 0.00 57.72 57.90 3cmd n HIS 54 Cb 0.60 -3.05 -0.11 0.00 1.12 0.00 0.00 29.99 28.56 3cmd n HIS 54 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3cmd s LEU 55 N -6.10 2.74 -0.24 2.41 1.43 0.57 -4.66 118.68 114.82 3cmd s LEU 55 Ca 0.29 -0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 52.67 3cmd s LEU 55 Cb -0.13 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 3cmd s LEU 55 CO 0.90 0.14 0.15 -0.60 0.23 0.00 0.00 176.35 177.17 3cmd s ARG 56 N -2.46 3.99 0.45 1.70 3.52 -1.26 -4.75 118.95 120.14 3cmd s ARG 56 Ca 0.21 -0.31 -0.25 0.00 -0.13 0.00 0.00 55.73 55.25 3cmd s ARG 56 Cb -0.09 -3.51 -0.09 0.00 -1.56 0.00 0.00 34.95 29.70 3cmd s ARG 56 CO 0.12 -0.00 1.29 0.41 -0.81 0.00 0.00 175.30 176.30 3cmd n GLY 57 N 4.47 0.59 3.33 8.12 0.00 -1.25 -4.88 105.19 115.57 3cmd n GLY 57 Ca -0.15 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3cmd n GLY 57 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cmd s GLY 58 N -0.61 -0.15 -0.00 -0.02 0.00 -1.26 -4.97 107.32 100.31 3cmd s GLY 58 Ca 0.63 -0.21 0.03 0.00 0.00 0.00 0.00 44.72 45.17 3cmd s GLY 58 CO 0.56 -0.41 0.11 3.33 0.00 0.00 0.00 173.10 176.69 3cmd n VAL 59 N -0.22 0.00 -4.05 1.40 0.24 -1.26 -4.77 118.33 109.67 3cmd n VAL 59 Ca -0.15 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.34 61.80 3cmd n VAL 59 Cb 0.63 0.72 -0.11 0.00 -1.47 0.00 0.00 33.84 33.61 3cmd n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3cmd s GLY 60 N -1.84 0.44 -0.09 7.63 0.00 -1.26 0.01 107.32 112.21 3cmd s GLY 60 Ca 0.00 -0.84 -0.19 0.00 0.00 0.00 0.00 44.72 43.69 3cmd s GLY 60 CO 0.14 -0.91 0.46 -2.27 0.00 0.00 0.00 173.10 170.51 3cmd s LEU 61 N -1.91 0.26 -0.00 0.66 2.96 0.13 -4.94 118.68 115.84 3cmd s LEU 61 Ca -0.07 0.57 0.07 0.00 -0.22 0.00 0.00 54.13 54.47 3cmd s LEU 61 Cb -0.06 1.69 -0.02 0.00 0.50 0.00 0.00 46.19 48.30 3cmd s LEU 61 CO -0.02 -0.37 -0.21 0.00 -1.32 0.00 0.00 176.35 174.43 3cmd s ALA 62 N -0.68 1.77 0.28 5.97 0.00 -1.26 -0.51 121.76 127.32 3cmd s ALA 62 Ca -0.08 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3cmd s ALA 62 Cb -0.03 -0.42 0.65 0.00 0.00 0.00 0.00 23.12 23.31 3cmd s ALA 62 CO 0.04 0.42 1.68 0.00 0.00 0.00 0.00 175.76 177.90 3cmd h ALA 63 N 5.43 1.25 -0.83 0.00 0.00 -1.33 -0.06 119.26 123.72 3cmd h ALA 63 Ca -0.40 0.18 0.19 0.00 0.00 0.00 0.00 54.91 54.88 3cmd h ALA 63 Cb 1.14 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 3cmd h ALA 63 CO 0.47 -0.38 0.56 -1.35 0.00 0.00 0.00 179.25 178.55 3cmd h PRO 64 N 0.30 0.30 0.00 0.00 0.11 -1.55 0.27 132.00 131.42 3cmd h PRO 64 Ca 0.52 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.61 3cmd h PRO 64 Cb 0.98 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3cmd h PRO 64 CO -0.57 0.20 0.00 1.96 -0.21 0.00 0.00 178.00 179.38 3cmd h GLN 65 N 0.31 0.00 -0.66 1.05 4.20 -1.29 0.48 115.11 119.19 3cmd h GLN 65 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 3cmd h GLN 65 Cb 1.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3cmd h GLN 65 CO -0.12 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.32 3cmd n LEU 66 N -3.00 3.74 -0.72 1.46 4.77 0.86 -0.35 117.00 123.76 3cmd n LEU 66 Ca -0.01 -1.83 -0.07 0.00 -0.03 0.00 0.00 56.01 54.06 3cmd n LEU 66 Cb 0.17 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 3cmd n LEU 66 CO 0.22 0.91 -0.08 -0.67 -1.33 0.00 0.00 177.39 176.44 3cmd n ASP 67 N 1.56 -3.29 -4.13 -1.43 2.03 0.17 -4.88 116.55 106.58 3cmd n ASP 67 Ca 0.23 0.08 -0.35 0.00 0.52 0.00 0.00 54.79 55.28 3cmd n ASP 67 Cb 0.60 -2.07 -0.13 0.00 -0.72 0.00 0.00 41.12 38.80 3cmd n ASP 67 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3cmd s ILE 68 N -2.33 2.99 -1.25 5.18 1.01 -0.77 -4.96 121.20 121.08 3cmd s ILE 68 Ca 0.00 -1.82 -0.16 0.00 0.00 0.00 0.00 60.65 58.68 3cmd s ILE 68 Cb 0.00 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 3cmd s ILE 68 CO 0.00 -0.42 2.20 -0.24 0.00 0.00 0.00 174.94 176.47 3cmd n SER 69 N 4.55 3.94 -4.14 3.58 2.88 -1.26 -1.72 113.62 121.44 3cmd n SER 69 Ca -0.06 -2.75 -0.20 0.00 -1.33 0.00 0.00 58.87 54.53 3cmd n SER 69 Cb 0.42 -1.46 -0.14 0.00 -0.75 0.00 0.00 64.21 62.28 3cmd n SER 69 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3cmd s LYS 70 N 3.65 0.97 -1.27 -1.46 1.02 -1.26 -1.20 119.74 120.20 3cmd s LYS 70 Ca 0.52 -0.73 -0.19 0.00 0.02 0.00 0.00 55.97 55.58 3cmd s LYS 70 Cb 0.14 -0.98 0.02 0.00 -0.52 0.00 0.00 37.83 36.49 3cmd s LYS 70 CO -0.02 0.25 1.86 0.54 -0.92 0.00 0.00 175.35 177.06 3cmd n ARG 71 N 1.99 2.69 -3.83 1.68 1.74 0.77 -4.45 116.66 117.26 3cmd n ARG 71 Ca -0.18 -2.92 -0.17 0.00 -0.77 0.00 0.00 57.85 53.82 3cmd n ARG 71 Cb 0.55 -3.49 -0.16 0.00 -1.02 0.00 0.00 32.46 28.34 3cmd n ARG 71 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3cmd s ILE 72 N 5.64 0.07 0.17 0.55 1.01 -1.26 -1.10 121.20 126.28 3cmd s ILE 72 Ca 0.56 0.18 0.03 0.00 0.00 0.00 0.00 60.65 61.42 3cmd s ILE 72 Cb 0.05 -0.21 -0.05 0.00 0.01 0.00 0.00 42.46 42.26 3cmd s ILE 72 CO 0.07 0.14 -0.03 0.27 0.00 0.00 0.00 174.94 175.39 3cmd s ILE 73 N 1.27 0.90 -0.01 2.92 -4.36 -0.60 -1.07 121.20 120.25 3cmd s ILE 73 Ca -0.06 -2.01 -0.02 0.00 -0.26 0.00 0.00 60.65 58.29 3cmd s ILE 73 Cb -0.13 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.52 3cmd s ILE 73 CO -0.03 -0.55 0.05 0.00 0.24 0.00 0.00 174.94 174.66 3cmd s ALA 74 N -3.51 -0.12 -0.00 2.27 0.00 0.33 0.16 121.76 120.89 3cmd s ALA 74 Ca 0.22 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.21 3cmd s ALA 74 Cb 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 3cmd s ALA 74 CO 0.03 -0.07 -0.03 0.14 0.00 0.00 0.00 175.76 175.84 3cmd s VAL 75 N -0.34 0.23 -0.32 0.00 -7.23 -0.75 -0.69 120.40 111.29 3cmd s VAL 75 Ca -0.04 -0.15 -0.01 0.00 -1.81 0.00 0.00 61.98 59.96 3cmd s VAL 75 Cb -0.03 -0.21 0.13 0.00 0.56 0.00 0.00 36.38 36.83 3cmd s VAL 75 CO 0.00 0.05 0.20 -2.28 -0.31 0.00 0.00 175.10 172.76 3cmd s HIS 76 N -0.11 0.38 -0.37 2.82 2.46 0.10 -1.95 115.29 118.62 3cmd s HIS 76 Ca 0.01 -1.15 -0.14 0.00 0.47 0.00 0.00 55.06 54.25 3cmd s HIS 76 Cb -0.01 -0.82 -0.00 0.00 -0.13 0.00 0.00 32.58 31.61 3cmd s HIS 76 CO -0.00 -0.85 0.29 0.08 -2.47 0.00 0.00 174.74 171.79 3cmd s VAL 77 N 1.60 5.25 0.42 0.89 1.01 0.10 -4.64 120.40 125.05 3cmd s VAL 77 Ca 0.14 -0.37 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 3cmd s VAL 77 Cb -0.19 -3.83 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 3cmd s VAL 77 CO -0.17 -0.16 0.49 -2.65 0.00 0.00 0.00 175.10 172.61 3cmd n PRO 78 N 5.18 0.50 -0.58 2.72 -0.02 -1.26 -3.81 135.00 137.73 3cmd n PRO 78 Ca -0.11 0.18 -0.22 0.00 -2.02 0.00 0.00 63.50 61.33 3cmd n PRO 78 Cb 0.48 -1.45 -0.06 0.00 -0.02 0.00 0.00 33.50 32.46 3cmd n PRO 78 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cmd n SER 79 N 1.38 0.24 0.00 2.55 3.41 -1.26 -4.87 113.62 115.06 3cmd n SER 79 Ca 0.11 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3cmd n SER 79 Cb 0.40 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3cmd n SER 79 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3cmd n SER 88 N 3.74 0.00 -3.33 4.04 3.41 -1.25 -5.23 113.62 114.99 3cmd n SER 88 Ca 0.25 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.83 3cmd n SER 88 Cb -0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3cmd n SER 88 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3cmd s LEU 89 N 0.00 -0.99 -0.33 1.04 2.96 -1.25 -5.05 118.68 115.07 3cmd s LEU 89 Ca 0.00 0.70 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 3cmd s LEU 89 Cb 0.00 1.68 0.15 0.00 0.50 0.00 0.00 46.19 48.53 3cmd s LEU 89 CO 0.00 -0.27 0.37 -0.55 -1.32 0.00 0.00 176.35 174.58 3cmd s SER 90 N 2.71 1.00 0.30 3.68 0.15 -1.25 -0.72 113.70 119.58 3cmd s SER 90 Ca 0.13 -0.98 -0.18 0.00 0.70 0.00 0.00 55.95 55.62 3cmd s SER 90 Cb -0.15 0.75 0.02 0.00 -1.71 0.00 0.00 66.02 64.94 3cmd s SER 90 CO -0.18 -0.32 0.69 0.28 1.20 0.00 0.00 173.24 174.91 3cmd s THR 91 N 2.03 0.00 -0.07 6.45 -1.32 -0.82 -5.01 115.64 116.90 3cmd s THR 91 Ca 0.13 -1.09 0.01 0.00 -1.21 0.00 0.00 61.69 59.53 3cmd s THR 91 Cb -0.14 -2.25 -0.03 0.00 -1.51 0.00 0.00 72.50 68.57 3cmd s THR 91 CO -0.20 0.00 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.43 3cmd s VAL 92 N -3.54 3.49 -0.12 5.08 1.01 -1.26 -1.82 120.40 123.24 3cmd s VAL 92 Ca 0.15 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3cmd s VAL 92 Cb -0.05 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3cmd s VAL 92 CO 0.09 0.59 -0.20 -0.04 0.00 0.00 0.00 175.10 175.53 3cmd s MET 93 N -0.68 3.13 -0.14 2.72 -1.94 0.12 -4.54 119.30 117.98 3cmd s MET 93 Ca 0.10 -0.82 -0.04 0.00 -1.71 0.00 