#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4pnp n ALA 2 N 0.00 -3.86 -1.69 -5.12 0.00 -1.26 -4.80 120.51 103.79 4pnp n ALA 2 Ca 0.00 -1.56 -0.61 0.00 0.00 0.00 0.00 53.44 51.27 4pnp n ALA 2 Cb 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.25 4pnp n ALA 2 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 4pnp n ASN 3 N -5.10 1.59 0.06 0.00 2.85 -1.26 -4.85 115.26 108.55 4pnp n ASN 3 Ca 0.14 1.13 0.11 0.00 -0.11 0.00 0.00 54.58 55.86 4pnp n ASN 3 Cb 0.58 -1.03 -0.06 0.00 1.24 0.00 0.00 39.78 40.51 4pnp n ASN 3 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 4pnp n GLY 4 N 3.61 -1.27 3.72 8.20 0.00 -1.26 -4.93 105.19 113.25 4pnp n GLY 4 Ca 0.26 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 4pnp n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 4pnp s TYR 5 N -3.41 3.57 0.65 1.61 2.02 -1.26 -5.05 117.35 115.48 4pnp s TYR 5 Ca -0.03 1.53 -0.04 0.00 -0.37 0.00 0.00 57.07 58.16 4pnp s TYR 5 Cb 0.12 -3.26 0.05 0.00 -0.40 0.00 0.00 41.96 38.47 4pnp s TYR 5 CO 0.84 -0.58 0.94 0.95 -1.57 0.00 0.00 175.55 176.12 4pnp s THR 6 N 0.80 2.54 0.25 -0.71 -4.23 -1.26 -4.95 115.64 108.08 4pnp s THR 6 Ca 0.54 -0.34 -0.05 0.00 -1.18 0.00 0.00 61.69 60.65 4pnp s THR 6 Cb -0.26 -3.05 0.24 0.00 1.34 0.00 0.00 72.50 70.77 4pnp s THR 6 CO 0.29 -0.05 1.89 0.22 -0.54 0.00 0.00 174.62 176.44 4pnp h TYR 7 N -0.38 1.15 -0.61 3.99 3.20 -2.01 -2.09 116.97 120.22 4pnp h TYR 7 Ca -0.44 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.47 4pnp h TYR 7 Cb 1.30 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 4pnp h TYR 7 CO 0.36 0.66 0.40 0.93 -1.64 0.00 0.00 178.16 178.87 4pnp h GLU 8 N 1.19 0.78 -0.60 1.82 3.07 -1.98 -1.64 114.58 117.21 4pnp h GLU 8 Ca 0.38 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 59.21 4pnp h GLU 8 Cb 0.00 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 27.70 4pnp h GLU 8 CO -0.12 0.52 0.37 -0.44 -1.40 0.00 0.00 179.01 177.94 4pnp h ASP 9 N 0.80 0.62 -0.38 1.42 3.32 -1.74 0.22 116.42 120.68 4pnp h ASP 9 Ca 0.23 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 4pnp h ASP 9 Cb -0.06 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 4pnp h ASP 9 CO -0.05 0.43 0.08 1.88 -1.72 0.00 0.00 179.24 179.86 4pnp h TYR 10 N 0.74 0.65 -0.62 4.55 0.05 -1.34 -2.70 116.97 118.29 4pnp h TYR 10 Ca 0.24 -0.08 0.02 0.00 0.05 0.00 0.00 58.73 58.95 4pnp h TYR 10 Cb 0.00 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.53 4pnp h TYR 10 CO -0.05 0.64 0.40 1.96 -1.05 0.00 0.00 178.16 180.06 4pnp h GLN 11 N 0.47 0.77 -0.30 4.88 4.20 -0.69 -1.19 115.11 123.24 4pnp h GLN 11 Ca 0.12 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.79 4pnp h GLN 11 Cb 0.33 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 4pnp h GLN 11 CO 0.00 0.51 0.18 -0.44 -0.67 0.00 0.00 178.83 178.42 4pnp h ASP 12 N 0.79 0.31 -0.72 1.46 3.32 -0.47 -0.60 116.42 120.51 4pnp h ASP 12 Ca 0.24 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 4pnp h ASP 12 Cb -0.03 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 4pnp h ASP 12 CO -0.08 0.22 0.29 0.74 -1.72 0.00 0.00 179.24 178.69 4pnp h THR 13 N 0.38 1.25 -0.32 0.35 2.02 -1.22 -0.73 112.91 114.63 4pnp h THR 13 Ca 0.12 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 4pnp h THR 13 Cb -0.02 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 4pnp h THR 13 CO -0.04 0.32 0.17 0.00 0.37 0.00 0.00 175.52 176.34 4pnp h ALA 14 N 1.14 0.42 -0.74 6.16 0.00 -0.82 -1.35 119.26 124.06 4pnp h ALA 14 Ca 0.24 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 4pnp h ALA 14 Cb 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 4pnp h ALA 14 CO -0.02 -0.05 0.24 0.87 0.00 0.00 0.00 179.25 180.29 4pnp h LYS 15 N 0.40 1.15 -0.29 0.00 1.79 -0.93 -0.42 116.57 118.27 4pnp h LYS 15 Ca 0.11 -0.24 0.01 0.00 -2.18 0.00 0.00 60.65 58.35 4pnp h LYS 15 Cb 0.07 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 4pnp h LYS 15 CO -0.02 0.97 0.18 2.35 -1.08 0.00 0.00 179.45 181.85 4pnp h TRP 16 N 1.10 0.34 -0.38 -1.35 7.01 -0.83 -0.99 115.95 120.86 4pnp h TRP 16 Ca 0.24 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.23 4pnp h TRP 16 Cb 0.30 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 4pnp h TRP 16 CO 0.02 0.20 0.16 -0.07 -2.79 0.00 0.00 178.44 175.97 4pnp h LEU 17 N 0.37 0.51 -1.79 0.65 3.38 -0.85 -2.57 115.31 115.01 4pnp h LEU 17 Ca 0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 4pnp h LEU 17 Cb -0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 4pnp h LEU 17 CO -0.04 0.52 -0.04 -0.07 0.09 0.00 0.00 178.44 178.90 4pnp h LEU 18 N 0.46 0.07 -0.59 1.67 3.38 -0.80 -1.13 115.31 118.38 