#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 1.33 0.47 0.00 2.07 -2.04 -1.82 116.25 116.26 1m4p h VAL 3 Ca 0.00 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 1m4p h VAL 3 Cb 0.00 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1m4p h VAL 3 CO 0.00 0.38 -0.42 0.77 0.02 0.00 0.00 177.57 178.32 1m4p h SER 4 N 0.04 -1.12 -0.71 0.57 4.64 -2.04 0.78 113.55 115.71 1m4p h SER 4 Ca 0.03 0.09 0.14 0.00 -0.47 0.00 0.00 61.79 61.58 1m4p h SER 4 Cb 0.67 0.36 -0.10 0.00 -0.31 0.00 0.00 62.40 63.02 1m4p h SER 4 CO 0.04 -0.59 0.21 -0.33 -0.87 0.00 0.00 176.83 175.29 1m4p h GLU 5 N -0.89 0.31 0.27 4.77 5.08 -1.99 1.03 114.58 123.17 1m4p h GLU 5 Ca -0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1m4p h GLU 5 Cb 0.77 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1m4p h GLU 5 CO -0.03 0.21 -0.13 0.77 -1.00 0.00 0.00 179.01 178.82 1m4p h SER 6 N 0.32 -0.31 -0.02 1.42 0.02 -0.79 -2.29 113.55 111.91 1m4p h SER 6 Ca 0.39 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1m4p h SER 6 Cb 0.62 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 1m4p h SER 6 CO -0.45 -0.09 0.01 -0.61 -1.14 0.00 0.00 176.83 174.56 1m4p h GLN 7 N -0.52 0.00 -0.51 3.45 -0.00 0.16 -0.98 115.11 116.71 1m4p h GLN 7 Ca -0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.58 1m4p h GLN 7 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.84 1m4p h GLN 7 CO 0.06 0.00 0.18 1.25 0.00 0.00 0.00 178.83 180.32 1m4p h LEU 8 N 0.00 0.73 -1.70 -2.39 5.85 0.16 0.16 115.31 118.11 1m4p h LEU 8 Ca 0.01 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1m4p h LEU 8 Cb 0.03 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1m4p h LEU 8 CO -0.00 0.73 -0.04 0.50 -0.34 0.00 0.00 178.44 179.28 1m4p h LYS 9 N 0.69 0.13 0.00 1.25 3.64 -0.65 0.19 116.57 121.82 1m4p h LYS 9 Ca 0.17 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1m4p h LYS 9 Cb 0.24 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1m4p h LYS 9 CO -0.01 0.19 -0.27 1.63 -2.27 0.00 0.00 179.45 178.72 1m4p n LYS 10 N -4.41 0.12 0.00 1.90 5.02 -0.69 -3.10 118.16 117.01 1m4p n LYS 10 Ca -0.01 0.06 0.13 0.00 -2.02 0.00 0.00 58.31 56.47 1m4p n LYS 10 Cb 0.17 -1.60 0.40 0.00 -0.02 0.00 0.00 35.03 33.98 1m4p n LYS 10 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1m4p n MET 11 N -1.79 0.01 0.00 1.97 2.81 0.62 -4.73 117.12 116.02 1m4p n MET 11 Ca 0.06 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1m4p n MET 11 Cb 0.38 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1m4p n MET 11 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1m4p n VAL 12 N -1.53 0.00 -1.34 2.03 0.24 -0.99 -4.93 118.33 111.80 1m4p n VAL 12 Ca 0.06 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.23 1m4p n VAL 12 Cb 0.34 -0.01 -0.05 0.00 -1.47 0.00 0.00 33.84 32.65 1m4p n VAL 12 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1m4p n SER 13 N 0.00 -5.19 -0.07 -1.34 7.64 -1.18 -4.72 113.62 108.76 1m4p n SER 13 Ca 0.00 0.32 0.04 0.00 1.01 0.00 0.00 58.87 60.23 1m4p n SER 13 Cb 0.00 -4.08 0.05 0.00 -1.01 0.00 0.00 64.21 59.18 1m4p n SER 13 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1m4p n LYS 14 N -1.20 1.84 -4.19 1.43 5.02 -1.26 -5.04 118.16 114.76 1m4p n LYS 14 Ca -0.13 -1.80 -0.27 0.00 -2.02 0.00 0.00 58.31 54.10 1m4p n LYS 14 Cb 0.57 -1.11 -0.08 0.00 -0.02 0.00 0.00 35.03 34.39 1m4p n LYS 14 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1m4p s TYR 15 N -1.57 2.88 0.08 2.13 1.51 -1.26 -4.95 117.35 116.16 1m4p s TYR 15 Ca 0.13 -0.12 -0.36 0.00 -1.01 0.00 0.00 57.07 55.71 1m4p s TYR 15 Cb 0.11 -1.40 -0.18 0.00 -0.11 0.00 0.00 41.96 40.38 1m4p s TYR 15 CO 0.01 0.51 1.57 -0.22 -1.11 0.00 0.00 175.55 176.32 1m4p h LYS 16 N 2.73 -1.06 -2.59 -0.62 3.64 -1.94 -3.25 116.57 113.49 1m4p h LYS 16 Ca -0.47 0.07 -0.72 0.00 -1.27 0.00 0.00 60.65 58.26 1m4p h LYS 16 Cb 1.20 0.24 -0.34 0.00 -0.41 0.00 0.00 32.23 32.92 1m4p h LYS 16 CO 0.58 -0.71 0.21 0.66 -2.27 0.00 0.00 179.45 177.92 1m4p n TYR 17 N -5.59 2.86 -0.28 1.91 4.01 -1.26 -4.86 117.16 113.95 1m4p n TYR 17 Ca -0.14 -3.24 0.07 0.00 -0.16 0.00 0.00 57.90 54.43 1m4p n TYR 17 Cb 0.48 -0.95 0.21 0.00 -0.31 0.00 0.00 39.34 38.77 1m4p n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1m4p h ARG 18 N 4.82 0.51 0.68 -0.72 2.43 -1.96 1.50 114.38 121.64 1m4p h ARG 18 Ca 0.21 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1m4p h ARG 18 Cb 0.62 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1m4p h ARG 18 CO 1.12 0.34 -0.33 0.22 -1.51 0.00 0.00 179.97 179.81 1m4p h ASP 19 N 0.52 -0.77 -0.31 -3.80 3.58 -1.92 0.45 116.42 114.17 1m4p h ASP 19 Ca 0.45 -0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.97 1m4p h ASP 19 Cb 0.67 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1m4p h ASP 19 CO -0.39 -0.45 0.22 0.25 -2.88 0.00 0.00 179.24 175.99 