0.00 55.69 53.22 3cmd s MET 93 Cb -0.11 -2.43 -0.03 0.00 2.01 0.00 0.00 34.83 34.27 3cmd s MET 93 CO 0.01 0.13 -0.01 0.71 -0.01 0.00 0.00 175.02 175.85 3cmd s TYR 94 N 0.49 3.10 -1.37 -0.03 1.51 -0.30 -1.56 117.35 119.19 3cmd s TYR 94 Ca -0.13 -0.09 -0.00 0.00 -1.01 0.00 0.00 57.07 55.84 3cmd s TYR 94 Cb -0.17 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.75 3cmd s TYR 94 CO 0.05 0.14 0.52 0.09 -1.11 0.00 0.00 175.55 175.25 3cmd n ASN 95 N 3.13 -0.63 -4.77 2.29 3.02 -0.26 -1.80 115.26 116.24 3cmd n ASN 95 Ca -0.18 -0.94 -0.37 0.00 -0.03 0.00 0.00 54.58 53.06 3cmd n ASN 95 Cb 0.53 -3.42 -0.00 0.00 -0.61 0.00 0.00 39.78 36.27 3cmd n ASN 95 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3cmd s PRO 96 N -6.34 3.69 -0.17 3.52 0.04 -1.26 -4.59 135.00 129.89 3cmd s PRO 96 Ca 0.01 1.86 -0.09 0.00 0.04 0.00 0.00 61.00 62.81 3cmd s PRO 96 Cb -0.00 -2.41 0.06 0.00 0.04 0.00 0.00 34.50 32.18 3cmd s PRO 96 CO 0.86 -0.63 0.40 0.21 0.04 0.00 0.00 177.00 177.88 3cmd s LYS 97 N -2.69 0.39 -0.08 4.56 2.20 -0.35 -4.97 119.74 118.80 3cmd s LYS 97 Ca 0.64 0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 56.72 3cmd s LYS 97 Cb -0.31 -0.01 -0.02 0.00 -1.51 0.00 0.00 37.83 35.99 3cmd s LYS 97 CO 0.37 -0.15 1.00 0.42 -0.36 0.00 0.00 175.35 176.63 3cmd s ILE 98 N 1.31 4.81 -0.12 5.43 1.01 -1.26 -1.21 121.20 131.16 3cmd s ILE 98 Ca -0.09 2.04 0.22 0.00 0.00 0.00 0.00 60.65 62.83 3cmd s ILE 98 Cb -0.08 -4.31 -0.19 0.00 0.01 0.00 0.00 42.46 37.88 3cmd s ILE 98 CO -0.12 0.04 0.72 0.18 0.00 0.00 0.00 174.94 175.77 3cmd n LEU 99 N 4.73 0.38 -3.58 2.97 4.77 0.53 -4.99 117.00 121.81 3cmd n LEU 99 Ca 0.08 0.15 -0.05 0.00 -0.03 0.00 0.00 56.01 56.16 3cmd n LEU 99 Cb 0.49 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 3cmd n LEU 99 CO 0.52 -0.07 0.93 -0.94 -1.33 0.00 0.00 177.39 176.50 3cmd s SER 100 N -4.91 -0.18 0.09 -1.43 1.04 -1.24 -4.98 113.70 102.08 3cmd s SER 100 Ca -0.05 -0.03 -0.11 0.00 0.48 0.00 0.00 55.95 56.24 3cmd s SER 100 Cb 0.12 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.46 3cmd s SER 100 CO 0.86 -0.35 0.25 -1.38 0.98 0.00 0.00 173.24 173.59 3cmd s HIS 101 N -2.61 0.04 0.85 5.02 -3.43 -1.26 -1.82 115.29 112.08 3cmd s HIS 101 Ca 0.09 -0.40 -0.12 0.00 -0.80 0.00 0.00 55.06 53.84 3cmd s HIS 101 Cb -0.00 0.03 0.10 0.00 -1.43 0.00 0.00 32.58 31.27 3cmd s HIS 101 CO -0.05 -0.56 1.11 -1.54 -2.00 0.00 0.00 174.74 171.69 3cmd s SER 102 N -2.69 3.99 0.00 7.38 1.04 -0.16 -4.97 113.70 118.29 3cmd s SER 102 Ca 0.03 1.23 -0.14 0.00 0.48 0.00 0.00 55.95 57.54 3cmd s SER 102 Cb 0.03 -1.91 -0.34 0.00 0.10 0.00 0.00 66.02 63.91 3cmd s SER 102 CO -0.10 -2.28 0.88 0.58 0.98 0.00 0.00 173.24 173.30 3cmd h VAL 103 N -1.30 1.15 -2.31 5.02 2.07 -2.01 -3.44 116.25 115.42 3cmd h VAL 103 Ca -0.49 -2.64 -0.61 0.00 0.82 0.00 0.00 66.70 63.79 3cmd h VAL 103 Cb 1.29 2.94 0.07 0.00 -1.52 0.00 0.00 31.29 34.07 3cmd h VAL 103 CO 0.59 0.83 0.54 1.67 0.02 0.00 0.00 177.57 181.23 3cmd n GLN 104 N -3.67 1.74 -3.73 1.57 -0.06 -1.26 -4.89 117.38 107.09 3cmd n GLN 104 Ca -0.20 0.62 -0.21 0.00 -2.00 0.00 0.00 57.00 55.21 3cmd n GLN 104 Cb 1.10 -2.26 -0.04 0.00 -4.06 0.00 0.00 30.24 24.98 3cmd n GLN 104 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3cmd s ASP 105 N 0.35 5.07 0.32 1.69 1.01 -1.26 -1.29 116.67 122.55 3cmd s ASP 105 Ca 0.73 -0.68 -0.16 0.00 0.71 0.00 0.00 52.55 53.16 3cmd s ASP 105 Cb -0.74 -0.72 0.03 0.00 1.01 0.00 0.00 42.92 42.50 3cmd s ASP 105 CO 0.48 -0.51 0.68 0.00 0.21 0.00 0.00 175.17 176.03 3cmd s ALA 106 N -2.42 -0.67 -0.00 5.23 0.00 0.62 -1.89 121.76 122.63 3cmd s ALA 106 Ca 0.44 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 3cmd s ALA 106 Cb -0.04 0.85 0.10 0.00 0.00 0.00 0.00 23.12 24.04 3cmd s ALA 106 CO 0.27 -0.96 0.92 0.00 0.00 0.00 0.00 175.76 175.98 3cmd s LEU 108 N -2.52 4.07 0.51 0.00 1.43 -1.26 -0.60 118.68 120.30 3cmd s LEU 108 Ca 0.06 0.75 0.17 0.00 -1.03 0.00 0.00 54.13 54.09 3cmd s LEU 108 Cb -0.01 -2.90 1.24 0.00 0.03 0.00 0.00 46.19 44.55 3cmd s LEU 108 CO -0.08 -0.40 2.09 1.23 0.23 0.00 0.00 176.35 179.43 3cmd h GLY 109 N 8.97 0.10 0.54 -3.19 0.00 -1.22 -0.48 103.07 107.80 3cmd h GLY 109 Ca -0.26 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3cmd h GLY 109 CO 0.79 0.03 -0.22 1.18 0.00 0.00 