4pnp h LEU 18 Ca 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 4pnp h LEU 18 Cb 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.89 4pnp h LEU 18 CO -0.01 0.13 -0.07 -1.54 0.09 0.00 0.00 178.44 177.03 4pnp n SER 19 N -4.44 0.98 -0.20 -0.43 3.41 -0.40 -3.83 113.62 108.71 4pnp n SER 19 Ca -0.02 -1.13 0.03 0.00 -0.26 0.00 0.00 58.87 57.49 4pnp n SER 19 Cb 0.15 0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.12 4pnp n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 4pnp n HIS 20 N -0.38 0.00 -3.84 7.33 8.25 -0.46 -5.00 115.22 121.12 4pnp n HIS 20 Ca 0.18 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.52 4pnp n HIS 20 Cb 0.30 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.31 4pnp n HIS 20 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 4pnp s THR 21 N -0.95 0.06 -0.44 1.59 -1.32 -1.01 -5.03 115.64 108.55 4pnp s THR 21 Ca 0.07 -0.47 0.23 0.00 -1.21 0.00 0.00 61.69 60.31 4pnp s THR 21 Cb 0.06 -0.42 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 4pnp s THR 21 CO 0.15 -0.26 1.15 1.05 -2.21 0.00 0.00 174.62 174.50 4pnp h GLU 22 N 4.66 0.00 -6.98 7.08 9.09 -1.90 -3.44 114.58 123.10 4pnp h GLU 22 Ca -0.29 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.59 4pnp h GLU 22 Cb 1.19 0.00 0.08 0.00 -1.65 0.00 0.00 28.75 28.38 4pnp h GLU 22 CO 0.40 0.00 0.57 -0.65 0.05 0.00 0.00 179.01 179.38 4pnp s GLN 23 N -3.27 3.79 -0.47 1.06 -0.21 -1.26 -5.00 119.66 114.30 4pnp s GLN 23 Ca 0.03 2.06 0.04 0.00 0.02 0.00 0.00 55.36 57.51 4pnp s GLN 23 Cb 0.12 -2.59 0.17 0.00 1.00 0.00 0.00 33.01 31.71 4pnp s GLN 23 CO 0.77 -0.61 0.37 1.03 -2.12 0.00 0.00 175.29 174.73 4pnp s ARG 24 N -2.46 1.22 0.50 2.91 1.81 -1.26 -4.99 118.95 116.69 4pnp s ARG 24 Ca 0.61 -2.36 -0.21 0.00 -1.72 0.00 0.00 55.73 52.05 4pnp s ARG 24 Cb -0.36 -1.83 -0.07 0.00 -0.45 0.00 0.00 34.95 32.24 4pnp s ARG 24 CO 0.45 -1.36 1.13 -1.25 -0.68 0.00 0.00 175.30 173.58 4pnp s PRO 25 N -0.24 3.58 0.00 3.54 0.04 -1.26 -4.94 135.00 135.72 4pnp s PRO 25 Ca 0.31 1.63 0.10 0.00 0.04 0.00 0.00 61.00 63.08 4pnp s PRO 25 Cb 0.02 -2.18 -0.00 0.00 0.04 0.00 0.00 34.50 32.38 4pnp s PRO 25 CO -0.19 -0.67 0.64 1.04 0.04 0.00 0.00 177.00 177.86 4pnp n GLN 26 N -0.93 2.06 -4.86 4.56 6.02 -1.22 -3.93 117.38 119.08 4pnp n GLN 26 Ca 0.10 -0.61 -0.26 0.00 -0.01 0.00 0.00 57.00 56.22 4pnp n GLN 26 Cb 0.50 -1.08 -0.16 0.00 1.02 0.00 0.00 30.24 30.52 4pnp n GLN 26 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 4pnp s VAL 27 N -1.35 1.43 0.02 5.09 1.01 -1.26 -0.86 120.40 124.48 4pnp s VAL 27 Ca 0.08 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.39 4pnp s VAL 27 Cb 0.08 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 4pnp s VAL 27 CO 0.25 0.41 -0.24 0.00 0.00 0.00 0.00 175.10 175.52 4pnp s ALA 28 N -0.25 2.03 -0.07 5.51 0.00 -0.28 -1.90 121.76 126.81 4pnp s ALA 28 Ca 0.03 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.87 4pnp s ALA 28 Cb -0.09 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.59 4pnp s ALA 28 CO 0.00 0.48 -0.07 0.08 0.00 0.00 0.00 175.76 176.25 4pnp s VAL 29 N -0.70 0.85 -0.31 0.00 1.01 0.00 -0.67 120.40 120.58 4pnp s VAL 29 Ca 0.10 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 4pnp s VAL 29 Cb -0.09 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 4pnp s VAL 29 CO 0.01 0.31 0.15 -0.63 0.00 0.00 0.00 175.10 174.94 4pnp s ILE 30 N 1.17 4.58 -0.25 2.22 1.01 -0.14 0.15 121.20 129.95 4pnp s ILE 30 Ca -0.06 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 4pnp s ILE 30 Cb -0.14 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 4pnp s ILE 30 CO -0.02 0.08 0.49 0.00 0.00 0.00 0.00 174.94 175.50 4pnp n GLY 32 N 4.29 -0.59 3.70 0.00 0.00 -1.11 -2.86 105.19 108.63 4pnp n GLY 32 Ca -0.05 -1.67 -0.44 0.00 0.00 0.00 0.00 46.02 43.87 4pnp n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 4pnp n SER 33 N -0.36 3.61 -0.74 1.61 7.64 -1.26 -2.12 113.62 122.00 4pnp n SER 33 Ca 0.00 1.08 -0.10 0.00 1.01 0.00 0.00 58.87 60.86 4pnp n SER 33 Cb 0.00 -1.52 -0.04 0.00 -1.01 0.00 0.00 64.21 61.64 4pnp n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4pnp n GLY 34 N 3.56 1.02 0.21 0.23 0.00 -1.25 -4.43 105.19 104.53 4pnp n GLY 34 Ca 0.16 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.04 4pnp n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 4pnp n LEU 35 N -1.10 2.36 0.03 0.99 4.77 -0.90 -4.42 117.00 118.73 4pnp n LEU 35 Ca -0.10 -2.18 0.05 0.00 -0.03 0.00 0.00 56.01 53.75 4pnp n LEU 35 Cb 0.47 -0.13 0.22 0.00 -2.33 0.00 0.00 43.42 41.64 4pnp n LEU 35 CO 0.15 0.59 0.65 0.61 -1.33 0.00 0.00 177.39 178.06 4pnp n GLY 36 N -0.36 -0.79 