1m4p h LEU 20 N -1.08 0.02 -0.06 2.28 7.12 -1.76 1.11 115.31 122.94 1m4p h LEU 20 Ca -0.09 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.88 1m4p h LEU 20 Cb 0.73 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.86 1m4p h LEU 20 CO 0.15 0.01 -0.12 0.74 -0.13 0.00 0.00 178.44 179.10 1m4p h THR 21 N 0.03 1.41 -0.34 1.05 2.02 0.25 0.29 112.91 117.62 1m4p h THR 21 Ca 0.15 -1.40 -0.14 0.00 0.77 0.00 0.00 66.41 65.79 1m4p h THR 21 Cb 0.56 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 1m4p h THR 21 CO -0.01 0.39 -0.32 0.58 0.37 0.00 0.00 175.52 176.53 1m4p h VAL 22 N -0.29 1.29 -0.02 3.16 2.07 0.11 0.18 116.25 122.75 1m4p h VAL 22 Ca 0.00 -1.49 -0.09 0.00 0.82 0.00 0.00 66.70 65.95 1m4p h VAL 22 Cb 0.69 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1m4p h VAL 22 CO 0.03 0.49 -0.39 -0.09 0.02 0.00 0.00 177.57 177.62 1m4p h ARG 23 N 0.61 0.05 0.13 1.57 2.43 0.12 0.11 114.38 119.39 1m4p h ARG 23 Ca 0.06 -0.02 -0.29 0.00 -0.81 0.00 0.00 59.98 58.92 1m4p h ARG 23 Cb 0.90 -0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.47 1m4p h ARG 23 CO 0.08 0.43 -1.24 1.49 -1.51 0.00 0.00 179.97 179.22 1m4p h GLU 24 N 0.04 0.49 -0.05 0.20 4.81 -0.18 -2.24 114.58 117.66 1m4p h GLU 24 Ca 0.00 -0.70 -0.02 0.00 -0.13 0.00 0.00 59.36 58.51 1m4p h GLU 24 Cb 0.71 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1m4p h GLU 24 CO 0.05 1.31 -0.04 1.15 -0.73 0.00 0.00 179.01 180.75 1m4p h THR 25 N 0.20 1.37 -0.76 0.32 2.02 -0.40 -2.48 112.91 113.17 1m4p h THR 25 Ca -0.17 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 65.84 1m4p h THR 25 Cb 1.92 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 70.35 1m4p h THR 25 CO 0.23 0.32 0.47 -0.37 0.37 0.00 0.00 175.52 176.53 1m4p h VAL 26 N -0.33 1.21 -0.81 3.16 -1.51 -0.89 -1.31 116.25 115.77 1m4p h VAL 26 Ca 0.01 -0.44 0.04 0.00 -1.23 0.00 0.00 66.70 65.08 1m4p h VAL 26 Cb 0.53 0.12 -0.05 0.00 -2.13 0.00 0.00 31.29 29.76 1m4p h VAL 26 CO 0.01 0.21 0.51 0.78 -1.23 0.00 0.00 177.57 177.85 1m4p h ASN 27 N 1.04 0.83 0.38 4.19 4.21 -1.31 1.14 115.58 126.05 1m4p h ASN 27 Ca 0.28 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.77 1m4p h ASN 27 Cb -0.06 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 36.97 1m4p h ASN 27 CO -0.05 0.56 -0.18 0.58 -1.29 0.00 0.00 177.43 177.04 1m4p h VAL 28 N 0.97 0.00 -0.29 2.81 2.07 -0.79 -0.52 116.25 120.50 1m4p h VAL 28 Ca 0.33 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.93 1m4p h VAL 28 Cb 0.06 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1m4p h VAL 28 CO -0.13 0.00 0.29 0.16 0.02 0.00 0.00 177.57 177.90 1m4p h ILE 29 N -0.51 0.52 0.00 4.57 3.07 -1.26 0.67 117.51 124.56 1m4p h ILE 29 Ca -0.05 0.00 -0.07 0.00 1.55 0.00 0.00 64.86 66.29 1m4p h ILE 29 Cb 0.39 0.78 -0.01 0.00 -0.27 0.00 0.00 36.82 37.71 1m4p h ILE 29 CO 0.08 0.00 -0.33 0.74 -1.05 0.00 0.00 178.15 177.60 1m4p h THR 30 N 0.00 0.99 0.03 0.16 2.02 0.19 1.27 112.91 117.56 1m4p h THR 30 Ca 0.14 -1.23 -0.24 0.00 0.77 0.00 0.00 66.41 65.84 1m4p h THR 30 Cb 0.71 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 1m4p h THR 30 CO -0.00 0.32 -1.32 0.25 0.37 0.00 0.00 175.52 175.14 1m4p h LEU 31 N 0.00 0.09 0.00 2.58 5.85 0.18 -3.43 115.31 120.58 1m4p h LEU 31 Ca -0.00 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1m4p h LEU 31 Cb 0.69 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1m4p h LEU 31 CO 0.04 1.53 -0.16 1.88 -0.34 0.00 0.00 178.44 181.39 1m4p h TYR 32 N -0.80 0.00 0.00 1.25 0.05 -0.81 -3.49 116.97 113.17 1m4p h TYR 32 Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.44 1m4p h TYR 32 Cb 1.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.17 1m4p h TYR 32 CO 0.11 0.00 0.00 1.17 -1.05 0.00 0.00 178.16 178.39 1m4p n LYS 33 N -3.41 0.00 -0.02 4.88 4.81 0.43 -4.88 118.16 119.98 1m4p n LYS 33 Ca -0.02 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.44 1m4p n LYS 33 Cb 0.08 -1.76 -0.08 0.00 0.02 0.00 0.00 35.03 33.30 1m4p n LYS 33 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1m4p n ASP 34 N 0.00 2.62 -4.68 3.14 5.75 -1.26 -4.96 116.55 117.15 1m4p n ASP 34 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 1m4p n ASP 34 Cb 0.00 1.26 -0.03 0.00 -1.03 0.00 0.00 41.12 41.32 1m4p n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1m4p s LEU 35 N -4.02 4.28 -0.24 -2.12 1.02 -1.26 -3.24 118.68 113.10 1m4p s LEU 35 Ca -0.04 1.90 -0.05 0.00 0.02 0.00 0.00 54.13 55.95 1m4p s LEU 35 Cb 0.06 -3.55 -0.01 0.00 0.02 0.00 0.00 46.19 42.70 1m4p s LEU 35 CO 0.42 -0.66 0.00 -0.75 0.02 0.00 0.00 176.35 175.38 1m4p s LYS 36 N 2.53 3.41 0.04 1.70 2.20 -0.74 -4.77 119.74 124.11 1m4p s LYS 36 Ca 0.59 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 55.27 1m4p s LYS 36 Cb -0.26 -3.13 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 1m4p s LYS 36 CO 