0.00 176.54 178.31 3cmd n GLU 110 N -4.49 0.71 0.00 4.80 1.02 -1.26 -5.02 120.64 116.40 3cmd n GLU 110 Ca 0.02 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 3cmd n GLU 110 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3cmd n GLU 110 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cmd n GLY 111 N 1.34 -0.94 3.78 0.62 0.00 -0.19 -5.00 105.19 104.80 3cmd n GLY 111 Ca 0.12 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 3cmd n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cmd s GLU 112 N -4.94 3.58 0.33 1.61 2.02 -1.26 -4.96 118.70 115.09 3cmd s GLU 112 Ca 0.00 1.56 0.07 0.00 0.02 0.00 0.00 54.97 56.62 3cmd s GLU 112 Cb 0.00 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 3cmd s GLU 112 CO 0.00 -0.65 0.28 0.20 0.02 0.00 0.00 175.26 175.11 3cmd s GLY 113 N -1.76 1.78 -0.30 -1.39 0.00 -1.26 -5.02 107.32 99.37 3cmd s GLY 113 Ca 0.69 -1.66 -0.02 0.00 0.00 0.00 0.00 44.72 43.73 3cmd s GLY 113 CO 0.26 -1.59 0.59 0.00 0.00 0.00 0.00 173.10 172.37 3cmd h LEU 115 N 8.01 0.00 0.00 0.00 -0.00 -1.93 -0.07 115.31 121.32 3cmd h LEU 115 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 3cmd h LEU 115 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 3cmd h LEU 115 CO 0.24 0.00 -0.37 0.28 -0.00 0.00 0.00 178.44 178.59 3cmd h SER 116 N 0.00 0.00 -3.87 -0.43 0.02 -1.93 -3.46 113.55 103.89 3cmd h SER 116 Ca 0.08 -0.11 -0.69 0.00 -0.84 0.00 0.00 61.79 60.23 3cmd h SER 116 Cb 1.04 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.37 3cmd h SER 116 CO -0.00 0.05 -0.74 0.54 -1.14 0.00 0.00 176.83 175.55 3cmd s VAL 117 N -3.16 3.36 -0.09 2.27 0.11 -0.04 -0.32 120.40 122.53 3cmd s VAL 117 Ca 0.08 -0.61 0.12 0.00 -2.93 0.00 0.00 61.98 58.63 3cmd s VAL 117 Cb 0.12 -2.34 -0.17 0.00 -1.53 0.00 0.00 36.38 32.46 3cmd s VAL 117 CO 0.68 0.59 0.11 0.47 -3.33 0.00 0.00 175.10 173.62 3cmd n ASP 118 N 2.27 1.92 -4.78 3.54 8.00 -1.26 -4.75 116.55 121.48 3cmd n ASP 118 Ca -0.18 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.00 3cmd n ASP 118 Cb 0.53 1.03 0.04 0.00 -0.02 0.00 0.00 41.12 42.70 3cmd n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cmd s ARG 119 N -2.48 2.92 -0.18 -1.24 1.70 -1.26 -5.01 118.95 113.40 3cmd s ARG 119 Ca -0.06 1.30 -0.16 0.00 -0.47 0.00 0.00 55.73 56.35 3cmd s ARG 119 Cb 0.05 -1.97 -0.04 0.00 -0.57 0.00 0.00 34.95 32.42 3cmd s ARG 119 CO 0.53 -1.14 0.40 -2.00 -1.08 0.00 0.00 175.30 172.00 3cmd s GLU 120 N -4.18 4.23 -0.33 3.89 -6.30 -1.26 -5.06 118.70 109.69 3cmd s GLU 120 Ca 0.65 0.23 -0.02 0.00 -2.50 0.00 0.00 54.97 53.34 3cmd s GLU 120 Cb -0.19 -3.49 0.07 0.00 0.00 0.00 0.00 34.13 30.52 3cmd s GLU 120 CO 0.42 0.06 0.05 0.08 0.02 0.00 0.00 175.26 175.89 3cmd s VAL 121 N 1.01 3.03 0.62 3.70 1.01 -1.26 -5.10 120.40 123.40 3cmd s VAL 121 Ca 0.20 -1.61 -0.19 0.00 0.00 0.00 0.00 61.98 60.39 3cmd s VAL 121 Cb -0.14 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 3cmd s VAL 121 CO 0.08 -0.28 1.27 -2.84 0.00 0.00 0.00 175.10 173.32 3cmd s PRO 122 N 1.20 2.73 0.00 2.72 0.02 -1.26 -4.93 135.00 135.48 3cmd s PRO 122 Ca -0.01 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.01 3cmd s PRO 122 Cb -0.20 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.42 3cmd s PRO 122 CO -0.02 -1.44 0.00 0.41 -0.33 0.00 0.00 177.00 175.62 3cmd n GLY 123 N 0.76 1.08 3.34 0.52 0.00 -1.26 -4.88 105.19 104.75 3cmd n GLY 123 Ca 0.15 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 3cmd n GLY 123 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cmd s TYR 124 N -1.08 2.27 -0.29 1.61 4.12 -0.05 -4.58 117.35 119.34 3cmd s TYR 124 Ca 0.00 -0.40 -0.02 0.00 0.02 0.00 0.00 57.07 56.67 3cmd s TYR 124 Cb 0.00 -1.34 0.04 0.00 -1.52 0.00 0.00 41.96 39.15 3cmd s TYR 124 CO 0.00 0.16 -0.01 0.08 0.02 0.00 0.00 175.55 175.79 3cmd s VAL 125 N -0.85 3.00 -0.05 0.71 1.01 -1.26 -4.58 120.40 118.37 3cmd s VAL 125 Ca 0.12 -1.27 -0.30 0.00 0.00 0.00 0.00 61.98 60.52 3cmd s VAL 125 Cb -0.10 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3cmd s VAL 125 CO 0.03 -0.03 1.23 -0.69 0.00 0.00 0.00 175.10 175.63 3cmd s VAL 126 N 1.28 4.19 0.36 2.92 1.01 -1.26 -4.43 120.40 124.46 3cmd s VAL 126 Ca -0.04 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.50 3cmd s VAL 126 Cb -0.19 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 