#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4p h VAL 3 N 0.00 0.86 -0.18 0.00 2.07 -2.06 -0.40 116.25 116.54 1m4p h VAL 3 Ca 0.00 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1m4p h VAL 3 Cb 0.00 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.68 1m4p h VAL 3 CO 0.00 0.16 0.10 -1.28 0.02 0.00 0.00 177.57 176.57 1m4p h SER 4 N 0.86 0.23 -0.86 0.57 0.87 -1.98 -2.56 113.55 110.69 1m4p h SER 4 Ca 0.50 -0.10 0.22 0.00 -1.23 0.00 0.00 61.79 61.18 1m4p h SER 4 Cb 0.64 -0.06 -0.15 0.00 -0.44 0.00 0.00 62.40 62.39 1m4p h SER 4 CO -0.27 0.26 0.11 -0.08 -0.53 0.00 0.00 176.83 176.33 1m4p h GLU 5 N 0.19 0.13 -0.66 2.24 4.81 -1.47 1.81 114.58 121.62 1m4p h GLU 5 Ca 0.06 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1m4p h GLU 5 Cb 0.08 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1m4p h GLU 5 CO -0.01 0.08 0.27 0.77 -0.73 0.00 0.00 179.01 179.39 1m4p h SER 6 N 0.13 0.88 1.85 1.04 0.02 -1.21 -1.24 113.55 115.03 1m4p h SER 6 Ca 0.51 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1m4p h SER 6 Cb 1.01 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1m4p h SER 6 CO -0.71 0.79 0.00 -0.61 -1.14 0.00 0.00 176.83 175.15 1m4p h GLN 7 N 0.95 0.00 -0.43 3.45 4.15 0.16 -3.11 115.11 120.27 1m4p h GLN 7 Ca 0.22 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.52 1m4p h GLN 7 Cb 0.18 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1m4p h GLN 7 CO -0.02 0.00 -0.22 1.25 -1.93 0.00 0.00 178.83 177.91 1m4p h LEU 8 N 0.00 0.94 -0.47 -2.39 5.85 0.34 0.80 115.31 120.38 1m4p h LEU 8 Ca 0.00 -0.41 -0.10 0.00 0.84 0.00 0.00 57.88 58.21 1m4p h LEU 8 Cb 0.93 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1m4p h LEU 8 CO 0.00 1.14 -0.10 0.50 -0.34 0.00 0.00 178.44 179.65 1m4p h LYS 9 N 0.74 0.89 0.00 1.25 3.64 -1.43 -2.10 116.57 119.56 1m4p h LYS 9 Ca 0.09 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1m4p h LYS 9 Cb 0.80 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1m4p h LYS 9 CO 0.07 0.98 0.00 1.17 -2.27 0.00 0.00 179.45 179.40 1m4p n LYS 10 N -4.26 0.12 0.12 1.90 3.00 -1.13 -2.63 118.16 115.28 1m4p n LYS 10 Ca 0.00 0.11 0.13 0.00 -0.00 0.00 0.00 58.31 58.55 1m4p n LYS 10 Cb 0.38 -1.64 0.40 0.00 0.00 0.00 0.00 35.03 34.17 1m4p n LYS 10 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1m4p h MET 11 N 0.00 0.00 0.00 1.64 4.05 0.13 -3.43 114.93 117.32 1m4p h MET 11 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1m4p h MET 11 Cb 0.59 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1m4p h MET 11 CO 0.00 0.00 0.00 1.33 0.23 0.00 0.00 176.91 178.47 1m4p n VAL 12 N -2.37 0.00 -1.49 -5.77 0.24 -1.12 -4.84 118.33 102.98 1m4p n VAL 12 Ca 0.05 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.18 1m4p n VAL 12 Cb 0.41 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.71 1m4p n VAL 12 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1m4p n SER 13 N 0.00 -4.37 0.00 -1.34 2.88 -1.08 -4.51 113.62 105.21 1m4p n SER 13 Ca 0.00 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1m4p n SER 13 Cb 0.00 -3.95 0.00 0.00 -0.75 0.00 0.00 64.21 59.51 1m4p n SER 13 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1m4p n LYS 14 N -2.11 0.00 -0.88 -1.46 4.81 -1.26 -5.04 118.16 112.23 1m4p n LYS 14 Ca -0.17 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.00 1m4p n LYS 14 Cb 0.55 -0.22 0.01 0.00 0.02 0.00 0.00 35.03 35.38 1m4p n LYS 14 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1m4p n TYR 15 N -2.02 -2.04 -0.36 5.64 4.02 -1.26 -4.70 117.16 116.43 1m4p n TYR 15 Ca 0.00 0.32 0.05 0.00 -0.01 0.00 0.00 57.90 58.26 1m4p n TYR 15 Cb 0.00 -1.18 0.12 0.00 -0.02 0.00 0.00 39.34 38.26 1m4p n TYR 15 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1m4p n LYS 16 N 1.06 -0.12 -3.05 -0.72 4.81 -1.26 -2.17 118.16 116.72 1m4p n LYS 16 Ca 0.06 1.56 -0.20 0.00 -0.87 0.00 0.00 58.31 58.85 1m4p n LYS 16 Cb 0.33 -2.32 -0.03 0.00 0.02 0.00 0.00 35.03 33.03 1m4p n LYS 16 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1m4p n TYR 17 N -5.60 1.57 -0.40 5.64 4.01 -1.26 -4.91 117.16 116.20 1m4p n TYR 17 Ca 0.15 -3.77 0.39 0.00 -0.16 0.00 0.00 57.90 54.51 1m4p n TYR 17 Cb 0.48 -0.43 0.72 0.00 -0.31 0.00 0.00 39.34 39.81 1m4p n TYR 17 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1m4p h ARG 18 N 2.98 0.00 0.31 -0.72 -0.00 -1.73 0.63 114.38 115.86 1m4p h ARG 18 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.07 1m4p h ARG 18 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.81 1m4p h ARG 18 CO 0.61 0.00 -0.15 0.38 -0.00 0.00 0.00 179.97 180.81 1m4p h ASP 19 N 0.00 -0.36 -0.94 0.08 2.03 -1.91 0.15 116.42 115.47 1m4p h ASP 19 Ca 0.65 -0.18 0.04 0.00 -0.73 0.00 0.00 57.03 56.81 1m4p h ASP 19 Cb 2.83 0.09 -0.06 0.00 -0.83 0.00 0.00 39.33 41.36 1m4p h ASP 19 CO -0.01 0.08 0.61 0.25 -1.03 0.00 0.00 179.24 179.15 1m4p h LEU 20 N -0.90 1.02 -0.00 0.15 5.85 -0.35 0.32 115.31 121.39 1m4p h LEU 20 Ca -0.04 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1m4p h LEU 20 Cb 0.52 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1m4p h LEU 20 CO 0.07 0.69 0.00 0.74 -0.34 0.00 0.00 178.44 179.60 1m4p h THR 21 N 1.18 1.10 -0.34 1.05 2.02 -0.45 1.07 112.91 118.55 1m4p h THR 21 Ca 0.38 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1m4p h THR 21 Cb 0.02 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1m4p h THR 21 CO -0.13 0.08 0.21 0.58 0.37 0.00 0.00 175.52 176.63 1m4p h VAL 22 N -0.12 1.07 -0.02 3.16 2.07 -0.11 1.08 116.25 123.39 1m4p h VAL 22 Ca 0.00 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1m4p h VAL 22 Cb 0.12 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1m4p h VAL 22 CO -0.00 0.08 -0.36 -0.09 0.02 0.00 0.00 177.57 177.22 1m4p h ARG 23 N 0.43 0.03 0.01 1.57 2.43 -0.19 0.16 114.38 118.82 1m4p h ARG 23 Ca 0.13 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 59.06 1m4p h ARG 23 Cb -0.03 -0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1m4p h ARG 23 CO -0.04 0.39 -0.87 0.93 -1.51 0.00 0.00 179.97 178.87 1m4p h GLU 24 N 0.03 0.57 0.35 0.20 4.39 0.22 -2.26 114.58 118.08 1m4p h GLU 24 Ca 0.00 -0.63 -0.02 0.00 0.34 0.00 0.00 59.36 59.05 1m4p h GLU 24 Cb 0.66 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1m4p h GLU 24 CO 0.05 1.24 -0.17 1.15 -1.16 0.00 0.00 179.01 180.12 1m4p h THR 25 N 0.17 0.55 -1.00 1.13 2.02 0.14 -2.57 112.91 113.36 1m4p h THR 25 Ca -0.11 -0.66 0.17 0.00 0.77 0.00 0.00 66.41 66.58 1m4p h THR 25 Cb 1.55 0.83 -0.10 0.00 -1.74 0.00 0.00 68.15 68.69 1m4p h THR 25 CO 0.17 0.11 0.61 -0.37 0.37 0.00 0.00 175.52 176.41 1m4p h VAL 26 N -0.89 0.78 -0.43 3.16 -1.51 -0.82 0.14 116.25 116.68 1m4p h VAL 26 Ca -0.05 -0.29 0.06 0.00 -1.23 0.00 0.00 66.70 65.19 1m4p h VAL 26 Cb 0.53 -0.13 -0.05 0.00 -2.13 0.00 0.00 31.29 29.50 1m4p h VAL 26 CO 0.08 0.15 0.13 0.78 -1.23 0.00 0.00 177.57 177.48 1m4p h ASN 27 N 0.84 0.10 0.09 4.19 4.21 -1.34 1.35 115.58 125.02 1m4p h ASN 27 Ca 0.55 0.06 -0.00 0.00 1.21 0.00 0.00 56.30 58.11 1m4p h ASN 27 Cb 0.75 0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 38.01 1m4p h ASN 27 CO -0.34 0.09 -0.07 0.58 -1.29 0.00 0.00 177.43 176.40 1m4p h VAL 28 N 0.28 0.00 -0.68 2.81 2.07 -0.33 0.32 116.25 120.72 1m4p h VAL 28 Ca 0.20 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.92 1m4p h VAL 28 Cb 0.22 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 1m4p h VAL 28 CO -0.23 0.00 0.54 0.16 0.02 0.00 0.00 177.57 178.06 1m4p h ILE 29 N -0.15 0.53 0.00 4.57 3.07 -1.20 1.45 117.51 125.77 1m4p h ILE 29 Ca -0.01 0.00 -0.03 0.00 1.55 0.00 0.00 64.86 66.37 1m4p h ILE 29 Cb 0.13 0.61 -0.00 0.00 -0.27 0.00 0.00 36.82 37.28 1m4p h ILE 29 CO 0.01 0.00 -0.14 0.74 -1.05 0.00 0.00 178.15 177.70 1m4p h THR 30 N 0.00 0.42 0.04 0.16 2.02 0.26 1.42 112.91 117.23 1m4p h THR 30 Ca 0.32 -0.81 -0.30 0.00 0.77 0.00 0.00 66.41 66.40 1m4p h THR 30 Cb 1.40 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 1m4p h THR 30 CO -0.00 0.14 -1.63 -0.11 0.37 0.00 0.00 175.52 174.29 1m4p n LEU 31 N -3.37 2.15 -0.05 2.58 7.94 0.48 -4.73 117.00 122.00 1m4p n LEU 31 Ca -0.00 0.33 -0.04 0.00 -1.11 0.00 0.00 56.01 55.19 1m4p n LEU 31 Cb 0.34 -1.01 -0.01 0.00 0.53 0.00 0.00 43.42 43.28 1m4p n LEU 31 CO 0.31 0.50 -0.28 -1.22 -1.11 0.00 0.00 177.39 175.59 1m4p n TYR 32 N -4.08 0.45 -0.60 1.96 4.01 0.07 -5.00 117.16 113.98 1m4p n TYR 32 Ca -0.34 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1m4p n TYR 32 Cb 0.82 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 1m4p n TYR 32 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1m4p n LYS 33 N -3.78 0.00 -0.01 -0.72 4.81 0.48 -4.89 118.16 114.06 1m4p n LYS 33 Ca -0.06 0.06 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1m4p n LYS 33 Cb 0.21 -1.90 -0.09 0.00 0.02 0.00 0.00 35.03 33.26 1m4p n LYS 33 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1m4p n ASP 34 N 0.22 2.23 -4.89 3.14 9.92 -1.26 -5.00 116.55 120.90 1m4p n ASP 34 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.97 1m4p n ASP 34 Cb 0.00 1.51 0.06 0.00 -0.64 0.00 0.00 41.12 42.04 1m4p n ASP 34 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1m4p s LEU 35 N -3.91 2.80 -0.23 0.64 1.02 -1.26 -3.41 118.68 114.33 1m4p s LEU 35 Ca -0.05 0.98 -0.09 0.00 0.02 0.00 0.00 54.13 54.99 1m4p s LEU 35 Cb 0.07 -3.68 0.10 0.00 0.02 0.00 0.00 46.19 42.70 1m4p s LEU 35 CO 0.50 -1.50 0.51 -0.75 0.02 0.00 0.00 176.35 175.13 1m4p s LYS 36 N -5.40 0.44 0.02 1.70 2.47 0.47 -4.88 119.74 114.56 1m4p s LYS 36 Ca 0.59 1.14 -0.30 0.00 -1.56 0.00 0.00 55.97 55.84 1m4p s LYS 36 Cb -0.11 0.42 -0.05 0.00 -1.46 0.00 0.00 37.83 36.64 1m4p s LYS 36 CO 0.50 -0.22 1.18 -1.25 0.16 0.00 0.00 175.35 175.73 1m4p s PRO 37 N 2.45 4.42 0.24 4.03 0.04 -1.26 0.30 135.00 145.22 1m4p s