0.07 -0.72 0.00 -1.26 -2.42 105.19 99.71 4pnp n GLY 36 Ca 0.06 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.20 4pnp n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4pnp n GLY 37 N -0.81 -1.28 0.29 -0.02 0.00 -1.26 -3.32 105.19 98.79 4pnp n GLY 37 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 4pnp n GLY 37 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 4pnp h LEU 38 N 0.00 0.00 -1.84 0.99 5.85 -1.87 -0.54 115.31 117.90 4pnp h LEU 38 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 4pnp h LEU 38 Cb 0.40 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 4pnp h LEU 38 CO 0.00 0.00 -0.10 -0.37 -0.34 0.00 0.00 178.44 177.63 4pnp h VAL 39 N 0.00 0.41 -0.34 1.05 -1.51 -1.83 -3.05 116.25 110.98 4pnp h VAL 39 Ca 0.04 -0.56 0.10 0.00 -1.23 0.00 0.00 66.70 65.05 4pnp h VAL 39 Cb 0.17 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 4pnp h VAL 39 CO -0.00 0.10 0.28 0.78 -1.23 0.00 0.00 177.57 177.50 4pnp h ASN 40 N 0.00 0.00 0.69 4.19 2.35 -1.34 -0.27 115.58 121.20 4pnp h ASN 40 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 4pnp h ASN 40 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 4pnp h ASN 40 CO 0.01 0.00 -0.13 0.29 -1.65 0.00 0.00 177.43 175.95 4pnp n LYS 41 N -4.20 0.22 -2.37 0.81 4.01 -1.15 -4.89 118.16 110.58 4pnp n LYS 41 Ca 0.05 -0.05 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 4pnp n LYS 41 Cb 0.45 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.44 4pnp n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 4pnp s LEU 42 N -2.82 4.39 0.22 -0.35 1.43 -0.12 -4.75 118.68 116.68 4pnp s LEU 42 Ca 0.19 2.12 0.07 0.00 -1.03 0.00 0.00 54.13 55.48 4pnp s LEU 42 Cb 0.19 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 4pnp s LEU 42 CO 0.54 -0.48 0.12 0.42 0.23 0.00 0.00 176.35 177.19 4pnp s THR 43 N 0.79 4.21 -1.50 5.49 -4.23 -0.42 -4.43 115.64 115.54 4pnp s THR 43 Ca 0.58 -1.40 -0.06 0.00 -1.18 0.00 0.00 61.69 59.64 4pnp s THR 43 Cb -0.32 -3.21 0.02 0.00 1.34 0.00 0.00 72.50 70.33 4pnp s THR 43 CO 0.31 -0.25 0.64 1.67 -0.54 0.00 0.00 174.62 176.45 4pnp n GLN 44 N -0.76 -4.89 -2.48 3.99 7.27 -1.26 -0.33 117.38 118.92 4pnp n GLN 44 Ca -0.08 0.83 -0.41 0.00 0.07 0.00 0.00 57.00 57.40 4pnp n GLN 44 Cb 0.57 -5.68 -0.03 0.00 2.41 0.00 0.00 30.24 27.50 4pnp n GLN 44 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 4pnp s ALA 45 N -3.15 3.37 -0.10 1.69 0.00 -1.25 -4.33 121.76 117.98 4pnp s ALA 45 Ca 0.35 0.82 0.02 0.00 0.00 0.00 0.00 51.96 53.14 4pnp s ALA 45 Cb -0.16 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.58 4pnp s ALA 45 CO 0.43 -0.31 -0.15 -1.14 0.00 0.00 0.00 175.76 174.59 4pnp s GLN 46 N 0.31 2.16 -0.05 0.00 0.74 0.79 -4.95 119.66 118.66 4pnp s GLN 46 Ca 0.53 -0.54 0.01 0.00 0.05 0.00 0.00 55.36 55.41 4pnp s GLN 46 Cb -0.29 -1.83 -0.03 0.00 1.10 0.00 0.00 33.01 31.96 4pnp s GLN 46 CO 0.32 -0.04 -0.06 0.99 -0.55 0.00 0.00 175.29 175.95 4pnp s THR 47 N 0.93 3.74 -0.07 -0.34 2.01 -1.26 -0.38 115.64 120.28 4pnp s THR 47 Ca -0.08 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.40 4pnp s THR 47 Cb -0.15 -2.56 0.01 0.00 0.01 0.00 0.00 72.50 69.82 4pnp s THR 47 CO -0.01 0.55 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.99 4pnp s PHE 48 N -0.87 1.44 0.36 4.92 0.08 0.09 -4.98 117.98 119.02 4pnp s PHE 48 Ca 0.14 -0.55 -0.26 0.00 0.12 0.00 0.00 56.93 56.39 4pnp s PHE 48 Cb -0.11 -1.07 -0.09 0.00 -0.57 0.00 0.00 43.02 41.18 4pnp s PHE 48 CO 0.03 -0.29 1.03 -0.51 -0.10 0.00 0.00 175.22 175.38 4pnp s ASP 49 N 0.76 7.00 0.43 1.36 1.01 -1.26 -0.23 116.67 125.74 4pnp s ASP 49 Ca -0.13 2.03 0.18 0.00 0.71 0.00 0.00 52.55 55.34 4pnp s ASP 49 Cb -0.15 -2.59 1.10 0.00 1.01 0.00 0.00 42.92 42.29 4pnp s ASP 49 CO 0.03 -0.32 1.86 1.88 0.21 0.00 0.00 175.17 178.83 4pnp h TYR 50 N 2.92 0.50 0.00 4.23 0.05 -1.59 0.45 116.97 123.53 4pnp h TYR 50 Ca -0.48 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.32 4pnp h TYR 50 Cb 1.21 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.79 4pnp h TYR 50 CO 0.59 0.14 0.00 0.66 -1.05 0.00 0.00 178.16 178.50 4pnp h SER 51 N 0.38 0.00 0.56 3.88 4.64 -1.83 -2.57 113.55 118.60 4pnp h SER 51 Ca 0.46 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.49 4pnp h SER 51 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 4pnp h SER 51 CO -0.16 0.00 -1.39 -0.33 -0.87 0.00 0.00 176.83 174.07 4pnp h GLU 52 N 0.00 0.23 -6.24 4.77 5.08 -1.27 -3.45 114.58 113.69 4pnp h GLU 52 Ca 0.00 -0.39 -0.57 0.00 -1.00 0.00 0.00 59.36 57.40 4pnp h GLU 52 Cb 0.31 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 4pnp h GLU 52 CO 0.00 1.12 0.94 0.42 -1.00 0.00 0.00 