3cmd s VAL 126 CO -0.02 -0.00 0.06 -0.13 0.00 0.00 0.00 175.10 175.02 3cmd s ARG 127 N 2.24 1.76 -0.06 2.72 1.81 0.11 -4.95 118.95 122.59 3cmd s ARG 127 Ca 0.57 -2.01 -0.30 0.00 -1.72 0.00 0.00 55.73 52.27 3cmd s ARG 127 Cb -0.25 -0.92 -0.02 0.00 -0.45 0.00 0.00 34.95 33.30 3cmd s ARG 127 CO 0.22 -0.24 1.03 -1.01 -0.68 0.00 0.00 175.30 174.62 3cmd s HIS 128 N -3.21 3.52 0.17 -0.53 3.76 -1.26 -0.28 115.29 117.46 3cmd s HIS 128 Ca 0.32 1.56 -0.14 0.00 -0.15 0.00 0.00 55.06 56.65 3cmd s HIS 128 Cb 0.07 -3.21 0.12 0.00 1.11 0.00 0.00 32.58 30.67 3cmd s HIS 128 CO 0.15 -0.35 1.75 0.00 -0.85 0.00 0.00 174.74 175.43 3cmd h ALA 129 N 7.03 0.52 -4.01 -1.40 0.00 -1.42 -3.43 119.26 116.53 3cmd h ALA 129 Ca -0.35 0.05 -0.59 0.00 0.00 0.00 0.00 54.91 54.02 3cmd h ALA 129 Cb 1.18 0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.75 3cmd h ALA 129 CO 0.82 -0.24 -0.84 0.15 0.00 0.00 0.00 179.25 179.14 3cmd s LYS 130 N -6.14 1.39 0.16 0.00 1.02 -1.26 -1.17 119.74 113.74 3cmd s LYS 130 Ca -0.13 -1.02 -0.06 0.00 0.02 0.00 0.00 55.97 54.78 3cmd s LYS 130 Cb 0.13 -1.55 -0.02 0.00 -0.52 0.00 0.00 37.83 35.87 3cmd s LYS 130 CO 0.72 0.39 0.22 0.96 -0.92 0.00 0.00 175.35 176.72 3cmd s ILE 131 N -0.88 0.07 -0.14 2.17 -4.36 -0.31 -0.99 121.20 116.75 3cmd s ILE 131 Ca 0.08 -1.59 -0.00 0.00 -0.26 0.00 0.00 60.65 58.87 3cmd s ILE 131 Cb -0.09 -1.98 0.03 0.00 1.25 0.00 0.00 42.46 41.67 3cmd s ILE 131 CO 0.02 -0.30 -0.07 -0.89 0.24 0.00 0.00 174.94 173.94 3cmd s THR 132 N -4.01 1.13 -0.02 8.37 2.01 -0.76 -0.08 115.64 122.27 3cmd s THR 132 Ca 0.21 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.72 3cmd s THR 132 Cb 0.05 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 3cmd s THR 132 CO 0.02 0.26 0.02 -0.69 -0.69 0.00 0.00 174.62 173.54 3cmd s VAL 133 N 1.65 4.31 -0.02 3.82 1.01 0.54 -0.35 120.40 131.36 3cmd s VAL 133 Ca 0.03 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.60 3cmd s VAL 133 Cb -0.14 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 3cmd s VAL 133 CO -0.08 0.43 -0.24 -0.55 0.00 0.00 0.00 175.10 174.65 3cmd s SER 134 N -1.43 2.82 0.07 3.32 0.15 -0.35 -1.14 113.70 117.14 3cmd s SER 134 Ca 0.19 -0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.28 3cmd s SER 134 Cb -0.12 -0.37 0.04 0.00 -1.71 0.00 0.00 66.02 63.87 3cmd s SER 134 CO 0.09 0.29 0.57 0.00 1.20 0.00 0.00 173.24 175.39 3cmd n TYR 135 N 2.55 -0.80 -5.13 3.44 0.18 -0.57 -1.21 117.16 115.62 3cmd n TYR 135 Ca -0.16 -0.59 -0.29 0.00 1.88 0.00 0.00 57.90 58.74 3cmd n TYR 135 Cb 0.52 0.28 -0.16 0.00 -0.38 0.00 0.00 39.34 39.60 3cmd n TYR 135 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 3cmd s TYR 136 N -3.59 2.05 0.33 -3.48 1.51 -0.74 -0.36 117.35 113.07 3cmd s TYR 136 Ca 0.13 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 3cmd s TYR 136 Cb -0.01 -1.33 0.07 0.00 -0.11 0.00 0.00 41.96 40.58 3cmd s TYR 136 CO 0.02 -0.05 0.45 -0.40 -1.11 0.00 0.00 175.55 174.46 3cmd n ASP 137 N 2.57 0.48 0.29 2.29 5.68 -0.16 -1.15 116.55 126.54 3cmd n ASP 137 Ca -0.16 -1.44 0.18 0.00 -0.50 0.00 0.00 54.79 52.88 3cmd n ASP 137 Cb 0.52 -0.30 0.78 0.00 -1.14 0.00 0.00 41.12 40.97 3cmd n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3cmd h MET 138 N 0.00 0.00 0.00 0.11 2.86 -1.89 -2.37 114.93 113.63 3cmd h MET 138 Ca -0.15 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.42 3cmd h MET 138 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3cmd h MET 138 CO 0.15 0.00 -0.36 -0.91 1.06 0.00 0.00 176.91 176.85 3cmd h ASN 139 N 0.00 0.00 0.00 1.22 2.35 -1.99 -3.47 115.58 113.69 3cmd h ASN 139 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3cmd h ASN 139 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3cmd h ASN 139 CO 0.00 0.36 0.00 0.61 -1.65 0.00 0.00 177.43 176.75 3cmd n GLY 140 N 0.60 0.36 3.76 2.83 0.00 -0.89 -5.02 105.19 106.83 3cmd n GLY 140 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3cmd n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cmd s GLU 141 N -0.91 4.51 -0.11 1.61 2.02 -1.26 -4.75 118.70 119.81 3cmd s GLU 141 Ca 0.00 2.00 -0.11 0.00 0.02 0.00 0.00 54.97 56.88 3cmd s GLU 141 Cb 0.00 -3.13 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 3cmd s GLU 141 CO 0.00 0.02 0.24 0.21 0.02 0.00 0.00 175.26 175.75 