PRO 37 Ca -0.05 1.71 0.08 0.00 0.04 0.00 0.00 61.00 62.78 1m4p s PRO 37 Cb -0.11 -3.42 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 1m4p s PRO 37 CO -0.15 -0.29 -0.11 0.54 0.04 0.00 0.00 177.00 177.03 1m4p s VAL 38 N 1.37 1.75 -0.19 -0.36 0.11 0.47 -4.94 120.40 118.61 1m4p s VAL 38 Ca 0.57 -2.19 0.01 0.00 -2.93 0.00 0.00 61.98 57.44 1m4p s VAL 38 Cb -0.27 -2.22 0.02 0.00 -1.53 0.00 0.00 36.38 32.38 1m4p s VAL 38 CO 0.27 -0.47 -0.19 -0.22 -3.33 0.00 0.00 175.10 171.16 1m4p s LEU 39 N -3.38 2.23 0.15 2.54 1.98 -1.26 0.13 118.68 121.07 1m4p s LEU 39 Ca 0.26 -0.69 0.05 0.00 -2.89 0.00 0.00 54.13 50.85 1m4p s LEU 39 Cb 0.01 -1.49 -0.04 0.00 0.66 0.00 0.00 46.19 45.32 1m4p s LEU 39 CO 0.09 -0.01 -0.10 1.51 -1.89 0.00 0.00 176.35 175.95 1m4p s ASP 40 N 1.28 1.85 -0.07 3.68 1.47 -1.01 -4.96 116.67 118.91 1m4p s ASP 40 Ca 0.04 -1.02 -0.03 0.00 1.18 0.00 0.00 52.55 52.72 1m4p s ASP 40 Cb -0.13 -0.02 0.04 0.00 -0.34 0.00 0.00 42.92 42.47 1m4p s ASP 40 CO -0.12 -0.33 0.14 -0.55 0.68 0.00 0.00 175.17 175.00 1m4p s SER 41 N -3.18 0.14 0.16 2.11 0.15 -1.26 -2.17 113.70 109.65 1m4p s SER 41 Ca 0.17 0.30 -0.14 0.00 0.70 0.00 0.00 55.95 56.98 1m4p s SER 41 Cb 0.02 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1m4p s SER 41 CO 0.01 -0.17 0.39 -0.47 1.20 0.00 0.00 173.24 174.20 1m4p s TYR 42 N 1.48 0.01 0.24 3.44 5.04 0.99 -4.84 117.35 123.70 1m4p s TYR 42 Ca -0.06 -0.36 -0.30 0.00 -2.44 0.00 0.00 57.07 53.91 1m4p s TYR 42 Cb -0.12 0.20 -0.09 0.00 0.35 0.00 0.00 41.96 42.30 1m4p s TYR 42 CO -0.06 -0.77 0.99 0.14 -1.34 0.00 0.00 175.55 174.51 1m4p s VAL 43 N -3.87 3.93 0.10 3.14 -7.23 -1.26 0.96 120.40 116.16 1m4p s VAL 43 Ca 0.09 1.92 0.00 0.00 -1.81 0.00 0.00 61.98 62.17 1m4p s VAL 43 Cb 0.01 -4.22 0.00 0.00 0.56 0.00 0.00 36.38 32.73 1m4p s VAL 43 CO -0.06 0.44 0.00 0.49 -0.31 0.00 0.00 175.10 175.67 1m4p n PHE 44 N 1.52 -1.22 -1.53 2.82 3.72 -0.50 -4.64 117.46 117.63 1m4p n PHE 44 Ca -0.01 0.20 -0.34 0.00 -0.05 0.00 0.00 57.45 57.25 1m4p n PHE 44 Cb 0.47 0.73 -0.09 0.00 -0.94 0.00 0.00 39.48 39.64 1m4p n PHE 44 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1m4p n ASN 45 N -2.79 1.25 -2.14 4.37 2.85 -1.25 -0.48 115.26 117.07 1m4p n ASN 45 Ca 0.00 -0.38 -0.11 0.00 -0.11 0.00 0.00 54.58 53.98 1m4p n ASN 45 Cb 0.00 -1.28 -0.02 0.00 1.24 0.00 0.00 39.78 39.73 1m4p n ASN 45 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1m4p n ASP 46 N 13.53 -3.38 -0.91 1.20 -0.08 -1.26 -0.61 116.55 125.04 1m4p n ASP 46 Ca 0.51 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 54.03 1m4p n ASP 46 Cb 0.32 -2.97 0.00 0.00 2.34 0.00 0.00 41.12 40.81 1m4p n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1m4p n GLY 47 N -0.62 0.48 3.11 0.27 0.00 0.37 -5.07 105.19 103.73 1m4p n GLY 47 Ca -0.12 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 1m4p n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m4p s SER 48 N -2.89 2.98 0.26 1.61 0.15 0.22 -4.70 113.70 111.33 1m4p s SER 48 Ca 0.00 -0.59 -0.23 0.00 0.70 0.00 0.00 55.95 55.83 1m4p s SER 48 Cb 0.00 -1.38 -0.15 0.00 -1.71 0.00 0.00 66.02 62.78 1m4p s SER 48 CO 0.00 0.01 0.32 -1.20 1.20 0.00 0.00 173.24 173.57 1m4p n SER 49 N 4.47 -1.73 -3.76 5.45 7.64 -1.26 -1.42 113.62 123.02 1m4p n SER 49 Ca -0.20 0.91 -0.13 0.00 1.01 0.00 0.00 58.87 60.47 1m4p n SER 49 Cb 0.50 -0.84 -0.10 0.00 -1.01 0.00 0.00 64.21 62.76 1m4p n SER 49 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1m4p s ARG 50 N -0.91 0.43 -0.07 1.43 3.52 0.27 -4.76 118.95 118.86 1m4p s ARG 50 Ca 0.57 0.39 0.03 0.00 -0.13 0.00 0.00 55.73 56.59 1m4p s ARG 50 Cb -0.74 0.21 -0.02 0.00 -1.56 0.00 0.00 34.95 32.83 1m4p s ARG 50 CO 0.53 -0.06 -0.15 -2.00 -0.81 0.00 0.00 175.30 172.81 1m4p s GLU 51 N -0.00 2.75 -0.19 5.12 2.12 -1.26 -0.01 118.70 127.22 1m4p s GLU 51 Ca -0.02 -0.71 -0.31 0.00 0.36 0.00 0.00 54.97 54.30 1m4p s GLU 51 Cb -0.03 -2.43 0.15 0.00 0.26 0.00 0.00 34.13 32.08 1m4p s GLU 51 CO 0.01 0.49 1.13 -0.48 -0.54 0.00 0.00 175.26 175.87 1m4p s LEU 52 N -0.39 -0.23 0.11 2.70 -0.00 -0.92 -4.93 118.68 115.03 1m4p s LEU 52 Ca 0.04 0.20 -0.23 0.00 -0.00 0.00 0.00 54.13 54.14 1m4p s LEU 52 Cb -0.12 1.56 -0.07 0.00 -0.00 0.00 0.00 46.19 47.55 1m4p s LEU 52 CO 0.02 -0.25 0.68 0.00 -0.00 0.00 0.00 176.35 176.80 1m4p s MET 53 N -1.44 4.40 0.28 1.48 0.23 -1.20 -2.40 119.30 120.65 1m4p s MET 53 Ca 0.04 0.96 0.07 0.00 -1.03 0.00 0.00 55.69 55.73 1m4p s MET 53 Cb -0.01 -3.26 -0.06 0.00 -1.53 0.00 0.00 34.83 29.97 1m4p s MET 53 CO -0.03 0.58 -0.07 0.54 -2.03 0.00 0.00 175.02 174.00 1m4p s ASN 54 N -1.03 2.83 0.06 -1.18 4.22 0.35 -0.90 114.94 119.29 1m4p s ASN 54 Ca 0.33 -1.17 0.02 0.00 -2.14 0.00 0.00 52.86 49.90 1m4p s ASN 54 Cb -0.21 -0.18 -0.04 0.00 1.28 0.00 0.00 41.25 42.10 1m4p s ASN 54 CO 0.23 -0.31 0.08 -0.76 -2.04 0.00 0.00 177.10 174.30 1m4p s LEU 55 N -3.45 3.84 -0.19 3.54 