179.01 180.49 4pnp s ILE 53 N -2.64 4.20 0.18 3.13 1.01 -0.97 -4.98 121.20 121.13 4pnp s ILE 53 Ca -0.06 1.40 -0.33 0.00 0.00 0.00 0.00 60.65 61.66 4pnp s ILE 53 Cb 0.07 -4.06 -0.14 0.00 0.01 0.00 0.00 42.46 38.34 4pnp s ILE 53 CO 0.86 -0.30 1.53 -2.65 0.00 0.00 0.00 174.94 174.39 4pnp n PRO 54 N 6.97 2.09 -0.09 2.79 -0.02 -1.26 -1.87 135.00 143.61 4pnp n PRO 54 Ca 0.14 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 4pnp n PRO 54 Cb 0.46 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 4pnp n PRO 54 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 4pnp n ASN 55 N 3.10 0.00 -4.73 2.55 3.02 -1.26 -4.68 115.26 113.26 4pnp n ASN 55 Ca 0.16 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.29 4pnp n ASN 55 Cb 0.29 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 4pnp n ASN 55 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 4pnp s PHE 56 N -3.03 3.47 0.92 3.10 0.40 -0.78 -5.05 117.98 117.02 4pnp s PHE 56 Ca 0.00 1.45 -0.16 0.00 -0.60 0.00 0.00 56.93 57.62 4pnp s PHE 56 Cb 0.00 -3.39 0.23 0.00 0.51 0.00 0.00 43.02 40.37 4pnp s PHE 56 CO 0.00 -1.06 0.92 -2.30 0.70 0.00 0.00 175.22 173.48 4pnp n PRO 57 N 2.76 -2.28 -5.15 0.24 -0.02 -1.26 -4.77 135.00 124.52 4pnp n PRO 57 Ca 0.05 -1.45 -0.32 0.00 -2.02 0.00 0.00 63.50 59.76 4pnp n PRO 57 Cb 0.45 -1.24 -0.16 0.00 -0.02 0.00 0.00 33.50 32.53 4pnp n PRO 57 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 4pnp s GLU 58 N -5.06 2.71 -0.25 -0.52 2.12 -1.26 -4.69 118.70 111.75 4pnp s GLU 58 Ca 0.57 -0.85 -0.29 0.00 0.36 0.00 0.00 54.97 54.76 4pnp s GLU 58 Cb -0.04 -2.27 0.01 0.00 0.26 0.00 0.00 34.13 32.08 4pnp s GLU 58 CO 0.43 0.37 1.11 -1.12 -0.54 0.00 0.00 175.26 175.51 4pnp s SER 59 N -0.11 6.98 -0.01 -1.70 0.01 -1.26 -4.87 113.70 112.75 4pnp s SER 59 Ca -0.04 1.32 0.14 0.00 1.31 0.00 0.00 55.95 58.67 4pnp s SER 59 Cb -0.14 -2.54 -0.17 0.00 0.21 0.00 0.00 66.02 63.37 4pnp s SER 59 CO 0.04 -0.79 0.52 0.35 0.41 0.00 0.00 173.24 173.77 4pnp n THR 60 N 5.58 0.00 -2.76 1.44 -2.24 -1.26 -4.83 114.28 110.21 4pnp n THR 60 Ca 0.13 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 4pnp n THR 60 Cb 0.46 0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 69.40 4pnp n THR 60 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 4pnp s VAL 61 N -2.53 4.43 0.29 2.28 1.01 -1.26 -5.00 120.40 119.61 4pnp s VAL 61 Ca 0.02 2.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.73 4pnp s VAL 61 Cb 0.10 -4.30 -0.12 0.00 0.00 0.00 0.00 36.38 32.06 4pnp s VAL 61 CO 0.59 0.37 1.61 -2.65 0.00 0.00 0.00 175.10 175.02 4pnp n PRO 62 N 2.48 2.74 -0.32 2.72 -0.02 -1.26 -1.75 135.00 139.59 4pnp n PRO 62 Ca 0.01 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 4pnp n PRO 62 Cb 0.49 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 4pnp n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4pnp n GLY 63 N 2.27 0.72 2.91 -1.23 0.00 -1.26 -4.86 105.19 103.75 4pnp n GLY 63 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 4pnp n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 4pnp s HIS 64 N -2.42 3.07 0.44 1.61 3.76 -0.72 -3.94 115.29 117.10 4pnp s HIS 64 Ca 0.00 -3.10 0.26 0.00 -0.15 0.00 0.00 55.06 52.06 4pnp s HIS 64 Cb 0.00 -2.68 1.29 0.00 1.11 0.00 0.00 32.58 32.30 4pnp s HIS 64 CO 0.00 -0.72 1.74 0.00 -0.85 0.00 0.00 174.74 174.91 4pnp h ALA 65 N 6.38 2.58 -2.08 -1.40 0.00 -1.83 -3.44 119.26 119.47 4pnp h ALA 65 Ca -0.04 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 4pnp h ALA 65 Cb 0.88 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.77 4pnp h ALA 65 CO 0.67 -1.02 -0.12 0.41 0.00 0.00 0.00 179.25 179.19 4pnp n GLY 66 N -1.56 0.57 3.10 0.00 0.00 0.89 -4.98 105.19 103.22 4pnp n GLY 66 Ca 0.28 -0.48 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 4pnp n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4pnp s ARG 67 N -4.89 0.84 -0.26 1.61 0.52 -1.03 -1.49 118.95 114.26 4pnp s ARG 67 Ca 0.07 -0.64 -0.08 0.00 -0.52 0.00 0.00 55.73 54.56 4pnp s ARG 67 Cb -0.03 -0.81 -0.03 0.00 0.52 0.00 0.00 34.95 34.60 4pnp s ARG 67 CO 0.12 0.20 0.10 -1.17 0.02 0.00 0.00 175.30 174.57 4pnp s LEU 68 N -0.92 3.58 -0.16 2.53 2.96 0.69 -0.59 118.68 126.77 4pnp s LEU 68 Ca 0.01 -0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 53.72 4pnp s LEU 68 Cb -0.07 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.66 4pnp s LEU 68 CO 0.01 -0.05 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.15 4pnp s VAL 69 N 1.64 2.65 -0.05 1.68 1.01 0.13 -0.73 120.40 126.72 4pnp s VAL 69 Ca 0.06 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 4pnp s VAL 69 Cb -0.15 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 