3cmd s LYS 142 N -1.59 3.81 0.14 1.61 2.20 -1.26 -0.99 119.74 123.66 3cmd s LYS 142 Ca 0.47 0.05 0.07 0.00 -0.36 0.00 0.00 55.97 56.19 3cmd s LYS 142 Cb -0.36 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 3cmd s LYS 142 CO 0.47 0.59 -0.16 -1.01 -0.36 0.00 0.00 175.35 174.88 3cmd s HIS 143 N -0.58 1.56 -0.12 4.03 3.76 0.52 -4.97 115.29 119.49 3cmd s HIS 143 Ca 0.17 -0.53 -0.03 0.00 -0.15 0.00 0.00 55.06 54.52 3cmd s HIS 143 Cb -0.13 -0.80 0.05 0.00 1.11 0.00 0.00 32.58 32.81 3cmd s HIS 143 CO 0.06 0.22 0.06 0.21 -0.85 0.00 0.00 174.74 174.44 3cmd s LYS 144 N -2.77 0.18 0.02 1.40 2.20 -1.25 -1.51 119.74 117.99 3cmd s LYS 144 Ca 0.12 0.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.79 3cmd s LYS 144 Cb -0.05 -1.36 -0.01 0.00 -1.51 0.00 0.00 37.83 34.89 3cmd s LYS 144 CO 0.04 -0.52 -0.08 0.96 -0.36 0.00 0.00 175.35 175.40 3cmd s ILE 145 N 2.09 0.60 -0.13 5.43 -4.36 -0.29 -4.95 121.20 119.58 3cmd s ILE 145 Ca 0.03 -0.66 -0.15 0.00 -0.26 0.00 0.00 60.65 59.61 3cmd s ILE 145 Cb -0.14 -0.57 -0.05 0.00 1.25 0.00 0.00 42.46 42.95 3cmd s ILE 145 CO -0.07 -0.07 0.37 -0.13 0.24 0.00 0.00 174.94 175.28 3cmd s ARG 146 N -0.80 4.24 0.11 0.37 1.81 -1.26 -0.34 118.95 123.09 3cmd s ARG 146 Ca -0.02 0.25 0.08 0.00 -1.72 0.00 0.00 55.73 54.31 3cmd s ARG 146 Cb -0.06 -3.41 -0.04 0.00 -0.45 0.00 0.00 34.95 31.00 3cmd s ARG 146 CO 0.00 0.26 -0.19 -0.51 -0.68 0.00 0.00 175.30 174.19 3cmd s LEU 147 N 0.36 2.34 0.12 2.53 1.43 0.88 -4.99 118.68 121.34 3cmd s LEU 147 Ca 0.20 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3cmd s LEU 147 Cb -0.14 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 3cmd s LEU 147 CO 0.07 -0.00 0.03 -1.59 0.23 0.00 0.00 176.35 175.09 3cmd s LYS 148 N -2.16 0.87 3.56 1.70 -2.85 -1.26 -1.16 119.74 118.44 3cmd s LYS 148 Ca 0.07 -1.40 0.00 0.00 -1.00 0.00 0.00 55.97 53.65 3cmd s LYS 148 Cb -0.09 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 3cmd s LYS 148 CO 0.04 -0.22 0.00 0.09 0.10 0.00 0.00 175.35 175.37 3cmd n ASN 149 N -0.06 0.00 -0.01 0.03 5.03 -0.32 -2.70 115.26 117.24 3cmd n ASN 149 Ca -0.07 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.28 3cmd n ASN 149 Cb 0.63 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.36 3cmd n ASN 149 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3cmd h TYR 150 N 0.00 -0.74 -0.84 3.10 3.20 -1.98 0.03 116.97 119.74 3cmd h TYR 150 Ca 0.00 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.98 3cmd h TYR 150 Cb 0.00 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 38.56 3cmd h TYR 150 CO 0.00 -0.35 0.55 0.93 -1.64 0.00 0.00 178.16 177.65 3cmd h GLU 151 N -0.33 0.88 -0.59 1.82 5.08 -1.92 0.17 114.58 119.68 3cmd h GLU 151 Ca 0.11 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3cmd h GLU 151 Cb 0.49 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3cmd h GLU 151 CO -0.34 0.58 0.04 1.03 -1.00 0.00 0.00 179.01 179.33 3cmd h SER 152 N 0.91 0.97 -0.17 1.42 0.87 -1.08 -1.58 113.55 114.89 3cmd h SER 152 Ca 0.37 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 3cmd h SER 152 Cb 0.26 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3cmd h SER 152 CO -0.14 1.00 -0.05 0.40 -0.53 0.00 0.00 176.83 177.51 3cmd h ILE 153 N 0.93 1.30 -0.14 2.23 2.04 0.78 -1.50 117.51 123.15 3cmd h ILE 153 Ca 0.18 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 65.02 3cmd h ILE 153 Cb 0.48 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 3cmd h ILE 153 CO 0.02 0.31 -0.06 0.58 0.00 0.00 0.00 178.15 179.00 3cmd h VAL 154 N 0.02 0.79 -0.55 1.67 2.07 -0.58 0.10 116.25 119.77 3cmd h VAL 154 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3cmd h VAL 154 Cb 0.50 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3cmd h VAL 154 CO 0.02 0.00 0.31 0.58 0.02 0.00 0.00 177.57 178.50 3cmd h VAL 155 N -0.05 1.18 -0.70 2.57 2.07 -1.27 -0.46 116.25 119.58 3cmd h VAL 155 Ca 0.08 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3cmd h VAL 155 Cb 0.16 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3cmd h VAL 155 CO -0.17 0.19 0.42 1.56 0.02 0.00 0.00 177.57 179.59 3cmd h GLN 156 N 0.74 0.95 -0.67 1.57 4.20 -0.94 -0.27 115.11 120.69 3cmd h GLN 156 Ca 0.20 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 3cmd h GLN 156 Cb 0.03 