2.01 0.16 0.18 118.68 124.77 1m4p s LEU 55 Ca 0.29 0.04 -0.17 0.00 0.01 0.00 0.00 54.13 54.30 1m4p s LEU 55 Cb 0.03 -2.46 0.05 0.00 0.01 0.00 0.00 46.19 43.82 1m4p s LEU 55 CO 0.12 0.19 0.50 0.28 1.01 0.00 0.00 176.35 178.45 1m4p s THR 56 N -1.35 -0.00 0.00 5.49 -1.32 0.15 -2.02 115.64 116.58 1m4p s THR 56 Ca 0.28 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 1m4p s THR 56 Cb -0.12 -0.70 0.00 0.00 -1.51 0.00 0.00 72.50 70.17 1m4p s THR 56 CO 0.20 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 1m4p n GLY 57 N 2.86 2.19 3.31 6.08 0.00 -1.24 0.18 105.19 118.56 1m4p n GLY 57 Ca -0.14 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 1m4p n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m4p s THR 58 N -2.00 4.71 0.27 2.61 -4.23 -1.22 -1.24 115.64 114.55 1m4p s THR 58 Ca 0.00 -1.37 -0.29 0.00 -1.18 0.00 0.00 61.69 58.85 1m4p s THR 58 Cb 0.00 -3.92 -0.10 0.00 1.34 0.00 0.00 72.50 69.83 1m4p s THR 58 CO 0.00 -0.63 1.24 -0.63 -0.54 0.00 0.00 174.62 174.06 1m4p s ILE 59 N 1.51 3.11 -0.88 2.99 1.01 0.52 -4.49 121.20 124.97 1m4p s ILE 59 Ca 0.04 1.05 -0.25 0.00 0.00 0.00 0.00 60.65 61.49 1m4p s ILE 59 Cb -0.25 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1m4p s ILE 59 CO 0.03 0.22 1.65 -2.16 0.00 0.00 0.00 174.94 174.69 1m4p s PRO 60 N -1.17 3.04 -0.34 2.79 0.04 -1.26 0.12 135.00 138.22 1m4p s PRO 60 Ca 0.50 -0.47 -0.29 0.00 0.04 0.00 0.00 61.00 60.78 1m4p s PRO 60 Cb -0.36 -4.95 0.01 0.00 0.04 0.00 0.00 34.50 29.24 1m4p s PRO 60 CO 0.45 -2.68 1.23 0.08 0.04 0.00 0.00 177.00 176.12 1m4p s VAL 61 N 7.43 4.21 0.63 -0.36 1.01 0.02 -4.82 120.40 128.52 1m4p s VAL 61 Ca 0.56 1.35 -0.13 0.00 0.00 0.00 0.00 61.98 63.75 1m4p s VAL 61 Cb -0.05 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1m4p s VAL 61 CO 0.01 -0.59 1.05 -2.16 0.00 0.00 0.00 175.10 173.42 1m4p s PRO 62 N 4.17 3.19 0.00 2.72 0.04 -1.26 0.12 135.00 143.97 1m4p s PRO 62 Ca 0.53 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1m4p s PRO 62 Cb -0.14 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1m4p s PRO 62 CO 0.24 -0.91 0.00 0.98 0.04 0.00 0.00 177.00 177.35 1m4p n TYR 63 N -2.51 0.00 0.55 0.56 9.36 0.35 -4.87 117.16 120.60 1m4p n TYR 63 Ca 0.08 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.40 1m4p n TYR 63 Cb 0.53 0.00 0.43 0.00 -0.63 0.00 0.00 39.34 39.67 1m4p n TYR 63 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1m4p n ARG 64 N 0.00 0.10 -1.06 2.98 3.00 -1.26 -4.16 116.66 116.26 1m4p n ARG 64 Ca 0.00 0.27 -0.00 0.00 -0.01 0.00 0.00 57.85 58.11 1m4p n ARG 64 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 30.80 1m4p n ARG 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1m4p n GLY 65 N 0.37 -0.59 3.27 -0.13 0.00 -1.26 -5.16 105.19 101.69 1m4p n GLY 65 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1m4p n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1m4p n ASN 66 N -0.06 -1.73 -3.23 1.61 4.13 -1.26 -5.15 115.26 109.57 1m4p n ASN 66 Ca -0.02 -2.06 -0.02 0.00 1.68 0.00 0.00 54.58 54.16 1m4p n ASN 66 Cb 0.41 2.84 -0.04 0.00 -1.54 0.00 0.00 39.78 41.45 1m4p n ASN 66 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1m4p s THR 67 N -2.18 -0.83 0.06 3.41 2.01 -1.26 0.13 115.64 116.98 1m4p s THR 67 Ca 0.17 -0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.11 1m4p s THR 67 Cb -0.03 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.55 1m4p s THR 67 CO 0.07 -0.07 0.08 -1.22 -0.69 0.00 0.00 174.62 172.79 1m4p n TYR 68 N 5.40 -3.48 -3.90 4.92 4.02 0.12 -4.80 117.16 119.44 1m4p n TYR 68 Ca -0.01 -0.13 -0.30 0.00 -0.01 0.00 0.00 57.90 57.46 1m4p n TYR 68 Cb 0.51 -0.06 -0.16 0.00 -0.02 0.00 0.00 39.34 39.61 1m4p n TYR 68 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1m4p s ASN 69 N -1.32 3.54 -0.16 7.72 0.01 -1.26 -0.80 114.94 122.66 1m4p s ASN 69 Ca 0.05 -1.04 -0.04 0.00 -0.71 0.00 0.00 52.86 51.12 1m4p s ASN 69 Cb -0.00 -1.04 -0.03 0.00 0.41 0.00 0.00 41.25 40.59 1m4p s ASN 69 CO 0.03 -0.24 -0.03 -0.51 -1.51 0.00 0.00 177.10 174.84 1m4p s ILE 70 N 1.51 3.87 0.65 0.60 1.10 0.12 -4.83 121.20 124.22 1m4p s ILE 70 Ca -0.04 -0.36 -0.13 0.00 -0.51 0.00 0.00 60.65 59.61 1m4p s ILE 70 Cb -0.18 -2.70 -0.01 0.00 0.15 0.00 0.00 42.46 39.71 1m4p s ILE 70 CO -0.07 0.48 1.06 -2.16 -2.11 0.00 0.00 174.94 172.14 1m4p s PRO 71 N 0.50 3.13 0.20 3.50 0.04 -1.26 0.19 135.00 141.31 1m4p s PRO 71 Ca -0.03 1.05 -0.08 0.00 0.04 0.00 0.00 61.00 61.97 1m4p s PRO 71 Cb -0.14 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1m4p s PRO 71 CO 0.03 -0.95 0.31 -1.50 0.04 0.00 0.00 177.00 174.92 1m4p s ILE 72 N -2.81 0.03 -0.28 0.56 1.10 -0.37 -4.14 121.20 115.29 1m4p s ILE 72 Ca 0.60 -1.54 0.00 0.00 -0.51 0.00 0.00 60.65 59.21 1m4p s ILE 72 Cb -0.15 -2.11 0.15 0.00 0.15 0.00 0.00 42.46 40.51 1m4p s ILE 72 CO 0.47 -0.14 0.40 0.00 -2.11 0.00 0.00 174.94 173.57 1m4p s LEU 74 