4pnp s VAL 69 CO 0.05 0.51 0.20 -0.36 0.00 0.00 0.00 175.10 175.50 4pnp s PHE 70 N 0.94 3.59 0.00 5.22 0.40 0.49 -0.01 117.98 128.61 4pnp s PHE 70 Ca -0.03 0.53 0.00 0.00 -0.60 0.00 0.00 56.93 56.83 4pnp s PHE 70 Cb -0.15 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.43 4pnp s PHE 70 CO -0.02 0.67 0.00 0.41 0.70 0.00 0.00 175.22 176.98 4pnp n GLY 71 N 1.46 -1.01 3.62 4.36 0.00 -0.40 -0.15 105.19 113.06 4pnp n GLY 71 Ca -0.15 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 4pnp n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4pnp s ILE 72 N -2.00 4.87 -0.23 -0.61 -1.09 0.55 -0.01 121.20 122.69 4pnp s ILE 72 Ca 0.00 0.00 0.02 0.00 -2.23 0.00 0.00 60.65 58.44 4pnp s ILE 72 Cb 0.00 -3.23 0.05 0.00 -1.58 0.00 0.00 42.46 37.70 4pnp s ILE 72 CO 0.00 0.41 -0.10 -0.22 -1.23 0.00 0.00 174.94 173.80 4pnp s LEU 73 N 0.72 2.73 -1.28 2.97 2.96 0.72 -1.30 118.68 126.19 4pnp s LEU 73 Ca 0.05 -1.10 -0.01 0.00 -0.22 0.00 0.00 54.13 52.84 4pnp s LEU 73 Cb -0.13 -1.35 -0.00 0.00 0.50 0.00 0.00 46.19 45.21 4pnp s LEU 73 CO 0.02 -0.17 0.73 -3.20 -1.32 0.00 0.00 176.35 172.41 4pnp n ASN 74 N 4.59 -1.58 0.00 3.68 4.05 -1.26 -1.25 115.26 123.49 4pnp n ASN 74 Ca -0.14 -0.81 0.00 0.00 0.45 0.00 0.00 54.58 54.07 4pnp n ASN 74 Cb 0.45 -4.14 0.00 0.00 1.23 0.00 0.00 39.78 37.32 4pnp n ASN 74 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 4pnp n GLY 75 N -1.54 0.35 3.28 8.20 0.00 -1.26 -4.71 105.19 109.50 4pnp n GLY 75 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 4pnp n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 4pnp s ARG 76 N -0.81 3.22 0.10 1.61 6.06 -0.38 -5.08 118.95 123.66 4pnp s ARG 76 Ca 0.00 -0.76 -0.31 0.00 -2.50 0.00 0.00 55.73 52.16 4pnp s ARG 76 Cb 0.00 -2.56 -0.07 0.00 0.06 0.00 0.00 34.95 32.38 4pnp s ARG 76 CO 0.00 0.09 1.34 0.00 -2.50 0.00 0.00 175.30 174.23 4pnp s ALA 77 N 0.62 3.54 0.10 6.12 0.00 -1.26 -0.20 121.76 130.68 4pnp s ALA 77 Ca -0.09 1.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.86 4pnp s ALA 77 Cb -0.16 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 4pnp s ALA 77 CO 0.03 -0.58 0.12 0.00 0.00 0.00 0.00 175.76 175.33 4pnp s VAL 79 N -3.93 1.56 -0.05 0.00 0.11 -0.80 -1.27 120.40 116.03 4pnp s VAL 79 Ca 0.11 -0.68 0.05 0.00 -2.93 0.00 0.00 61.98 58.53 4pnp s VAL 79 Cb 0.06 -1.42 -0.02 0.00 -1.53 0.00 0.00 36.38 33.47 4pnp s VAL 79 CO -0.06 0.45 -0.20 -0.04 -3.33 0.00 0.00 175.10 171.92 4pnp s MET 80 N 0.93 2.43 -0.61 1.54 -1.94 0.98 -0.82 119.30 121.81 4pnp s MET 80 Ca -0.07 -0.81 -0.19 0.00 -1.71 0.00 0.00 55.69 52.90 4pnp s MET 80 Cb -0.15 -2.24 0.11 0.00 2.01 0.00 0.00 34.83 34.56 4pnp s MET 80 CO -0.01 0.54 0.73 -1.64 -0.01 0.00 0.00 175.02 174.63 4pnp s MET 81 N -0.53 3.08 -1.12 2.03 -1.94 0.12 -0.70 119.30 120.25 4pnp s MET 81 Ca 0.07 -1.35 -0.20 0.00 -1.71 0.00 0.00 55.69 52.51 4pnp s MET 81 Cb -0.11 -4.29 0.08 0.00 2.01 0.00 0.00 34.83 32.52 4pnp s MET 81 CO 0.01 -1.56 1.50 -1.14 -0.01 0.00 0.00 175.02 173.82 4pnp s GLN 82 N 2.68 3.78 0.00 2.03 0.74 0.24 -0.96 119.66 128.17 4pnp s GLN 82 Ca 0.13 -1.66 0.00 0.00 0.05 0.00 0.00 55.36 53.87 4pnp s GLN 82 Cb -0.23 -5.32 0.00 0.00 1.10 0.00 0.00 33.01 28.56 4pnp s GLN 82 CO 0.05 -2.11 0.00 0.41 -0.55 0.00 0.00 175.29 173.09 4pnp n GLY 83 N 5.89 2.77 1.10 2.59 0.00 -1.13 -0.07 105.19 116.33 4pnp n GLY 83 Ca 0.37 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 4pnp n GLY 83 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 4pnp n ARG 84 N 0.54 0.55 -4.30 1.61 1.85 -1.26 -4.72 116.66 110.93 4pnp n ARG 84 Ca 0.00 -1.13 -0.29 0.00 -1.00 0.00 0.00 57.85 55.43 4pnp n ARG 84 Cb 0.00 0.73 -0.11 0.00 -1.05 0.00 0.00 32.46 32.03 4pnp n ARG 84 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 4pnp s PHE 85 N -2.20 2.56 0.06 2.89 0.08 -1.26 -4.66 117.98 115.45 4pnp s PHE 85 Ca 0.09 -0.25 0.04 0.00 0.12 0.00 0.00 56.93 56.93 4pnp s PHE 85 Cb 0.00 -1.34 -0.03 0.00 -0.57 0.00 0.00 43.02 41.09 4pnp s PHE 85 CO 0.07 0.41 -0.12 -1.01 -0.10 0.00 0.00 175.22 174.47 4pnp s HIS 86 N -1.25 1.01 0.28 0.36 3.76 -1.26 -4.92 115.29 113.27 4pnp s HIS 86 Ca 0.19 -0.47 -0.02 0.00 -0.15 0.00 0.00 55.06 54.62 4pnp s HIS 86 Cb -0.10 -0.58 0.43 0.00 1.11 0.00 0.00 32.58 33.44 4pnp s HIS 86 CO 0.11 0.00 1.90 1.98 -0.85 0.00 0.00 174.74 177.89 4pnp h MET 87 N 4.40 1.12 0.00 1.40 4.05 -1.81 -1.40 114.93 122.69 4pnp h MET 87 Ca -0.39 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 4pnp h MET 87 Cb 1.19 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.74 4pnp h MET 87 CO 0.40 0.74 0.00 2.48 0.23 0.00 0.00 176.91 180.77 4pnp n TYR 88 N -4.48 0.40 