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 3cmd h GLN 156 CO -0.03 0.67 0.09 1.25 -0.67 0.00 0.00 178.83 180.14 3cmd h HIS 157 N 0.97 1.19 -0.16 2.96 2.76 0.05 -2.37 115.15 120.56 3cmd h HIS 157 Ca 0.25 -0.17 -0.16 0.00 -2.20 0.00 0.00 60.37 58.09 3cmd h HIS 157 Cb -0.04 -0.32 0.01 0.00 1.55 0.00 0.00 27.41 28.60 3cmd h HIS 157 CO 0.00 1.00 -0.52 0.93 -1.30 0.00 0.00 177.93 178.04 3cmd h GLU 158 N 1.04 0.64 -0.21 5.26 4.39 -0.34 -3.10 114.58 122.26 3cmd h GLU 158 Ca 0.20 -0.47 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 3cmd h GLU 158 Cb 0.47 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 3cmd h GLU 158 CO 0.02 1.09 0.01 0.82 -1.16 0.00 0.00 179.01 179.79 3cmd h ILE 159 N 0.30 1.13 -0.96 3.13 2.04 -1.06 0.19 117.51 122.29 3cmd h ILE 159 Ca -0.02 -0.47 0.07 0.00 1.00 0.00 0.00 64.86 65.44 3cmd h ILE 159 Cb 1.15 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 38.12 3cmd h ILE 159 CO 0.11 0.16 0.61 0.44 0.00 0.00 0.00 178.15 179.47 3cmd h ASP 160 N 0.30 0.96 -0.94 1.72 3.32 -1.35 -1.91 116.42 118.52 3cmd h ASP 160 Ca 0.07 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.19 3cmd h ASP 160 Cb 0.18 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 3cmd h ASP 160 CO 0.00 0.60 0.60 0.45 -1.72 0.00 0.00 179.24 179.18 3cmd h HIS 161 N 1.09 1.12 0.00 4.55 3.86 -0.91 0.74 115.15 125.60 3cmd h HIS 161 Ca 0.42 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 3cmd h HIS 161 Cb 0.20 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.30 3cmd h HIS 161 CO -0.01 0.60 0.00 0.44 0.86 0.00 0.00 177.93 179.82 3cmd n ILE 162 N -4.53 0.00 -0.34 2.45 -5.35 -0.73 -2.47 119.36 108.38 3cmd n ILE 162 Ca 0.13 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.65 3cmd n ILE 162 Cb 0.15 -0.46 0.08 0.00 -1.74 0.00 0.00 39.64 37.67 3cmd n ILE 162 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3cmd n ASN 163 N -0.91 2.40 -0.89 7.28 3.02 -0.31 -1.19 115.26 124.66 3cmd n ASN 163 Ca 0.18 -2.32 -0.09 0.00 -0.03 0.00 0.00 54.58 52.32 3cmd n ASN 163 Cb 0.08 -0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.05 3cmd n ASN 163 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cmd n GLY 164 N -0.51 0.56 3.44 7.41 0.00 -0.95 -4.66 105.19 110.47 3cmd n GLY 164 Ca 0.07 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 3cmd n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cmd s VAL 165 N -2.41 3.49 0.10 1.61 1.01 0.10 -4.56 120.40 119.74 3cmd s VAL 165 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3cmd s VAL 165 Cb 0.00 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3cmd s VAL 165 CO 0.00 0.51 0.24 -0.04 0.00 0.00 0.00 175.10 175.81 3cmd s MET 166 N 0.37 3.44 0.28 2.72 -1.94 -1.26 -3.35 119.30 119.56 3cmd s MET 166 Ca -0.07 -0.51 -0.03 0.00 -1.71 0.00 0.00 55.69 53.37 3cmd s MET 166 Cb -0.15 -3.01 0.38 0.00 2.01 0.00 0.00 34.83 34.06 3cmd s MET 166 CO 0.04 0.57 1.94 0.27 -0.01 0.00 0.00 175.02 177.83 3cmd h PHE 167 N 2.68 1.15 0.00 -0.03 -5.15 -1.97 -1.77 116.94 111.84 3cmd h PHE 167 Ca -0.46 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 3cmd h PHE 167 Cb 1.17 -0.39 0.00 0.00 0.22 0.00 0.00 35.95 36.96 3cmd h PHE 167 CO 0.58 0.69 0.00 2.48 -2.00 0.00 0.00 178.31 180.06 3cmd n TYR 168 N -4.42 0.00 0.38 6.09 0.18 -1.26 -1.61 117.16 116.52 3cmd n TYR 168 Ca 0.12 0.00 0.14 0.00 1.88 0.00 0.00 57.90 60.03 3cmd n TYR 168 Cb 0.06 -0.27 0.48 0.00 -0.38 0.00 0.00 39.34 39.24 3cmd n TYR 168 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 3cmd h ASP 169 N 0.00 0.00 0.33 9.48 3.32 -1.73 -2.64 116.42 125.17 3cmd h ASP 169 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3cmd h ASP 169 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3cmd h ASP 169 CO 0.00 0.00 -0.41 1.41 -1.72 0.00 0.00 179.24 178.52 3cmd n HIS 170 N -2.65 0.00 -3.43 4.55 8.25 -0.63 -4.84 115.22 116.48 3cmd n HIS 170 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 3cmd n HIS 170 Cb 0.34 -0.16 -0.09 0.00 1.12 0.00 0.00 29.99 31.19 3cmd n HIS 170 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3cmd s ILE 171 N -2.74 5.20 -0.36 1.59 1.01 -1.00 -4.71 121.20 120.19 3cmd s ILE 171 Ca 0.18 0.45 -0.28 0.00 0.00 0.00 0.00 60.65 61.00 3cmd s ILE 171 Cb 0.18 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 3cmd s ILE 171 