N 2.55 4.03 -0.72 0.00 1.98 -0.86 0.10 118.68 125.77 1m4p s LEU 74 Ca 0.11 0.26 -0.11 0.00 -2.89 0.00 0.00 54.13 51.50 1m4p s LEU 74 Cb -0.13 -1.99 0.19 0.00 0.66 0.00 0.00 46.19 44.91 1m4p s LEU 74 CO -0.25 0.31 0.63 0.26 -1.89 0.00 0.00 176.35 175.40 1m4p s TRP 75 N -0.42 3.60 -0.78 5.38 0.52 -1.05 0.37 118.94 126.56 1m4p s TRP 75 Ca 0.10 -2.10 -0.26 0.00 0.02 0.00 0.00 56.10 53.86 1m4p s TRP 75 Cb -0.12 -3.64 0.03 0.00 -1.15 0.00 0.00 33.47 28.60 1m4p s TRP 75 CO 0.02 -0.96 1.32 -1.17 0.02 0.00 0.00 176.95 176.18 1m4p s LEU 76 N 0.34 3.21 0.00 2.99 2.96 -0.08 -4.73 118.68 123.37 1m4p s LEU 76 Ca 0.15 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 1m4p s LEU 76 Cb -0.16 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 43.97 1m4p s LEU 76 CO -0.06 -1.81 0.00 -0.11 -1.32 0.00 0.00 176.35 173.05 1m4p n LEU 77 N 9.41 0.00 -2.13 -0.68 0.00 -1.26 -3.22 117.00 119.12 1m4p n LEU 77 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 56.01 55.90 1m4p n LEU 77 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.88 1m4p n LEU 77 CO 0.70 -0.25 1.41 -0.90 0.00 0.00 0.00 177.39 178.35 1m4p n ASP 78 N 0.00 6.24 -3.86 1.96 5.75 -1.26 -4.79 116.55 120.58 1m4p n ASP 78 Ca 0.00 -3.00 -0.31 0.00 -0.01 0.00 0.00 54.79 51.47 1m4p n ASP 78 Cb 0.00 -1.18 0.01 0.00 -1.03 0.00 0.00 41.12 38.91 1m4p n ASP 78 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1m4p n THR 79 N 0.93 -3.35 -3.58 2.12 -2.24 -1.26 -4.27 114.28 102.63 1m4p n THR 79 Ca 0.37 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1m4p n THR 79 Cb 0.61 -2.85 -0.05 0.00 -2.10 0.00 0.00 70.33 65.93 1m4p n THR 79 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1m4p s TYR 80 N -3.16 -0.42 -0.11 4.78 6.14 -1.26 -4.60 117.35 118.73 1m4p s TYR 80 Ca 0.16 0.76 0.26 0.00 0.64 0.00 0.00 57.07 58.88 1m4p s TYR 80 Cb -0.08 0.43 0.77 0.00 0.42 0.00 0.00 41.96 43.50 1m4p s TYR 80 CO 0.92 -0.36 1.76 -1.00 0.64 0.00 0.00 175.55 177.51 1m4p h PRO 81 N 2.81 0.00 0.00 4.97 0.13 -2.03 -3.40 132.00 134.48 1m4p h PRO 81 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1m4p h PRO 81 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1m4p h PRO 81 CO 0.29 0.10 0.00 0.66 -0.23 0.00 0.00 178.00 178.83 1m4p n TYR 82 N -3.17 -1.29 -3.52 1.56 4.01 -1.26 -5.10 117.16 108.39 1m4p n TYR 82 Ca 0.02 0.10 -0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1m4p n TYR 82 Cb 0.46 0.66 -0.07 0.00 -0.31 0.00 0.00 39.34 40.07 1m4p n TYR 82 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1m4p s ASN 83 N -3.75 -0.42 -0.33 7.72 -0.87 -1.26 -4.96 114.94 111.06 1m4p s ASN 83 Ca 0.00 0.89 -0.29 0.00 -1.57 0.00 0.00 52.86 51.89 1m4p s ASN 83 Cb 0.00 1.55 0.00 0.00 -0.02 0.00 0.00 41.25 42.78 1m4p s ASN 83 CO 0.00 -0.25 1.36 -2.16 -2.57 0.00 0.00 177.10 173.49 1m4p s PRO 84 N 2.67 3.79 -0.68 -0.60 0.04 -1.26 -4.89 135.00 134.07 1m4p s PRO 84 Ca 0.04 1.18 -0.06 0.00 0.04 0.00 0.00 61.00 62.19 1m4p s PRO 84 Cb -0.13 -3.94 -0.13 0.00 0.04 0.00 0.00 34.50 30.34 1m4p s PRO 84 CO -0.16 -1.29 2.65 -0.35 0.04 0.00 0.00 177.00 177.90 1m4p n PRO 85 N 7.60 2.22 -3.91 0.56 -0.04 -1.26 -4.71 135.00 135.46 1m4p n PRO 85 Ca 0.16 -1.32 -0.32 0.00 -0.04 0.00 0.00 63.50 61.97 1m4p n PRO 85 Cb 0.47 -2.28 -0.13 0.00 -0.04 0.00 0.00 33.50 31.52 1m4p n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1m4p s ILE 86 N 2.26 2.79 -0.10 0.52 1.01 -1.26 -5.07 121.20 121.35 1m4p s ILE 86 Ca 0.52 -2.85 0.02 0.00 0.00 0.00 0.00 60.65 58.34 1m4p s ILE 86 Cb 0.18 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 1m4p s ILE 86 CO -0.03 -0.75 -0.17 0.00 0.00 0.00 0.00 174.94 174.00 1m4p s PHE 88 N 0.15 1.49 0.09 0.00 0.40 0.29 -3.02 117.98 117.38 1m4p s PHE 88 Ca -0.09 -1.38 0.05 0.00 -0.60 0.00 0.00 56.93 54.90 1m4p s PHE 88 Cb -0.15 -0.76 -0.03 0.00 0.51 0.00 0.00 43.02 42.58 1m4p s PHE 88 CO 0.06 -0.57 -0.13 0.54 0.70 0.00 0.00 175.22 175.82 1m4p s VAL 89 N -3.76 1.10 -0.75 -0.44 0.11 0.26 0.11 120.40 117.03 1m4p s VAL 89 Ca 0.37 -1.49 0.04 0.00 -2.93 0.00 0.00 61.98 57.97 1m4p s VAL 89 Cb 0.06 -1.24 0.18 0.00 -1.53 0.00 0.00 36.38 33.84 1m4p s VAL 89 CO 0.17 -0.37 0.56 -0.54 -3.33 0.00 0.00 175.10 171.58 1m4p s LYS 90 N -2.25 2.64 0.03 1.54 -0.14 -1.26 -4.70 119.74 115.60 1m4p s LYS 90 Ca 0.02 -3.35 -0.00 0.00 -1.36 0.00 0.00 55.97 51.27 1m4p s LYS 90 Cb -0.07 -3.53 0.01 0.00 -1.68 0.00 0.00 37.83 32.56 1m4p s LYS 90 CO 0.02 -1.28 0.03 -0.35 -0.76 0.00 0.00 175.35 173.00 1m4p n PRO 91 N 2.01 -0.55 0.00 -1.68 -0.04 -1.26 -4.58 135.00 128.90 1m4p n PRO 91 Ca 0.20 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1m4p n PRO 91 Cb 0.35 -0.04 0.00 0.00 -0.04 0.00 0.00 33.50 33.78 1m4p n PRO 91 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1m4p n THR 92 N -2.31 0.00 -0.03 0.52 -2.24 -1.26 -5.08 114.28 103.89 1m4p n THR 92 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1m4p