0.88 1.39 0.18 -1.26 -0.41 117.16 113.86 4pnp n TYR 88 Ca 0.14 0.19 0.14 0.00 1.88 0.00 0.00 57.90 60.25 4pnp n TYR 88 Cb 0.16 -0.81 0.55 0.00 -0.38 0.00 0.00 39.34 38.86 4pnp n TYR 88 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 4pnp n GLU 89 N -1.90 0.08 0.00 -3.48 1.02 -0.53 -4.82 120.64 111.01 4pnp n GLU 89 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 4pnp n GLU 89 Cb 0.07 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 4pnp n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 4pnp n GLY 90 N 1.42 0.97 3.72 0.62 0.00 0.45 -5.08 105.19 107.29 4pnp n GLY 90 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 4pnp n GLY 90 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 4pnp s TYR 91 N -2.00 3.56 0.68 1.61 2.02 -1.15 -5.06 117.35 117.00 4pnp s TYR 91 Ca 0.00 1.11 -0.12 0.00 -0.37 0.00 0.00 57.07 57.69 4pnp s TYR 91 Cb 0.00 -2.70 0.01 0.00 -0.40 0.00 0.00 41.96 38.87 4pnp s TYR 91 CO 0.00 0.13 1.07 -1.25 -1.57 0.00 0.00 175.55 173.93 4pnp s PRO 92 N 0.69 2.90 0.52 -1.71 0.04 -1.26 -4.20 135.00 131.97 4pnp s PRO 92 Ca 0.33 1.07 0.19 0.00 0.04 0.00 0.00 61.00 62.63 4pnp s PRO 92 Cb -0.17 -1.98 1.30 0.00 0.04 0.00 0.00 34.50 33.69 4pnp s PRO 92 CO 0.15 -1.14 2.10 0.74 0.04 0.00 0.00 177.00 178.89 4pnp h PHE 93 N -0.48 0.01 0.00 0.56 0.04 -1.96 -0.90 116.94 114.22 4pnp h PHE 93 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 4pnp h PHE 93 Cb 1.22 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 4pnp h PHE 93 CO 0.60 0.01 0.00 0.11 -0.60 0.00 0.00 178.31 178.43 4pnp h TRP 94 N 0.01 0.00 0.07 -0.55 5.08 -1.89 0.08 115.95 118.76 4pnp h TRP 94 Ca 0.09 0.00 -0.37 0.00 1.08 0.00 0.00 58.89 59.68 4pnp h TRP 94 Cb 0.33 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.45 4pnp h TRP 94 CO -0.00 0.00 -2.18 1.63 -1.28 0.00 0.00 178.44 176.61 4pnp n LYS 95 N -2.54 0.71 -0.20 0.12 5.02 -0.42 -3.56 118.16 117.30 4pnp n LYS 95 Ca 0.01 0.23 0.02 0.00 -2.02 0.00 0.00 58.31 56.55 4pnp n LYS 95 Cb 0.21 -1.63 0.28 0.00 -0.02 0.00 0.00 35.03 33.87 4pnp n LYS 95 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 4pnp h VAL 96 N -0.02 1.14 -0.24 -0.18 2.07 -0.90 -2.67 116.25 115.45 4pnp h VAL 96 Ca -0.49 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.71 4pnp h VAL 96 Cb 1.95 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 4pnp h VAL 96 CO -0.00 0.17 0.00 0.35 0.02 0.00 0.00 177.57 178.11 4pnp n THR 97 N -4.44 0.31 -0.20 2.57 -2.24 -0.03 -4.60 114.28 105.65 4pnp n THR 97 Ca 0.09 -0.53 0.01 0.00 -2.27 0.00 0.00 64.05 61.35 4pnp n THR 97 Cb 0.08 0.74 0.10 0.00 -2.10 0.00 0.00 70.33 69.16 4pnp n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 4pnp h PHE 98 N 3.43 0.00 -0.74 4.78 3.57 -1.52 -2.28 116.94 124.18 4pnp h PHE 98 Ca 0.00 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.60 4pnp h PHE 98 Cb 0.75 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 4pnp h PHE 98 CO 0.15 -0.14 0.48 -1.35 -2.23 0.00 0.00 178.31 175.22 4pnp h PRO 99 N 0.14 0.79 -0.55 6.41 0.11 -1.82 -2.86 132.00 134.22 4pnp h PRO 99 Ca 0.32 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.43 4pnp h PRO 99 Cb 0.52 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.41 4pnp h PRO 99 CO -0.51 0.52 0.29 0.28 -0.21 0.00 0.00 178.00 178.37 4pnp h VAL 100 N 0.81 0.97 -0.12 3.15 2.07 -1.75 0.19 116.25 121.58 4pnp h VAL 100 Ca 0.31 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.50 4pnp h VAL 100 Cb 0.18 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 4pnp h VAL 100 CO -0.10 0.10 -0.51 0.03 0.02 0.00 0.00 177.57 177.12 4pnp h ARG 101 N 0.56 0.32 -0.52 1.57 3.08 -1.60 -2.07 114.38 115.73 4pnp h ARG 101 Ca 0.24 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 4pnp h ARG 101 Cb 0.13 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 4pnp h ARG 101 CO -0.15 0.76 0.19 0.28 -1.07 0.00 0.00 179.97 179.97 4pnp h VAL 102 N 0.25 1.22 -0.61 2.04 2.07 -1.17 -1.54 116.25 118.52 4pnp h VAL 102 Ca 0.01 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.85 4pnp h VAL 102 Cb 0.98 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 4pnp h VAL 102 CO 0.08 0.27 0.36 -0.26 0.02 0.00 0.00 177.57 178.04 4pnp h PHE 103 N 0.70 0.67 -0.58 1.57 0.04 -0.39 -1.16 116.94 117.79 4pnp h PHE 103 Ca 0.17 0.02 0.04 0.00 2.80 0.00 0.00 57.97 61.00 4pnp h PHE 103 Cb 0.23 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 4pnp h PHE 103 CO 0.01 0.37 0.33 -0.09 -0.60 0.00 0.00 178.31 178.33 4pnp h ARG 104 N 0.70 0.61 0.00 1.51 9.65 -0.96 -0.60 114.38 125.30 4pnp h ARG 104 Ca 0.25 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.10 4pnp h ARG 104 Cb 0.07 