0.22 -0.23 1.17 -1.25 -0.36 0.00 0.00 175.35 174.91 1m4p s PRO 37 N 1.51 4.43 0.15 4.03 0.04 -1.26 -0.07 135.00 143.85 1m4p s PRO 37 Ca 0.05 1.71 0.08 0.00 0.04 0.00 0.00 61.00 62.89 1m4p s PRO 37 Cb -0.15 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 1m4p s PRO 37 CO -0.01 -0.26 -0.19 0.54 0.04 0.00 0.00 177.00 177.12 1m4p s VAL 38 N 1.25 1.81 -0.10 -0.36 0.11 0.19 -4.95 120.40 118.36 1m4p s VAL 38 Ca 0.58 -1.86 0.03 0.00 -2.93 0.00 0.00 61.98 57.80 1m4p s VAL 38 Cb -0.28 -1.80 -0.01 0.00 -1.53 0.00 0.00 36.38 32.76 1m4p s VAL 38 CO 0.28 -0.27 -0.21 -0.22 -3.33 0.00 0.00 175.10 171.35 1m4p s LEU 39 N -2.54 2.26 -0.05 2.54 1.98 -1.26 -1.81 118.68 119.79 1m4p s LEU 39 Ca 0.14 -0.48 -0.22 0.00 -2.89 0.00 0.00 54.13 50.69 1m4p s LEU 39 Cb -0.06 -1.45 0.05 0.00 0.66 0.00 0.00 46.19 45.38 1m4p s LEU 39 CO 0.06 0.19 0.49 -0.62 -1.89 0.00 0.00 176.35 174.58 1m4p s ASP 40 N 0.18 -0.42 -0.03 3.68 2.15 -1.02 -5.02 116.67 116.18 1m4p s ASP 40 Ca -0.12 0.47 0.06 0.00 0.43 0.00 0.00 52.55 53.38 1m4p s ASP 40 Cb -0.16 0.50 -0.02 0.00 -0.30 0.00 0.00 42.92 42.94 1m4p s ASP 40 CO 0.07 -0.48 -0.21 -0.55 -0.17 0.00 0.00 175.17 173.83 1m4p s SER 41 N -1.06 3.51 0.06 -0.34 0.15 -1.26 -1.57 113.70 113.19 1m4p s SER 41 Ca -0.11 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.22 1m4p s SER 41 Cb -0.03 -0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 63.67 1m4p s SER 41 CO 0.06 0.33 -0.07 -0.47 1.20 0.00 0.00 173.24 174.29 1m4p s TYR 42 N -0.67 0.75 0.24 3.44 5.04 0.17 -4.75 117.35 121.57 1m4p s TYR 42 Ca 0.11 -0.65 -0.30 0.00 -2.44 0.00 0.00 57.07 53.78 1m4p s TYR 42 Cb -0.10 -0.44 -0.09 0.00 0.35 0.00 0.00 41.96 41.68 1m4p s TYR 42 CO -0.00 -0.11 1.00 0.14 -1.34 0.00 0.00 175.55 175.24 1m4p s VAL 43 N -2.21 3.90 0.18 3.14 -7.23 -1.26 0.37 120.40 117.30 1m4p s VAL 43 Ca -0.02 1.88 0.00 0.00 -1.81 0.00 0.00 61.98 62.03 1m4p s VAL 43 Cb -0.04 -4.20 0.00 0.00 0.56 0.00 0.00 36.38 32.70 1m4p s VAL 43 CO -0.02 0.43 0.00 0.49 -0.31 0.00 0.00 175.10 175.70 1m4p n PHE 44 N 1.53 -1.89 -1.54 2.82 3.72 -0.85 -4.65 117.46 116.60 1m4p n PHE 44 Ca -0.01 0.38 -0.20 0.00 -0.05 0.00 0.00 57.45 57.57 1m4p n PHE 44 Cb 0.46 0.96 -0.10 0.00 -0.94 0.00 0.00 39.48 39.86 1m4p n PHE 44 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1m4p n ASN 45 N -3.02 1.07 -1.79 4.37 3.02 -1.25 -1.66 115.26 115.99 1m4p n ASN 45 Ca 0.00 -1.05 -0.11 0.00 -0.03 0.00 0.00 54.58 53.39 1m4p n ASN 45 Cb 0.00 -1.36 -0.03 0.00 -0.61 0.00 0.00 39.78 37.78 1m4p n ASN 45 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1m4p n ASP 46 N 14.97 -3.13 -0.59 6.41 2.03 -1.26 -1.48 116.55 133.50 1m4p n ASP 46 Ca 0.51 0.25 0.00 0.00 0.52 0.00 0.00 54.79 56.08 1m4p n ASP 46 Cb 0.36 -2.86 0.00 0.00 -0.72 0.00 0.00 41.12 37.90 1m4p n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1m4p n GLY 47 N -0.44 0.72 2.95 0.27 0.00 -0.66 -5.09 105.19 102.93 1m4p n GLY 47 Ca -0.12 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.22 2.98 0.24 1.61 0.15 -0.55 -4.73 113.70 111.18 1m4p s SER 48 Ca 0.00 -0.70 -0.27 0.00 0.70 0.00 0.00 55.95 55.68 1m4p s SER 48 Cb 0.00 -1.08 -0.16 0.00 -1.71 0.00 0.00 66.02 63.07 1m4p s SER 48 CO 0.00 -0.14 0.57 -1.54 1.20 0.00 0.00 173.24 173.32 1m4p n SER 49 N 4.79 -0.95 -3.76 5.45 3.41 -1.26 -2.00 113.62 119.30 1m4p n SER 49 Ca -0.14 1.10 -0.12 0.00 -0.26 0.00 0.00 58.87 59.45 1m4p n SER 49 Cb 0.48 -1.01 -0.12 0.00 -0.26 0.00 0.00 64.21 63.30 1m4p n SER 49 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1m4p s ARG 50 N -1.11 0.29 -0.24 4.33 3.52 0.16 -4.83 118.95 121.06 1m4p s ARG 50 Ca 0.63 0.46 -0.29 0.00 -0.13 0.00 0.00 55.73 56.39 1m4p s ARG 50 Cb -0.86 0.06 -0.00 0.00 -1.56 0.00 0.00 34.95 32.59 1m4p s ARG 50 CO 0.57 -0.09 1.25 -1.21 -0.81 0.00 0.00 175.30 175.02 1m4p s GLU 51 N 0.59 4.08 0.06 5.12 2.02 -1.26 -0.65 118.70 128.65 1m4p s GLU 51 Ca -0.04 1.41 0.04 0.00 0.02 0.00 0.00 54.97 56.40 1m4p s GLU 51 Cb -0.05 -3.81 -0.03 0.00 0.10 0.00 0.00 34.13 30.35 1m4p s GLU 51 CO -0.03 -0.90 -0.11 -1.17 0.02 0.00 0.00 175.26 173.07 1m4p s LEU 52 N 3.89 2.26 0.30 1.80 0.20 -0.61 -4.99 118.68 121.54 1m4p s LEU 52 Ca 0.54 -0.58 0.00 0.00 0.69 0.00 0.00 54.13 54.78 1m4p s LEU 52 Cb -0.18 -0.33 -0.04 0.00 -0.43 0.00 0.00 46.19 45.21 1m4p s LEU 52 CO 0.18 -0.14 0.50 -0.32 -0.29 0.00 0.00 176.35 176.28 1m4p s MET 53 N -1.65 3.50 -0.10 1.98 1.75 -1.26 -2.44 119.30 121.09 1m4p s MET 53 Ca -0.06 -0.34 -0.30 0.00 -1.25 0.00 0.00 55.69 53.74 1m4p s MET 53 Cb -0.10 -2.72 0.08 0.00 2.84 0.00 0.00 34.83 34.94 1m4p s MET 53 CO 0.01 0.23 0.76 0.54 -0.65 0.00 0.00 175.02 175.91 1m4p s ASN 54 N -3.76 -0.60 0.15 1.11 4.22 -0.75 -2.45 114.94 112.86 1m4p s ASN 54 Ca 0.40 0.72 0.09 0.00 -2.14 0.00 0.00 52.86 51.92 1m4p s ASN 54 Cb -0.10 0.58 -0.04 0.00 1.28 0.00 0.00 41.25 42.97 1m4p s ASN 54 