n THR 92 Cb 0.01 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.22 1m4p n THR 92 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1m4p n SER 93 N 0.00 2.68 0.00 3.42 7.64 -1.26 -4.58 113.62 121.52 1m4p n SER 93 Ca 0.00 -0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 1m4p n SER 93 Cb 0.00 -0.10 0.60 0.00 -1.01 0.00 0.00 64.21 63.69 1m4p n SER 93 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1m4p n SER 94 N -2.81 0.00 -2.94 6.43 7.64 -1.26 -4.82 113.62 115.85 1m4p n SER 94 Ca -0.09 0.24 -0.10 0.00 1.01 0.00 0.00 58.87 59.93 1m4p n SER 94 Cb 0.59 -0.41 0.09 0.00 -1.01 0.00 0.00 64.21 63.47 1m4p n SER 94 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1m4p n MET 95 N -1.41 -2.23 -3.22 1.43 2.00 -1.26 -4.49 117.12 107.93 1m4p n MET 95 Ca 0.09 -0.53 -0.13 0.00 0.00 0.00 0.00 57.70 57.13 1m4p n MET 95 Cb 0.26 -0.57 -0.05 0.00 0.00 0.00 0.00 33.22 32.86 1m4p n MET 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1m4p s THR 96 N -1.53 -0.48 0.27 2.03 2.01 -1.25 -4.93 115.64 111.75 1m4p s THR 96 Ca 0.23 -1.07 -0.31 0.00 0.31 0.00 0.00 61.69 60.85 1m4p s THR 96 Cb -0.03 -0.50 -0.12 0.00 0.01 0.00 0.00 72.50 71.86 1m4p s THR 96 CO 0.18 -0.46 1.57 0.00 -0.69 0.00 0.00 174.62 175.22 1m4p n ILE 97 N 3.79 0.85 -3.46 1.82 3.06 -1.26 -3.74 119.36 120.42 1m4p n ILE 97 Ca 0.15 -0.21 -0.43 0.00 -2.50 0.00 0.00 62.75 59.76 1m4p n ILE 97 Cb 0.50 -1.84 -0.08 0.00 0.54 0.00 0.00 39.64 38.76 1m4p n ILE 97 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1m4p s LYS 98 N -0.23 2.75 0.15 9.51 2.36 -1.24 -5.00 119.74 128.03 1m4p s LYS 98 Ca 0.67 -1.61 -0.27 0.00 -2.55 0.00 0.00 55.97 52.21 1m4p s LYS 98 Cb -0.54 -4.04 -0.07 0.00 -1.05 0.00 0.00 37.83 32.12 1m4p s LYS 98 CO 0.46 -1.15 0.84 0.95 1.55 0.00 0.00 175.35 178.00 1m4p s THR 99 N 1.50 4.40 0.00 3.43 -4.23 -1.26 -3.74 115.64 115.74 1m4p s THR 99 Ca 0.04 1.83 0.00 0.00 -1.18 0.00 0.00 61.69 62.38 1m4p s THR 99 Cb -0.26 -4.20 0.00 0.00 1.34 0.00 0.00 72.50 69.37 1m4p s THR 99 CO 0.02 0.45 0.00 0.61 -0.54 0.00 0.00 174.62 175.17 1m4p n GLY 100 N 1.83 -0.63 2.20 3.99 0.00 -0.65 -4.89 105.19 107.04 1m4p n GLY 100 Ca -0.03 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1m4p n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m4p n LYS 101 N 0.00 2.11 0.14 1.61 5.02 -1.26 -3.91 118.16 121.86 1m4p n LYS 101 Ca 0.00 -1.70 0.00 0.00 -2.02 0.00 0.00 58.31 54.59 1m4p n LYS 101 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 1m4p n LYS 101 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1m4p n HIS 102 N 1.28 -3.64 -3.99 2.13 8.25 -1.21 -4.80 115.22 113.24 1m4p n HIS 102 Ca 0.41 0.94 -0.24 0.00 -0.26 0.00 0.00 57.72 58.57 1m4p n HIS 102 Cb 0.65 2.51 -0.06 0.00 1.12 0.00 0.00 29.99 34.21 1m4p n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m4p s VAL 103 N -2.00 2.35 0.05 1.59 1.01 -1.25 -0.65 120.40 121.50 1m4p s VAL 103 Ca 0.00 -1.60 -0.02 0.00 0.00 0.00 0.00 61.98 60.36 1m4p s VAL 103 Cb 0.00 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1m4p s VAL 103 CO 0.00 0.00 -0.04 -0.67 0.00 0.00 0.00 175.10 174.39 1m4p n ASP 104 N -1.34 1.04 0.00 3.32 2.03 -1.21 -1.63 116.55 118.76 1m4p n ASP 104 Ca -0.00 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1m4p n ASP 104 Cb 0.64 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 1m4p n ASP 104 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m4p n ALA 105 N -3.53 0.00 1.96 -1.67 0.00 -1.26 -4.64 120.51 111.38 1m4p n ALA 105 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.56 1m4p n ALA 105 Cb 0.15 0.00 0.85 0.00 0.00 0.00 0.00 19.45 20.45 1m4p n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1m4p n ASN 106 N 0.00 0.11 0.00 0.00 4.13 -1.26 -4.84 115.26 113.40 1m4p n ASN 106 Ca 0.00 -1.11 0.00 0.00 1.68 0.00 0.00 54.58 55.15 1m4p n ASN 106 Cb 0.00 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1m4p n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m4p n GLY 107 N 0.98 0.66 3.46 7.41 0.00 -1.26 -4.87 105.19 111.56 1m4p n GLY 107 Ca 0.22 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 1m4p n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m4p s LYS 108 N -2.13 3.63 0.35 1.61 -2.85 -1.26 -0.57 119.74 118.52 1m4p s LYS 108 Ca 0.00 -0.50 -0.29 0.00 -1.00 0.00 0.00 55.97 54.18 1m4p s LYS 108 Cb 0.00 -3.41 -0.11 0.00 -2.06 0.00 0.00 37.83 32.25 1m4p s LYS 108 CO 0.00 -0.23 1.52 0.42 0.10 0.00 0.00 175.35 177.16 1m4p s ILE 109 N 1.63 2.05 -0.29 3.79 1.01 -1.17 -3.30 121.20 124.93 1m4p s ILE 109 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1m4p s ILE 109 Cb -0.16 -3.03 0.14 0.00 0.01 0.00 0.00 42.46 39.42 1m4p s ILE 109 CO 0.05 0.01 0.32 -0.47 0.00 0.00 0.00 174.94 174.85 1m4p s TYR 110 N -0.77 -0.60 -0.04 3.97 5.04 0.17 -4.91 117.35 120.22 1m4p s TYR 110 Ca 0.56 -0.04 -0.29 0.00 -2.44 0.00 0.00 57.07 54.86 1m4p s