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 4pnp h ARG 104 CO -0.12 0.41 0.00 1.28 2.80 0.00 0.00 179.97 184.33 4pnp n LEU 105 N -4.80 0.00 0.01 3.80 4.77 -0.54 -1.91 117.00 118.33 4pnp n LEU 105 Ca 0.06 0.21 0.11 0.00 -0.03 0.00 0.00 56.01 56.35 4pnp n LEU 105 Cb 0.12 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 4pnp n LEU 105 CO 0.30 -0.08 0.02 0.18 -1.33 0.00 0.00 177.39 176.48 4pnp n LEU 106 N -1.21 0.71 0.00 2.23 4.77 -0.31 -4.90 117.00 118.28 4pnp n LEU 106 Ca 0.11 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 4pnp n LEU 106 Cb 0.13 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 4pnp n LEU 106 CO 0.14 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 4pnp n GLY 107 N 1.44 0.83 3.77 -0.72 0.00 -0.80 -4.85 105.19 104.86 4pnp n GLY 107 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 4pnp n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4pnp s VAL 108 N -2.00 2.67 -0.01 1.61 1.01 -0.72 -4.70 120.40 118.27 4pnp s VAL 108 Ca 0.00 0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.67 4pnp s VAL 108 Cb 0.00 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 4pnp s VAL 108 CO 0.00 0.16 0.02 -0.62 0.00 0.00 0.00 175.10 174.66 4pnp n GLU 109 N 0.86 1.49 -4.88 2.72 1.02 -0.04 -4.49 120.64 117.33 4pnp n GLU 109 Ca 0.00 -0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.88 4pnp n GLU 109 Cb 0.42 -1.03 -0.15 0.00 -0.02 0.00 0.00 31.44 30.65 4pnp n GLU 109 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 4pnp s THR 110 N -2.07 1.45 -0.11 2.62 2.01 -0.69 -1.05 115.64 117.80 4pnp s THR 110 Ca -0.01 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.23 4pnp s THR 110 Cb 0.01 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.33 4pnp s THR 110 CO 0.06 0.41 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.02 4pnp s LEU 111 N -0.42 1.76 -0.21 4.42 2.96 0.67 -1.12 118.68 126.75 4pnp s LEU 111 Ca 0.07 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 53.49 4pnp s LEU 111 Cb -0.07 -1.12 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 4pnp s LEU 111 CO -0.01 0.03 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.35 4pnp s VAL 112 N 0.94 3.82 -0.05 1.68 1.01 0.15 -2.09 120.40 125.86 4pnp s VAL 112 Ca -0.07 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.59 4pnp s VAL 112 Cb -0.15 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 4pnp s VAL 112 CO -0.01 0.42 -0.15 0.68 0.00 0.00 0.00 175.10 176.05 4pnp s VAL 113 N 1.15 3.04 0.08 2.92 -7.23 -0.63 -0.96 120.40 118.76 4pnp s VAL 113 Ca 0.03 -0.73 0.03 0.00 -1.81 0.00 0.00 61.98 59.49 4pnp s VAL 113 Cb -0.14 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 4pnp s VAL 113 CO 0.01 0.59 -0.08 0.42 -0.31 0.00 0.00 175.10 175.73 4pnp s THR 114 N -0.73 0.74 0.18 5.32 -4.23 -0.79 -1.62 115.64 114.51 4pnp s THR 114 Ca 0.11 -1.52 -0.24 0.00 -1.18 0.00 0.00 61.69 58.86 4pnp s THR 114 Cb -0.11 -1.19 0.05 0.00 1.34 0.00 0.00 72.50 72.60 4pnp s THR 114 CO 0.00 -0.58 0.78 0.54 -0.54 0.00 0.00 174.62 174.83 4pnp s ASN 115 N -2.30 -0.32 -0.06 3.99 6.03 -0.99 -2.73 114.94 118.56 4pnp s ASN 115 Ca 0.02 -0.34 -0.10 0.00 -1.03 0.00 0.00 52.86 51.40 4pnp s ASN 115 Cb -0.03 0.59 -0.05 0.00 -3.03 0.00 0.00 41.25 38.73 4pnp s ASN 115 CO -0.01 -1.05 0.27 0.00 -2.03 0.00 0.00 177.10 174.27 4pnp s ALA 116 N -3.60 3.80 0.03 3.54 0.00 -1.26 -0.60 121.76 123.66 4pnp s ALA 116 Ca 0.08 -0.45 -0.08 0.00 0.00 0.00 0.00 51.96 51.51 4pnp s ALA 116 Cb -0.03 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.93 4pnp s ALA 116 CO -0.01 0.56 0.17 0.00 0.00 0.00 0.00 175.76 176.48 4pnp s ALA 117 N -1.07 -0.29 0.00 0.00 0.00 0.45 -4.80 121.76 116.05 4pnp s ALA 117 Ca 0.20 -0.32 -0.21 0.00 0.00 0.00 0.00 51.96 51.63 4pnp s ALA 117 Cb -0.14 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 4pnp s ALA 117 CO 0.09 -0.33 0.62 0.20 0.00 0.00 0.00 175.76 176.34 4pnp s GLY 118 N -2.00 2.64 -0.06 0.00 0.00 -0.49 -1.28 107.32 106.13 4pnp s GLY 118 Ca -0.06 0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.42 4pnp s GLY 118 CO -0.03 0.79 0.99 -0.32 0.00 0.00 0.00 173.10 174.53 4pnp s GLY 119 N -0.19 2.60 -0.23 0.20 0.00 0.54 -1.24 107.32 109.00 4pnp s GLY 119 Ca 0.32 0.44 0.04 0.00 0.00 0.00 0.00 44.72 45.52 4pnp s GLY 119 CO 0.18 1.80 -0.17 1.04 0.00 0.00 0.00 173.10 175.95 4pnp n LEU 120 N 4.49 2.46 -4.68 0.66 4.77 0.29 -2.62 117.00 122.37 4pnp n LEU 120 Ca 0.07 -0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 4pnp n LEU 120 Cb 0.50 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 4pnp n LEU 120 CO 0.52 0.84 1.24 0.21 -1.33 0.00 0.00 177.39 178.87 4pnp s ASN 