CO 0.33 -0.51 -0.13 -0.76 -2.04 0.00 0.00 177.10 173.99 1m4p s LEU 55 N -1.00 2.85 -0.30 3.54 1.43 -0.69 0.57 118.68 125.08 1m4p s LEU 55 Ca -0.08 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 52.37 1m4p s LEU 55 Cb -0.01 -1.61 0.15 0.00 0.03 0.00 0.00 46.19 44.75 1m4p s LEU 55 CO 0.07 0.14 0.65 0.28 0.23 0.00 0.00 176.35 177.71 1m4p s THR 56 N -1.47 -0.99 0.39 5.49 -1.32 0.91 -2.18 115.64 116.47 1m4p s THR 56 Ca 0.22 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.56 1m4p s THR 56 Cb -0.10 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.95 1m4p s THR 56 CO 0.13 0.00 0.76 0.61 -2.21 0.00 0.00 174.62 173.91 1m4p n GLY 57 N 5.44 1.07 3.20 6.08 0.00 -1.10 -1.78 105.19 118.09 1m4p n GLY 57 Ca -0.09 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.16 3.70 0.24 2.61 -4.23 -1.20 -0.38 115.64 114.23 1m4p s THR 58 Ca 0.17 -1.66 -0.24 0.00 -1.18 0.00 0.00 61.69 58.77 1m4p s THR 58 Cb -0.05 -3.36 -0.09 0.00 1.34 0.00 0.00 72.50 70.35 1m4p s THR 58 CO 0.12 -0.54 0.83 -0.51 -0.54 0.00 0.00 174.62 173.99 1m4p s ILE 59 N 1.29 4.35 -0.30 2.99 2.07 0.20 -4.64 121.20 127.17 1m4p s ILE 59 Ca 0.04 1.65 -0.29 0.00 -1.41 0.00 0.00 60.65 60.64 1m4p s ILE 59 Cb -0.23 -4.02 -0.00 0.00 0.13 0.00 0.00 42.46 38.34 1m4p s ILE 59 CO -0.01 0.29 1.34 -2.16 -1.91 0.00 0.00 174.94 172.49 1m4p s PRO 60 N -1.73 3.87 -0.36 3.50 0.04 -1.26 -0.43 135.00 138.64 1m4p s PRO 60 Ca 0.43 1.26 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 1m4p s PRO 60 Cb -0.20 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1m4p s PRO 60 CO 0.24 -1.17 0.24 0.08 0.04 0.00 0.00 177.00 176.42 1m4p s VAL 61 N 4.54 5.03 0.57 -0.36 1.01 0.46 -4.89 120.40 126.76 1m4p s VAL 61 Ca 0.58 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 1m4p s VAL 61 Cb -0.17 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1m4p s VAL 61 CO 0.24 -0.12 1.05 -2.16 0.00 0.00 0.00 175.10 174.11 1m4p s PRO 62 N 1.66 3.43 -0.02 2.72 0.04 -1.26 -0.35 135.00 141.22 1m4p s PRO 62 Ca 0.05 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.32 1m4p s PRO 62 Cb -0.18 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.36 1m4p s PRO 62 CO 0.09 -0.72 0.90 0.98 0.04 0.00 0.00 177.00 178.29 1m4p n TYR 63 N -1.88 0.00 -1.97 0.56 9.36 0.12 -4.75 117.16 118.60 1m4p n TYR 63 Ca 0.09 -0.25 -0.02 0.00 3.32 0.00 0.00 57.90 61.04 1m4p n TYR 63 Cb 0.53 -0.06 0.01 0.00 -0.63 0.00 0.00 39.34 39.19 1m4p n TYR 63 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1m4p n ARG 64 N -0.33 -0.48 0.00 2.98 0.63 -1.26 -4.60 116.66 113.60 1m4p n ARG 64 Ca 0.03 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1m4p n ARG 64 Cb 0.58 -2.50 0.00 0.00 0.45 0.00 0.00 32.46 30.99 1m4p n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1m4p n GLY 65 N -1.17 1.89 2.79 5.14 0.00 -1.26 -5.10 105.19 107.47 1m4p n GLY 65 Ca -0.02 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 1m4p n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m4p s ASN 66 N 0.00 0.11 -0.39 1.61 0.01 -1.26 -5.11 114.94 109.90 1m4p s ASN 66 Ca 0.00 0.02 -0.02 0.00 -0.71 0.00 0.00 52.86 52.15 1m4p s ASN 66 Cb 0.00 -0.08 0.10 0.00 0.41 0.00 0.00 41.25 41.68 1m4p s ASN 66 CO 0.00 -0.11 0.17 -0.89 -1.51 0.00 0.00 177.10 174.77 1m4p s THR 67 N 0.90 3.21 0.29 1.60 2.01 -1.26 0.11 115.64 122.50 1m4p s THR 67 Ca -0.08 -1.98 -0.05 0.00 0.31 0.00 0.00 61.69 59.90 1m4p s THR 67 Cb -0.11 -3.17 0.07 0.00 0.01 0.00 0.00 72.50 69.30 1m4p s THR 67 CO -0.02 -0.61 0.33 -1.22 -0.69 0.00 0.00 174.62 172.41 1m4p n TYR 68 N 4.58 -3.72 -4.02 4.92 4.02 0.53 -4.64 117.16 118.83 1m4p n TYR 68 Ca -0.03 -0.30 -0.31 0.00 -0.01 0.00 0.00 57.90 57.25 1m4p n TYR 68 Cb 0.42 -0.29 -0.16 0.00 -0.02 0.00 0.00 39.34 39.29 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 -2.31 3.47 -0.13 7.72 0.01 -1.26 -0.40 114.94 122.04 1m4p s ASN 69 Ca 0.20 -0.91 -0.00 0.00 -0.71 0.00 0.00 52.86 51.43 1m4p s ASN 69 Cb -0.01 -1.30 -0.02 0.00 0.41 0.00 0.00 41.25 40.34 1m4p s ASN 69 CO 0.14 -0.13 -0.12 -0.51 -1.51 0.00 0.00 177.10 174.97 1m4p s ILE 70 N 1.35 3.17 0.88 0.60 2.07 0.43 -4.89 121.20 124.80 1m4p s ILE 70 Ca -0.01 -0.63 -0.12 0.00 -1.41 0.00 0.00 60.65 58.48 1m4p s ILE 70 Cb -0.16 -2.33 0.12 0.00 0.13 0.00 0.00 42.46 40.21 1m4p s ILE 70 CO -0.08 0.53 1.13 -2.16 -1.91 0.00 0.00 174.94 172.44 1m4p s PRO 71 N 0.24 1.42 0.15 3.50 0.04 -1.26 0.62 135.00 139.72 1m4p s PRO 71 Ca -0.08 0.38 -0.23 0.00 0.04 0.00 0.00 61.00 61.11 1m4p s PRO 71 Cb -0.15 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.59 1m4p s PRO 71 CO 0.05 -2.02 0.63 0.42 0.04 0.00 0.00 177.00 176.11 1m4p s ILE 72 N -3.25 0.00 -0.28 0.56 1.01 0.49 -3.95 121.20 115.78 1m4p s ILE 72 Ca 0.63 -0.05 -0.08 0.00 0.00 0.00 0.00 60.65 61.14 1m4p s ILE 72 Cb -0.15 -1.06 0.13 0.00 0.01 0.00 0.00 42.46 41.40 1m4p s ILE 72 CO 0.53 