TYR 110 Cb -0.47 -0.38 0.10 0.00 0.35 0.00 0.00 41.96 41.56 1m4p s TYR 110 CO 0.58 -0.93 1.31 -0.48 -1.34 0.00 0.00 175.55 174.70 1m4p s LEU 111 N 2.41 -0.01 -1.17 6.97 2.34 -1.26 -3.32 118.68 124.64 1m4p s LEU 111 Ca 0.09 -0.15 -0.19 0.00 0.06 0.00 0.00 54.13 53.95 1m4p s LEU 111 Cb -0.14 1.25 -0.04 0.00 -0.56 0.00 0.00 46.19 46.71 1m4p s LEU 111 CO -0.32 -0.22 1.96 -0.81 -1.06 0.00 0.00 176.35 175.90 1m4p n PRO 112 N -0.82 2.27 -0.02 1.48 -0.04 -1.26 -4.25 135.00 132.36 1m4p n PRO 112 Ca 0.01 -2.52 -0.03 0.00 -0.04 0.00 0.00 63.50 60.92 1m4p n PRO 112 Cb 0.60 -3.34 -0.01 0.00 -0.04 0.00 0.00 33.50 30.70 1m4p n PRO 112 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1m4p n TYR 113 N 8.95 0.00 0.08 0.54 9.36 -1.26 -4.50 117.16 130.34 1m4p n TYR 113 Ca 0.49 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.49 1m4p n TYR 113 Cb 0.43 -0.12 -0.14 0.00 -0.63 0.00 0.00 39.34 38.88 1m4p n TYR 113 CO 0.00 0.00 0.00 1.37 0.22 0.00 0.00 176.86 178.45 1m4p h LEU 114 N -0.05 0.72 -3.74 2.98 8.10 -1.98 -3.26 115.31 118.08 1m4p h LEU 114 Ca -0.07 -0.88 -0.47 0.00 0.11 0.00 0.00 57.88 56.57 1m4p h LEU 114 Cb 1.09 -0.23 -0.20 0.00 -0.44 0.00 0.00 40.66 40.89 1m4p h LEU 114 CO -0.03 1.53 0.59 0.00 -4.11 0.00 0.00 178.44 176.43 1m4p n HIS 115 N -3.92 2.18 0.00 0.17 1.44 -1.26 -4.21 115.22 109.61 1m4p n HIS 115 Ca -0.14 -2.36 0.00 0.00 -2.01 0.00 0.00 57.72 53.21 1m4p n HIS 115 Cb 0.94 -1.16 0.00 0.00 0.12 0.00 0.00 29.99 29.89 1m4p n HIS 115 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1m4p n GLU 116 N -0.10 0.00 0.00 -1.40 0.00 -1.23 -4.99 120.64 112.92 1m4p n GLU 116 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.59 1m4p n GLU 116 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.04 1m4p n GLU 116 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00 1m4p n TRP 117 N -2.27 0.00 -4.18 4.31 -0.00 -1.25 -4.88 117.44 109.17 1m4p n TRP 117 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.50 57.19 1m4p n TRP 117 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.25 1m4p n TRP 117 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1m4p n LYS 118 N -0.30 -2.21 -0.22 5.87 4.81 -1.26 -4.80 118.16 120.06 1m4p n LYS 118 Ca 0.00 0.26 0.02 0.00 -0.87 0.00 0.00 58.31 57.72 1m4p n LYS 118 Cb 0.00 -4.32 0.13 0.00 0.02 0.00 0.00 35.03 30.86 1m4p n LYS 118 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1m4p h HIS 119 N -1.67 0.30 0.05 5.64 2.76 -1.95 -3.45 115.15 116.83 1m4p h HIS 119 Ca -0.63 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 57.57 1m4p h HIS 119 Cb 1.39 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.31 1m4p h HIS 119 CO 0.55 0.00 -0.02 -1.00 -1.30 0.00 0.00 177.93 176.15 1m4p h PRO 120 N 0.32 -0.06 0.00 5.26 0.13 -2.03 -3.49 132.00 132.12 1m4p h PRO 120 Ca 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.48 1m4p h PRO 120 Cb 0.51 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1m4p h PRO 120 CO -0.40 0.56 0.00 0.94 -0.23 0.00 0.00 178.00 178.87 1m4p n GLN 121 N -4.78 0.00 -1.20 0.86 0.00 -1.26 -4.81 117.38 106.18 1m4p n GLN 121 Ca -0.08 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.53 1m4p n GLN 121 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.56 1m4p n GLN 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1m4p n SER 122 N 0.16 -2.58 -4.77 1.69 2.88 -1.26 -4.97 113.62 104.76 1m4p n SER 122 Ca 0.00 0.76 -0.28 0.00 -1.33 0.00 0.00 58.87 58.03 1m4p n SER 122 Cb 0.00 -0.81 -0.06 0.00 -0.75 0.00 0.00 64.21 62.58 1m4p n SER 122 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1m4p s ASP 123 N -0.92 4.35 0.26 -3.46 1.11 -1.26 -4.89 116.67 111.86 1m4p s ASP 123 Ca 0.55 -1.30 -0.02 0.00 0.18 0.00 0.00 52.55 51.96 1m4p s ASP 123 Cb -0.60 0.00 0.56 0.00 1.07 0.00 0.00 42.92 43.96 1m4p s ASP 123 CO 0.57 -0.75 1.66 0.25 1.18 0.00 0.00 175.17 178.08 1m4p h LEU 124 N 1.27 -0.07 -0.44 1.23 5.85 -1.93 1.66 115.31 122.89 1m4p h LEU 124 Ca -0.42 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1m4p h LEU 124 Cb 1.28 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 1m4p h LEU 124 CO 0.69 -0.11 0.26 -0.07 -0.34 0.00 0.00 178.44 178.86 1m4p h LEU 125 N 0.21 0.41 -0.80 2.25 4.07 -1.95 -1.89 115.31 117.62 1m4p h LEU 125 Ca 0.47 0.01 -0.12 0.00 0.08 0.00 0.00 57.88 58.32 1m4p h LEU 125 Cb 0.88 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 1m4p h LEU 125 CO -0.61 0.30 -0.41 1.23 -1.08 0.00 0.00 178.44 177.87 1m4p h GLY 126 N 0.52 0.45 0.10 0.83 0.00 -0.38 -2.14 103.07 102.44 1m4p h GLY 126 Ca 0.18 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.08 1m4p h GLY 126 CO -0.08 0.40 -0.52 -2.00 0.00 0.00 0.00 176.54 174.33 1m4p h LEU 127 N 0.34 -1.58 -1.30 3.11 6.46 0.29 0.10 115.31 122.74 1m4p h LEU 127 Ca 0.03 0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1m4p h LEU 127 Cb 0.86 0.59 -0.02 0.00 -0.73 0.00 0.00 