CO 0.62 0.15 1.94 0.21 0.00 0.00 0.00 174.94 177.86 3cmd s ASN 172 N 1.67 5.61 0.50 3.58 3.84 -1.26 -4.84 114.94 124.04 3cmd s ASN 172 Ca 0.13 1.28 0.30 0.00 0.21 0.00 0.00 52.86 54.78 3cmd s ASN 172 Cb -0.16 -2.52 1.41 0.00 -0.55 0.00 0.00 41.25 39.43 3cmd s ASN 172 CO 0.10 -1.94 1.82 -0.78 -2.79 0.00 0.00 177.10 173.51 3cmd h ASP 173 N 14.12 0.13 0.00 -4.21 1.82 -1.95 -1.03 116.42 125.30 3cmd h ASP 173 Ca -0.33 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 3cmd h ASP 173 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 3cmd h ASP 173 CO 1.05 0.03 -1.05 0.00 -1.61 0.00 0.00 179.24 177.66 3cmd n GLN 174 N -4.33 0.16 -3.16 0.28 6.02 -1.26 -4.50 117.38 110.58 3cmd n GLN 174 Ca 0.24 -0.01 -0.19 0.00 -0.01 0.00 0.00 57.00 57.02 3cmd n GLN 174 Cb 1.07 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 30.81 3cmd n GLN 174 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3cmd n ASN 175 N -1.54 0.41 -0.26 1.08 2.85 -0.59 -5.00 115.26 112.21 3cmd n ASN 175 Ca 0.03 -2.94 0.18 0.00 -0.11 0.00 0.00 54.58 51.75 3cmd n ASN 175 Cb 0.34 -0.47 0.49 0.00 1.24 0.00 0.00 39.78 41.38 3cmd n ASN 175 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3cmd h PRO 176 N 3.34 0.44 -0.43 1.20 0.11 -1.46 -2.90 132.00 132.30 3cmd h PRO 176 Ca 0.08 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.06 3cmd h PRO 176 Cb 0.95 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.90 3cmd h PRO 176 CO 0.47 0.29 0.06 1.19 -0.21 0.00 0.00 178.00 179.80 3cmd n PHE 177 N -4.54 1.45 -2.20 0.65 3.72 -1.26 -0.87 117.46 114.41 3cmd n PHE 177 Ca 0.20 -1.11 -0.41 0.00 -0.05 0.00 0.00 57.45 56.07 3cmd n PHE 177 Cb 0.69 -0.47 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 3cmd n PHE 177 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3cmd s ALA 178 N -2.96 3.54 -0.04 4.37 0.00 -1.10 -4.92 121.76 120.65 3cmd s ALA 178 Ca 0.47 1.12 -0.07 0.00 0.00 0.00 0.00 51.96 53.48 3cmd s ALA 178 Cb 0.39 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 20.02 3cmd s ALA 178 CO 0.09 -0.56 0.18 -0.51 0.00 0.00 0.00 175.76 174.95 3cmd s LEU 179 N 0.03 1.36 0.00 0.00 1.43 -1.26 -4.94 118.68 115.30 3cmd s LEU 179 Ca 0.58 0.14 -0.17 0.00 -1.03 0.00 0.00 54.13 53.65 3cmd s LEU 179 Cb -0.37 0.69 0.24 0.00 0.03 0.00 0.00 46.19 46.78 3cmd s LEU 179 CO 0.37 -0.20 1.18 0.29 0.23 0.00 0.00 176.35 178.23 3cmd n LYS 180 N 2.31 -1.88 -1.83 1.70 4.76 -1.26 -5.01 118.16 116.96 3cmd n LYS 180 Ca -0.17 -1.85 -0.32 0.00 -2.87 0.00 0.00 58.31 53.10 3cmd n LYS 180 Cb 0.57 -1.39 0.03 0.00 -1.84 0.00 0.00 35.03 32.41 3cmd n LYS 180 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3cmd s GLU 181 N -5.62 3.03 -1.70 1.97 2.02 -1.26 -3.95 118.70 113.20 3cmd s GLU 181 Ca 0.70 1.21 -0.17 0.00 0.02 0.00 0.00 54.97 56.74 3cmd s GLU 181 Cb -0.04 -1.99 0.15 0.00 0.10 0.00 0.00 34.13 32.35 3cmd s GLU 181 CO 0.51 -1.05 0.68 0.41 0.02 0.00 0.00 175.26 175.83 3cmd n GLY 182 N -1.03 -0.40 3.70 -1.39 0.00 -1.26 -4.93 105.19 99.88 3cmd n GLY 182 Ca 0.09 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 3cmd n GLY 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cmd s VAL 183 N -3.41 5.12 -0.39 1.61 1.01 -1.25 -4.72 120.40 118.36 3cmd s VAL 183 Ca 0.64 1.09 -0.29 0.00 0.00 0.00 0.00 61.98 63.43 3cmd s VAL 183 Cb -0.36 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.15 3cmd s VAL 183 CO 0.94 0.26 1.41 -0.22 0.00 0.00 0.00 175.10 177.49 3cmd s LEU 184 N 0.99 3.62 -0.35 3.92 2.96 -0.79 -4.93 118.68 124.09 3cmd s LEU 184 Ca 0.29 0.89 -0.14 0.00 -0.22 0.00 0.00 54.13 54.95 3cmd s LEU 184 Cb -0.16 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 3cmd s LEU 184 CO 0.12 -1.40 0.27 0.54 -1.32 0.00 0.00 176.35 174.56 3cmd s VAL 185 N 5.35 5.26 -0.11 1.68 0.11 -1.26 -1.43 120.40 130.00 3cmd s VAL 185 Ca 0.61 -0.25 -0.16 0.00 -2.93 0.00 0.00 61.98 59.25 3cmd s VAL 185 Cb -0.14 -3.77 -0.05 0.00 -1.53 0.00 0.00 36.38 30.89 3cmd s VAL 185 CO 0.32 -0.08 0.41 -0.63 -3.33 0.00 0.00 175.10 171.79 3cmd s ILE 186 N 1.77 5.19 0.00 7.04 1.01 0.23 -4.79 121.20 131.65 3cmd s ILE 186 Ca 0.07 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.54 3cmd s ILE 186 Cb -0.18 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.55 3cmd s ILE 186 CO 0.11 0.39 0.00 -1.84 0.00 0.00 0.00 174.94 173.60