0.00 0.60 0.00 0.00 0.00 0.00 174.94 176.08 1m4p s LEU 74 N 2.84 2.48 0.23 0.00 2.34 -0.93 -2.06 118.68 123.58 1m4p s LEU 74 Ca -0.01 -0.96 0.06 0.00 0.06 0.00 0.00 54.13 53.28 1m4p s LEU 74 Cb -0.12 0.09 -0.04 0.00 -0.56 0.00 0.00 46.19 45.56 1m4p s LEU 74 CO -0.18 -0.53 0.18 0.26 -1.06 0.00 0.00 176.35 175.02 1m4p s TRP 75 N -3.62 3.12 0.02 3.48 0.52 -1.00 -1.71 118.94 119.74 1m4p s TRP 75 Ca 0.07 -0.09 0.07 0.00 0.02 0.00 0.00 56.10 56.18 1m4p s TRP 75 Cb 0.06 -1.43 -0.02 0.00 -1.15 0.00 0.00 33.47 30.92 1m4p s TRP 75 CO -0.07 0.52 -0.21 -1.17 0.02 0.00 0.00 176.95 176.03 1m4p s LEU 76 N -3.64 2.11 0.53 2.99 2.96 -1.02 -4.66 118.68 117.95 1m4p s LEU 76 Ca 0.32 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.82 1m4p s LEU 76 Cb -0.08 -1.06 0.03 0.00 0.50 0.00 0.00 46.19 45.57 1m4p s LEU 76 CO 0.24 0.22 0.33 -1.48 -1.32 0.00 0.00 176.35 174.34 1m4p s LEU 77 N -0.88 2.68 -0.01 -0.68 0.05 -1.26 -4.38 118.68 114.20 1m4p s LEU 77 Ca 0.08 -1.28 -0.12 0.00 0.05 0.00 0.00 54.13 52.86 1m4p s LEU 77 Cb -0.09 -1.16 -0.07 0.00 -2.05 0.00 0.00 46.19 42.83 1m4p s LEU 77 CO 0.01 -1.03 0.68 0.44 -0.55 0.00 0.00 176.35 175.90 1m4p h ASP 78 N 0.88 -0.37 0.00 1.48 5.19 -1.99 -3.46 116.42 118.15 1m4p h ASP 78 Ca -0.38 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.01 1m4p h ASP 78 Cb 1.30 0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.88 1m4p h ASP 78 CO 0.60 -0.11 -0.05 1.07 -3.12 0.00 0.00 179.24 177.63 1m4p n THR 79 N -4.03 0.00 -3.51 0.35 5.66 -1.26 -4.50 114.28 106.99 1m4p n THR 79 Ca -0.05 -0.20 -0.12 0.00 -3.05 0.00 0.00 64.05 60.63 1m4p n THR 79 Cb 0.17 0.60 -0.04 0.00 -1.55 0.00 0.00 70.33 69.51 1m4p n THR 79 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1m4p s TYR 80 N 0.03 -0.47 -0.58 1.09 -0.85 -1.26 -4.52 117.35 110.77 1m4p s TYR 80 Ca 0.02 0.57 0.25 0.00 -0.52 0.00 0.00 57.07 57.39 1m4p s TYR 80 Cb 0.09 0.49 0.90 0.00 0.38 0.00 0.00 41.96 43.82 1m4p s TYR 80 CO -0.03 -0.58 1.75 -0.35 -1.52 0.00 0.00 175.55 174.82 1m4p n PRO 81 N 0.24 0.24 0.00 -3.49 -0.04 -1.26 -4.69 135.00 126.01 1m4p n PRO 81 Ca -0.14 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1m4p n PRO 81 Cb 0.60 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1m4p n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1m4p n TYR 82 N -2.29 0.00 -0.21 0.54 4.01 -1.26 -5.15 117.16 112.80 1m4p n TYR 82 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1m4p n TYR 82 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 1m4p n TYR 82 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1m4p n ASN 83 N 0.00 -1.85 -4.62 7.72 2.85 -1.26 -4.84 115.26 113.27 1m4p n ASN 83 Ca 0.00 0.18 -0.43 0.00 -0.11 0.00 0.00 54.58 54.22 1m4p n ASN 83 Cb 0.00 0.23 -0.02 0.00 1.24 0.00 0.00 39.78 41.23 1m4p n ASN 83 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1m4p s PRO 84 N -5.44 3.77 0.48 1.20 0.04 -1.26 -4.87 135.00 128.92 1m4p s PRO 84 Ca 0.00 1.15 0.28 0.00 0.04 0.00 0.00 61.00 62.47 1m4p s PRO 84 Cb 0.00 -3.95 0.87 0.00 0.04 0.00 0.00 34.50 31.46 1m4p s PRO 84 CO 0.00 -1.32 1.80 -1.00 0.04 0.00 0.00 177.00 176.52 1m4p h PRO 85 N 9.98 0.00 -5.72 0.56 0.13 -1.88 -3.41 132.00 131.66 1m4p h PRO 85 Ca -0.27 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.56 1m4p h PRO 85 Cb 1.10 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 1m4p h PRO 85 CO 1.05 0.00 0.76 0.42 -0.23 0.00 0.00 178.00 180.00 1m4p s ILE 86 N -3.43 3.41 -0.29 -3.56 -1.09 -1.26 -4.86 121.20 110.12 1m4p s ILE 86 Ca 0.04 -0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 58.16 1m4p s ILE 86 Cb 0.07 -3.93 0.09 0.00 -1.58 0.00 0.00 42.46 37.12 1m4p s ILE 86 CO 0.60 -0.88 0.08 0.00 -1.23 0.00 0.00 174.94 173.51 1m4p s PHE 88 N 1.65 1.05 0.23 0.00 -0.71 -0.88 -2.43 117.98 116.89 1m4p s PHE 88 Ca 0.07 -0.68 -0.10 0.00 -1.04 0.00 0.00 56.93 55.18 1m4p s PHE 88 Cb -0.17 -0.57 -0.07 0.00 -1.21 0.00 0.00 43.02 40.99 1m4p s PHE 88 CO -0.22 -0.01 0.55 0.54 -1.34 0.00 0.00 175.22 174.75 1m4p s VAL 89 N -2.59 4.92 -0.71 -2.49 0.11 0.45 -0.61 120.40 119.48 1m4p s VAL 89 Ca 0.06 0.49 0.05 0.00 -2.93 0.00 0.00 61.98 59.66 1m4p s VAL 89 Cb -0.02 -3.62 0.18 0.00 -1.53 0.00 0.00 36.38 31.39 1m4p s VAL 89 CO -0.00 -0.06 0.52 0.29 -3.33 0.00 0.00 175.10 172.51 1m4p n LYS 90 N -0.12 1.90 -0.39 1.54 4.76 -1.25 -4.60 118.16 120.00 1m4p n LYS 90 Ca 0.00 -4.51 -0.08 0.00 -2.87 0.00 0.00 58.31 50.86 1m4p n LYS 90 Cb 0.52 -2.29 0.06 0.00 -1.84 0.00 0.00 35.03 31.48 1m4p n LYS 90 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1m4p n PRO 91 N 1.90 -0.94 0.00 1.97 -0.04 -1.26 -4.43 135.00 132.19 1m4p n PRO 91 Ca 0.21 -0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 1m4p n PRO 91 Cb 0.35 -0.40 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 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 -2.80 0.00 -0.07 0.52 -2.24 -1.26 -5.06 114.28 103.37 1m4p n THR 92 Ca 0.04 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1m4p n THR 92 Cb 0.15 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 1m4p n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1m4p n SER 93 N 0.00 2.40 0.00 3.42 2.88 -1.26 -4.46 113.62 116.61 1m4p n SER 93 Ca 0.00 -0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1m4p n SER 93 Cb 0.00 -0.28 0.40 0.00 -0.75 0.00 0.00 64.21 63.59 1m4p n SER 93 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1m4p n SER 94 N -3.11 0.00 -3.11 -3.46 7.64 -1.26 -4.76 113.62 105.56 1m4p n SER 94 Ca -0.25 0.28 -0.17 0.00 1.01 0.00 0.00 58.87 59.73 1m4p n SER 94 Cb 0.74 -0.40 0.13 0.00 -1.01 0.00 0.00 64.21 63.68 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 -1.40 -1.59 -3.37 1.43 2.00 -1.26 -4.49 117.12 108.45 1m4p n MET 95 Ca 0.06 -1.10 -0.16 0.00 0.00 0.00 0.00 57.70 56.51 1m4p n MET 95 Cb 0.17 -0.88 -0.08 0.00 0.00 0.00 0.00 33.22 32.43 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 -2.39 -0.39 0.84 2.03 2.01 -1.24 -4.93 115.64 111.56 1m4p s THR 96 Ca 0.42 -0.74 -0.14 0.00 0.31 0.00 0.00 61.69 61.54 1m4p s THR 96 Cb -0.03 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.68 1m4p s THR 96 CO 0.31 -0.51 0.49 0.00 -0.69 0.00 0.00 174.62 174.22 1m4p n ILE 97 N 4.72 0.96 -3.90 1.82 3.06 -1.26 -3.23 119.36 121.54 1m4p n ILE 97 Ca 0.06 -0.29 -0.30 0.00 -2.50 0.00 0.00 62.75 59.71 1m4p n ILE 97 Cb 0.46 -0.70 -0.15 0.00 0.54 0.00 0.00 39.64 39.79 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 -3.23 1.22 0.23 9.51 2.36 -1.04 -4.86 119.74 123.92 1m4p s LYS 98 Ca 0.62 -1.39 -0.19 0.00 -2.55 0.00 0.00 55.97 52.46 1m4p s LYS 98 Cb -0.28 -2.62 -0.08 0.00 -1.05 0.00 0.00 37.83 33.80 1m4p s LYS 98 CO 0.62 -0.89 0.71 0.95 1.55 0.00 0.00 175.35 178.29 1m4p s THR 99 N 1.27 4.61 0.00 3.43 -4.23 -1.26 -4.08 115.64 115.39 1m4p s THR 99 Ca 0.07 1.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 1m4p s THR 99 Cb -0.18 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.84 1m4p s THR 99 CO -0.14 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1m4p n GLY 100 N 0.61 -0.56 2.18 3.99 0.00 0.14 -4.88 105.19 106.67 1m4p n GLY 100 Ca -0.02 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 2.08 0.00 1.61 4.76 -1.26 -3.72 118.16 121.63 1m4p n LYS 101 Ca 0.00 -1.80 0.00 0.00 -2.87 0.00 0.00 58.31 53.64 1m4p n LYS 101 Cb 0.00 -1.89 0.00 0.00 -1.84 0.00 0.00 35.03 31.30 1m4p n LYS 101 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1m4p n HIS 102 N 0.93 -0.91 -4.21 2.13 8.25 -1.26 -4.70 115.22 115.45 1m4p n HIS 102 Ca 0.39 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.70 1m4p n HIS 102 Cb 0.61 0.18 -0.11 0.00 1.12 0.00 0.00 29.99 31.79 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 -1.40 1.12 -0.02 1.59 1.01 -1.24 -0.62 120.40 120.83 1m4p s VAL 103 Ca 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 61.98 60.27 1m4p s VAL 103 Cb 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1m4p s VAL 103 CO 0.00 -0.51 -0.04 -0.67 0.00 0.00 0.00 175.10 173.88 1m4p n ASP 104 N 0.51 0.26 0.00 3.32 -0.08 -1.23 0.26 116.55 119.59 1m4p n ASP 104 Ca -0.15 0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 1m4p n ASP 104 Cb 0.58 -0.53 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1m4p n ASP 104 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m4p n ALA 105 N -2.72 0.00 -1.89 -1.67 0.00 -1.26 -4.57 120.51 108.40 1m4p n ALA 105 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1m4p n ALA 105 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 0.00 0.00 0.00 3.02 -1.26 -4.97 115.26 112.05 1m4p n ASN 106 Ca 0.00 -1.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 1m4p n ASN 106 Cb 0.00 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1m4p n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m4p n GLY 107 N 0.00 0.36 3.78 7.41 0.00 -1.26 -4.77 105.19 110.71 1m4p n GLY 107 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.78 4.55 -0.10 1.61 -2.85 -1.26 0.17 119.74 121.08 1m4p s LYS 108 Ca 0.00 1.14 -0.30 0.00 -1.00 0.00 0.00 55.97 55.81 1m4p s LYS 108 Cb 0.00 -3.27 -0.01 0.00 -2.06 0.00 0.00 37.83 32.49 1m4p s LYS 108 CO 0.00 0.56 1.03 0.42 0.10 0.00 0.00 175.35 177.46 1m4p s ILE 109 N -1.09 4.72 -0.14 3.79 1.01 -1.02 -3.50 121.20 124.97 1m4p s ILE 109 Ca 0.36 1.99 -0.12 0.00 0.00 0.00 0.00 60.65 62.88 1m4p s ILE 109 Cb -0.23 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 37.87 1m4p s ILE 109 CO 0.26 0.01 0.10 0.22 0.00 0.00 0.00 174.94 175.52 1m4p h TYR 110 N 7.13 0.00 -0.98 3.97 3.20 -1.21 -3.47 116.97 125.62 1m4p h TYR 110 Ca -0.31 0.00 -0.86 0.00 3.14 0.00 0.00 58.73 60.70 1m4p h TYR 110 Cb 1.15 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.43 1m4p h TYR 110 CO 0.71 0.43 0.63 