40.66 41.35 1m4p h LEU 127 CO 0.07 -0.54 0.23 0.40 -0.62 0.00 0.00 178.44 177.98 1m4p h ILE 128 N -0.72 1.18 -0.71 4.05 2.04 -1.46 -2.13 117.51 119.75 1m4p h ILE 128 Ca -0.00 -0.51 0.13 0.00 1.00 0.00 0.00 64.86 65.47 1m4p h ILE 128 Cb 0.74 0.55 -0.09 0.00 -0.74 0.00 0.00 36.82 37.28 1m4p h ILE 128 CO -0.30 0.21 0.27 -0.61 0.00 0.00 0.00 178.15 177.72 1m4p h GLN 129 N 0.71 0.41 -0.79 2.37 4.15 -0.39 0.28 115.11 121.84 1m4p h GLN 129 Ca 0.18 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1m4p h GLN 129 Cb 0.10 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 1m4p h GLN 129 CO -0.02 0.27 0.47 0.28 -1.93 0.00 0.00 178.83 177.90 1m4p h VAL 130 N 0.42 1.22 -0.48 2.39 2.07 -0.18 -2.03 116.25 119.67 1m4p h VAL 130 Ca 0.38 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1m4p h VAL 130 Cb 0.54 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1m4p h VAL 130 CO -0.38 0.24 0.10 -0.03 0.02 0.00 0.00 177.57 177.52 1m4p h MET 131 N 1.10 0.78 -0.07 1.57 4.05 -0.45 0.16 114.93 122.06 1m4p h MET 131 Ca 0.28 -0.20 0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1m4p h MET 131 Cb -0.03 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.67 1m4p h MET 131 CO -0.05 0.77 0.05 0.82 0.23 0.00 0.00 176.91 178.73 1m4p h ILE 132 N 0.65 0.98 0.09 1.77 5.03 -0.19 1.48 117.51 127.33 1m4p h ILE 132 Ca 0.15 -0.01 -0.24 0.00 -0.12 0.00 0.00 64.86 64.64 1m4p h ILE 132 Cb 0.36 0.95 0.02 0.00 -3.03 0.00 0.00 36.82 35.13 1m4p h ILE 132 CO 0.01 0.00 -1.00 0.58 -0.68 0.00 0.00 178.15 177.06 1m4p h VAL 133 N 0.02 1.36 0.02 1.67 2.07 -0.74 0.52 116.25 121.18 1m4p h VAL 133 Ca 0.03 -2.37 -0.00 0.00 0.82 0.00 0.00 66.70 65.18 1m4p h VAL 133 Cb 0.10 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1m4p h VAL 133 CO -0.00 0.71 -0.01 0.58 0.02 0.00 0.00 177.57 178.86 1m4p h VAL 134 N 0.06 1.32 0.00 2.57 2.07 0.26 -0.03 116.25 122.51 1m4p h VAL 134 Ca -0.15 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1m4p h VAL 134 Cb 1.71 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 1m4p h VAL 134 CO 0.19 0.28 0.00 0.49 0.02 0.00 0.00 177.57 178.55 1m4p n PHE 135 N -4.88 0.00 -0.03 1.57 3.01 0.50 -1.73 117.46 115.90 1m4p n PHE 135 Ca -0.08 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.17 1m4p n PHE 135 Cb 0.24 -0.34 -0.13 0.00 -0.01 0.00 0.00 39.48 39.24 1m4p n PHE 135 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1m4p n GLY 136 N 0.67 -0.52 0.11 1.37 0.00 0.17 -4.45 105.19 102.55 1m4p n GLY 136 Ca 0.09 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1m4p n GLY 136 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1m4p h ASP 137 N 0.04 -0.12 -3.00 1.61 3.58 -0.91 -3.46 116.42 114.15 1m4p h ASP 137 Ca -0.46 -0.35 -0.62 0.00 0.42 0.00 0.00 57.03 56.03 1m4p h ASP 137 Cb 1.99 0.03 -0.08 0.00 1.72 0.00 0.00 39.33 43.00 1m4p h ASP 137 CO 0.04 0.50 -0.57 -1.61 -2.88 0.00 0.00 179.24 174.72 1m4p s GLU 138 N -2.63 2.98 -0.30 0.28 8.01 -0.70 -5.06 118.70 121.28 1m4p s GLU 138 Ca -0.10 -0.70 -0.29 0.00 0.01 0.00 0.00 54.97 53.89 1m4p s GLU 138 Cb -0.00 -2.76 -0.00 0.00 -4.31 0.00 0.00 34.13 27.06 1m4p s GLU 138 CO 0.36 0.55 1.35 -1.25 0.01 0.00 0.00 175.26 176.28 1m4p s PRO 139 N -2.62 3.88 0.28 0.39 0.04 -1.26 -4.21 135.00 131.50 1m4p s PRO 139 Ca 0.31 1.28 0.13 0.00 0.04 0.00 0.00 61.00 62.76 1m4p s PRO 139 Cb -0.12 -3.91 0.31 0.00 0.04 0.00 0.00 34.50 30.83 1m4p s PRO 139 CO 0.23 -1.17 1.56 -1.00 0.04 0.00 0.00 177.00 176.67 1m4p h PRO 140 N 9.57 0.00 0.00 0.56 0.13 -1.88 -3.41 132.00 136.96 1m4p h PRO 140 Ca -0.27 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.74 1m4p h PRO 140 Cb 1.11 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 1m4p h PRO 140 CO 1.03 0.59 0.02 1.55 -0.23 0.00 0.00 178.00 180.96 1m4p n VAL 141 N -3.53 0.00 -1.68 1.56 3.14 -1.26 -3.72 118.33 112.85 1m4p n VAL 141 Ca -0.00 -0.80 -0.46 0.00 -2.96 0.00 0.00 64.34 60.12 1m4p n VAL 141 Cb 0.66 0.99 -0.04 0.00 -1.06 0.00 0.00 33.84 34.38 1m4p n VAL 141 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 1m4p n PHE 142 N 0.13 2.34 -3.27 1.45 -1.74 -1.25 -4.21 117.46 110.92 1m4p n PHE 142 Ca -0.10 0.18 -0.17 0.00 -0.56 0.00 0.00 57.45 56.80 1m4p n PHE 142 Cb 0.73 -2.58 0.04 0.00 1.52 0.00 0.00 39.48 39.18 1m4p n PHE 142 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1m4p n SER 143 N 4.14 1.86 -4.84 5.98 2.88 -1.26 -3.77 113.62 118.61 1m4p n SER 143 Ca 0.18 -2.27 -0.32 0.00 -1.33 0.00 0.00 58.87 55.12 1m4p n SER 143 Cb 0.30 -0.24 -0.03 0.00 -0.75 0.00 0.00 64.21 63.50 1m4p n SER 143 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1m4p s ARG 144 N -3.95 3.84 0.00 -1.46 1.04 -1.26 -4.99 118.95 112.17 1m4p s ARG 144 Ca 0.40 0.98 0.24 0.00 -1.04 0.00 0.00 55.73 56.31 1m4p s ARG 144 Cb -0.03 -2.12 1.43 0.00 -2.04 0.00 0.00 34.95 32.19 1m4p s ARG 144 CO 0.25 -0.36 1.79 -0.35 -0.04 0.00 0.00 175.30 176.59