1.28 -1.64 0.00 0.00 178.16 179.57 1m4p n LEU 111 N -4.63 1.10 -2.79 2.82 4.77 -1.26 -4.70 117.00 112.31 1m4p n LEU 111 Ca -0.10 1.17 -0.21 0.00 -0.03 0.00 0.00 56.01 56.84 1m4p n LEU 111 Cb 0.29 -0.87 -0.06 0.00 -2.33 0.00 0.00 43.42 40.45 1m4p n LEU 111 CO 0.12 -0.91 2.22 -0.81 -1.33 0.00 0.00 177.39 176.69 1m4p n PRO 112 N 3.74 2.27 0.14 3.23 -0.04 -1.26 -4.53 135.00 138.55 1m4p n PRO 112 Ca 0.30 -1.36 0.09 0.00 -0.04 0.00 0.00 63.50 62.49 1m4p n PRO 112 Cb -0.05 -2.31 0.59 0.00 -0.04 0.00 0.00 33.50 31.69 1m4p n PRO 112 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1m4p h TYR 113 N 4.94 0.14 -0.11 0.54 0.05 -1.96 -0.21 116.97 120.37 1m4p h TYR 113 Ca 0.45 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 59.05 1m4p h TYR 113 Cb 0.58 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.27 1m4p h TYR 113 CO 1.79 0.08 -0.69 1.25 -1.05 0.00 0.00 178.16 179.55 1m4p h LEU 114 N 0.15 0.57 -3.36 3.88 6.46 -1.97 -2.94 115.31 118.10 1m4p h LEU 114 Ca 0.09 -0.35 -0.34 0.00 -0.12 0.00 0.00 57.88 57.16 1m4p h LEU 114 Cb 0.19 -0.17 -0.17 0.00 -0.73 0.00 0.00 40.66 39.78 1m4p h LEU 114 CO -0.01 1.09 0.44 1.57 -0.62 0.00 0.00 178.44 180.91 1m4p n HIS 115 N -3.88 1.82 0.03 1.25 -0.00 -0.12 -3.94 115.22 110.39 1m4p n HIS 115 Ca -0.04 -1.71 0.00 0.00 0.46 0.00 0.00 57.72 56.43 1m4p n HIS 115 Cb 0.69 -0.84 0.00 0.00 -0.12 0.00 0.00 29.99 29.71 1m4p n HIS 115 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1m4p n GLU 116 N -0.19 0.00 0.00 1.57 2.13 -1.02 -4.97 120.64 118.16 1m4p n GLU 116 Ca 0.36 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.18 1m4p n GLU 116 Cb 0.90 -0.13 0.00 0.00 0.27 0.00 0.00 31.44 32.48 1m4p n GLU 116 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1m4p n TRP 117 N -2.87 0.00 -4.28 4.31 -0.00 -1.20 -4.79 117.44 108.61 1m4p n TRP 117 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.11 1m4p n TRP 117 Cb 0.00 -0.06 -0.07 0.00 -0.00 0.00 0.00 31.31 31.18 1m4p n TRP 117 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1m4p n LYS 118 N -0.68 -0.83 -0.21 5.87 2.85 -1.25 -4.74 118.16 119.16 1m4p n LYS 118 Ca 0.00 0.13 0.01 0.00 -1.05 0.00 0.00 58.31 57.39 1m4p n LYS 118 Cb 0.00 -4.43 0.12 0.00 -0.65 0.00 0.00 35.03 30.07 1m4p n LYS 118 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1m4p h HIS 119 N -0.78 0.38 -0.01 5.58 2.76 -1.94 -3.45 115.15 117.68 1m4p h HIS 119 Ca -0.54 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 57.61 1m4p h HIS 119 Cb 1.29 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.18 1m4p h HIS 119 CO 0.68 0.07 -0.21 -1.00 -1.30 0.00 0.00 177.93 176.17 1m4p h PRO 120 N 0.39 0.16 0.00 5.26 0.13 -2.02 -3.49 132.00 132.43 1m4p h PRO 120 Ca 0.32 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1m4p h PRO 120 Cb 0.42 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1m4p h PRO 120 CO -0.33 0.87 0.00 0.94 -0.23 0.00 0.00 178.00 179.25 1m4p n GLN 121 N -4.55 0.00 -0.66 0.86 -0.06 -1.26 -4.80 117.38 106.92 1m4p n GLN 121 Ca -0.09 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.59 1m4p n GLN 121 Cb 0.47 0.00 0.18 0.00 -4.06 0.00 0.00 30.24 26.83 1m4p n GLN 121 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1m4p n SER 122 N 0.53 -2.16 -3.59 1.69 2.88 -1.26 -5.04 113.62 106.66 1m4p n SER 122 Ca 0.00 -0.05 -0.23 0.00 -1.33 0.00 0.00 58.87 57.26 1m4p n SER 122 Cb 0.00 -1.06 -0.07 0.00 -0.75 0.00 0.00 64.21 62.33 1m4p n SER 122 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1m4p n ASP 123 N -2.26 0.52 -0.31 -3.46 8.00 -1.26 -4.92 116.55 112.85 1m4p n ASP 123 Ca 0.02 -3.14 -0.02 0.00 0.71 0.00 0.00 54.79 52.36 1m4p n ASP 123 Cb 0.59 1.25 0.10 0.00 -0.02 0.00 0.00 41.12 43.04 1m4p n ASP 123 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1m4p h LEU 124 N 0.00 0.92 0.45 0.64 5.85 -1.96 1.60 115.31 122.82 1m4p h LEU 124 Ca -0.28 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1m4p h LEU 124 Cb 1.19 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1m4p h LEU 124 CO 0.44 0.65 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.90 1m4p h LEU 125 N 1.09 -0.51 -0.26 2.25 4.07 -1.96 -2.26 115.31 117.72 1m4p h LEU 125 Ca 0.33 -0.10 0.02 0.00 0.08 0.00 0.00 57.88 58.22 1m4p h LEU 125 Cb -0.04 0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 1m4p h LEU 125 CO -0.10 -0.15 0.10 1.23 -1.08 0.00 0.00 178.44 178.45 1m4p h GLY 126 N -0.92 0.33 -0.28 0.83 0.00 -1.89 -1.11 103.07 100.03 1m4p h GLY 126 Ca -0.06 -0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.29 1m4p h GLY 126 CO 0.10 0.05 -0.32 -2.00 0.00 0.00 0.00 176.54 174.37 1m4p h LEU 127 N 0.23 -1.09 -1.69 3.11 6.46 0.23 0.84 115.31 123.41 1m4p h LEU 127 Ca 0.11 0.21 0.03 0.00 -0.12 0.00 0.00 57.88 58.11 1m4p h LEU 127 Cb 0.07 0.53 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 1m4p h LEU 127 CO -0.10 -0.31 0.26 0.40 -0.62 0.00 0.00 178.44 178.07 1m4p h ILE 128 N -0.20 1.03 -0.64 4.05 2.04 -1.01 -0.04 117.51 122.74 1m4p h ILE 128 Ca 0.20 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.98 1m4p h ILE 128 Cb 0.54 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1m4p h ILE 128 CO -0.60 0.08 0.42 -0.61 0.00 0.00 0.00 178.15 177.43 1m4p h GLN 129 N 0.41 0.65 -0.22 2.37 4.15 0.19 -0.49 115.11 122.17 1m4p h GLN 129 Ca 0.16 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 1m4p h GLN 129 Cb 0.11 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1m4p h GLN 129 CO -0.04 0.43 -0.09 0.28 -1.93 0.00 0.00 178.83 177.48 1m4p h VAL 130 N 0.67 1.30 -0.22 2.39 2.07 0.17 -2.26 116.25 120.37 1m4p h VAL 130 Ca 0.27 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1m4p h VAL 130 Cb 0.21 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1m4p h VAL 130 CO -0.08 0.35 0.15 -0.03 0.02 0.00 0.00 177.57 177.98 1m4p h MET 131 N 0.18 0.28 -0.38 1.57 1.85 -1.04 0.34 114.93 117.73 1m4p h MET 131 Ca 0.05 -0.02 -0.12 0.00 -0.61 0.00 0.00 59.70 59.00 1m4p h MET 131 Cb 0.58 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.54 1m4p h MET 131 CO 0.03 0.19 -0.25 0.82 -0.40 0.00 0.00 176.91 177.30 1m4p h ILE 132 N 0.29 1.28 -0.05 1.77 5.03 -0.88 0.51 117.51 125.46 1m4p h ILE 132 Ca 0.08 -1.40 -0.14 0.00 -0.12 0.00 0.00 64.86 63.28 1m4p h ILE 132 Cb -0.02 1.35 -0.01 0.00 -3.03 0.00 0.00 36.82 35.11 1m4p h ILE 132 CO -0.02 0.47 -0.61 0.58 -0.68 0.00 0.00 178.15 177.88 1m4p h VAL 133 N 0.65 1.40 -0.07 1.67 2.07 -0.67 0.05 116.25 121.35 1m4p h VAL 133 Ca 0.08 -2.03 -0.08 0.00 0.82 0.00 0.00 66.70 65.49 1m4p h VAL 133 Cb 0.82 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1m4p h VAL 133 CO 0.07 0.59 -0.26 0.58 0.02 0.00 0.00 177.57 178.57 1m4p h VAL 134 N 0.13 1.43 0.00 2.57 2.07 -0.13 -2.04 116.25 120.28 1m4p h VAL 134 Ca -0.01 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1m4p h VAL 134 Cb 1.11 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1m4p h VAL 134 CO 0.09 0.47 0.00 0.49 0.02 0.00 0.00 177.57 178.64 1m4p n PHE 135 N -4.48 0.00 -0.07 1.57 3.01 0.18 -2.57 117.46 115.10 1m4p n PHE 135 Ca -0.08 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.29 1m4p n PHE 135 Cb 0.47 -0.18 -0.15 0.00 -0.01 0.00 0.00 39.48 39.60 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 0.81 -1.01 0.15 1.37 0.00 -0.00 -4.34 105.19 102.16 1m4p n GLY 136 Ca 0.15 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1m4p n GLY 136 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1m4p h ASP 137 N 0.00 0.72 -4.24 1.61 3.32 -1.21 -3.46 116.42 113.16 1m4p h ASP 137 Ca -0.43 -0.88 -0.57 0.00 0.02 0.00 0.00 57.03 55.17 1m4p h ASP 137 Cb 2.11 -0.23 -0.24 0.00 0.22 0.00 0.00 39.33 41.19 1m4p h ASP 137 CO 0.05 1.54 -0.83 -0.70 -1.72 0.00 0.00 179.24 177.57 1m4p s GLU 138 N -2.73 1.27 -0.34 3.56 2.56 -1.06 -5.10 118.70 116.86 1m4p s GLU 138 Ca -0.11 -1.02 -0.29 0.00 0.00 0.00 0.00 54.97 53.55 1m4p s GLU 138 Cb 0.03 -1.45 0.00 0.00 2.00 0.00 0.00 34.13 34.72 1m4p s GLU 138 CO 0.90 0.36 1.37 -1.25 -0.56 0.00 0.00 175.26 176.07 1m4p s PRO 139 N -1.46 3.77 0.41 4.30 0.04 -1.26 -4.39 135.00 136.40 1m4p s PRO 139 Ca 0.07 1.16 0.22 0.00 0.04 0.00 0.00 61.00 62.49 1m4p s PRO 139 Cb -0.09 -3.95 0.63 0.00 0.04 0.00 0.00 34.50 31.13 1m4p s PRO 139 CO 0.03 -1.31 1.70 -1.00 0.04 0.00 0.00 177.00 176.46 1m4p h PRO 140 N 9.96 0.00 0.00 0.56 0.13 -1.90 -3.41 132.00 137.34 1m4p h PRO 140 Ca -0.27 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.75 1m4p h PRO 140 Cb 1.11 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.12 1m4p h PRO 140 CO 1.05 0.25 -0.03 1.55 -0.23 0.00 0.00 178.00 180.59 1m4p n VAL 141 N -3.28 0.00 -1.96 1.56 3.14 -1.26 -2.50 118.33 114.03 1m4p n VAL 141 Ca 0.01 -0.76 -0.42 0.00 -2.96 0.00 0.00 64.34 60.21 1m4p n VAL 141 Cb 0.52 1.13 -0.03 0.00 -1.06 0.00 0.00 33.84 34.40 1m4p n VAL 141 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 1m4p s PHE 142 N 0.11 2.68 0.60 1.45 -0.71 -1.20 -4.32 117.98 116.60 1m4p s PHE 142 Ca 0.23 0.48 -0.07 0.00 -1.04 0.00 0.00 56.93 56.52 1m4p s PHE 142 Cb 0.27 -3.92 0.00 0.00 -1.21 0.00 0.00 43.02 38.17 1m4p s PHE 142 CO -0.16 -3.56 0.93 0.45 -1.34 0.00 0.00 175.22 171.55 1m4p s SER 143 N 1.93 5.65 0.11 1.98 0.15 -1.26 -3.68 113.70 118.58 1m4p s SER 143 Ca 0.72 0.84 0.00 0.00 0.70 0.00 0.00 55.95 58.20 1m4p s SER 143 Cb -0.40 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1m4p s SER 143 CO 0.31 -1.07 0.00 0.54 1.20 0.00 0.00 173.24 174.23 1m4p n ARG 144 N -2.64 -5.50 0.00 5.44 1.74 -1.26 -4.97 116.66 109.46 1m4p n ARG 144 Ca 0.05 3.92 0.12 0.00 -0.77 0.00 0.00 57.85 61.17 1m4p n ARG 144 Cb 0.57 -4.58 0.71 0.00 -1.02 0.00 0.00 32.46 28.14 1m4p n ARG 144 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76