121 N -6.19 6.74 0.60 -1.43 3.84 -0.82 -4.88 114.94 112.80 4pnp s ASN 121 Ca -0.29 2.21 0.31 0.00 0.21 0.00 0.00 52.86 55.31 4pnp s ASN 121 Cb 0.08 -2.55 1.87 0.00 -0.55 0.00 0.00 41.25 40.10 4pnp s ASN 121 CO 0.60 -0.83 2.24 1.55 -2.79 0.00 0.00 177.10 177.88 4pnp h PRO 122 N 8.49 0.00 0.00 0.43 0.13 -1.92 -2.10 132.00 137.03 4pnp h PRO 122 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 4pnp h PRO 122 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 4pnp h PRO 122 CO 0.93 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.79 4pnp n ASN 123 N -3.74 0.64 -4.82 1.44 3.02 -1.26 -4.79 115.26 105.75 4pnp n ASN 123 Ca -0.02 0.62 -0.33 0.00 -0.03 0.00 0.00 54.58 54.82 4pnp n ASN 123 Cb 0.12 -0.77 -0.04 0.00 -0.61 0.00 0.00 39.78 38.48 4pnp n ASN 123 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 4pnp s PHE 124 N -3.22 3.29 0.13 3.10 0.08 -0.79 -5.07 117.98 115.49 4pnp s PHE 124 Ca 0.07 1.52 0.04 0.00 0.12 0.00 0.00 56.93 58.68 4pnp s PHE 124 Cb 0.10 -2.88 -0.04 0.00 -0.57 0.00 0.00 43.02 39.64 4pnp s PHE 124 CO 0.45 -0.48 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.78 4pnp s GLU 125 N -3.74 1.01 0.23 0.44 0.41 -1.26 -5.02 118.70 110.77 4pnp s GLU 125 Ca 0.61 -1.38 -0.31 0.00 -0.41 0.00 0.00 54.97 53.49 4pnp s GLU 125 Cb -0.11 -0.61 -0.10 0.00 -1.78 0.00 0.00 34.13 31.53 4pnp s GLU 125 CO 0.26 0.08 1.50 0.08 -0.49 0.00 0.00 175.26 176.69 4pnp s VAL 126 N -3.11 2.56 0.00 2.63 1.01 -1.26 -1.65 120.40 120.57 4pnp s VAL 126 Ca 0.14 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.56 4pnp s VAL 126 Cb 0.01 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.11 4pnp s VAL 126 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.77 4pnp n GLY 127 N 2.70 0.27 3.78 4.51 0.00 -0.20 -5.04 105.19 111.21 4pnp n GLY 127 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 4pnp n GLY 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4pnp s ASP 128 N -2.14 5.74 -0.20 1.61 1.01 -0.66 -4.83 116.67 117.21 4pnp s ASP 128 Ca 0.00 2.15 -0.02 0.00 0.71 0.00 0.00 52.55 55.39 4pnp s ASP 128 Cb 0.00 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 4pnp s ASP 128 CO 0.00 -1.21 -0.10 -0.63 0.21 0.00 0.00 175.17 173.44 4pnp s ILE 129 N -1.81 2.96 -0.28 0.77 1.01 -1.26 -1.06 121.20 121.53 4pnp s ILE 129 Ca 0.72 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 60.68 4pnp s ILE 129 Cb -0.23 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 39.95 4pnp s ILE 129 CO 0.27 0.47 0.03 -0.32 0.00 0.00 0.00 174.94 175.39 4pnp s MET 130 N 1.26 3.00 0.05 2.79 1.75 0.20 -0.94 119.30 127.42 4pnp s MET 130 Ca 0.03 -0.90 -0.31 0.00 -1.25 0.00 0.00 55.69 53.27 4pnp s MET 130 Cb -0.14 -3.22 -0.07 0.00 2.84 0.00 0.00 34.83 34.24 4pnp s MET 130 CO -0.05 -0.42 1.41 -1.17 -0.65 0.00 0.00 175.02 174.14 4pnp s LEU 131 N 1.43 4.34 -0.43 4.11 2.96 0.04 -0.48 118.68 130.65 4pnp s LEU 131 Ca 0.02 2.23 -0.29 0.00 -0.22 0.00 0.00 54.13 55.86 4pnp s LEU 131 Cb -0.17 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 42.97 4pnp s LEU 131 CO -0.00 -0.70 1.19 -0.63 -1.32 0.00 0.00 176.35 174.89 4pnp s ILE 132 N 1.85 4.19 -0.07 6.68 1.01 -0.27 -1.91 121.20 132.67 4pnp s ILE 132 Ca 0.65 1.25 0.14 0.00 0.00 0.00 0.00 60.65 62.68 4pnp s ILE 132 Cb -0.34 -4.48 -0.22 0.00 0.01 0.00 0.00 42.46 37.43 4pnp s ILE 132 CO 0.29 -0.86 0.64 -1.14 0.00 0.00 0.00 174.94 173.87 4pnp n ARG 133 N 7.72 0.63 -3.75 2.79 0.63 0.12 -4.64 116.66 120.17 4pnp n ARG 133 Ca 0.13 0.26 -0.06 0.00 -0.92 0.00 0.00 57.85 57.25 4pnp n ARG 133 Cb 0.48 -1.77 -0.02 0.00 0.45 0.00 0.00 32.46 31.60 4pnp n ARG 133 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 4pnp s ASP 134 N -5.97 -0.27 0.15 6.15 2.15 -1.17 -4.59 116.67 113.11 4pnp s ASP 134 Ca -0.05 -0.43 -0.00 0.00 0.43 0.00 0.00 52.55 52.49 4pnp s ASP 134 Cb 0.08 0.61 -0.04 0.00 -0.30 0.00 0.00 42.92 43.27 4pnp s ASP 134 CO 0.82 -1.11 0.06 -1.38 -0.17 0.00 0.00 175.17 173.39 4pnp s HIS 135 N -3.64 0.98 -0.16 -5.34 -3.43 -1.26 -1.03 115.29 101.42 4pnp s HIS 135 Ca 0.10 -1.21 -0.01 0.00 -0.80 0.00 0.00 55.06 53.14 4pnp s HIS 135 Cb -0.04 -0.54 0.04 0.00 -1.43 0.00 0.00 32.58 30.61 4pnp s HIS 135 CO 0.02 -0.47 -0.05 0.42 -2.00 0.00 0.00 174.74 172.65 4pnp s ILE 136 N -3.98 1.08 -0.88 -5.38 1.01 -0.37 -4.90 121.20 107.77 4pnp s ILE 136 Ca 0.26 -0.58 -0.14 0.00 0.00 0.00 0.00 60.65 60.19 4pnp s ILE 136 Cb 0.07 -1.24 0.21 0.00 0.01 0.00 0.00 42.46 41.51 4pnp s ILE 136 CO 0.04 0.15 0.88 0.21 0.00 0.00 0.00 174.94 176.22 4pnp s ASN 137 N 1.65 6.80 0.12 3.58 2.47 -1.26 -1.56 114.94 126.74 4pnp s ASN 137 Ca 0.01 -2.66 -0.18 0.00 0.42 0.00 0.00 52.86 50.45 4pnp s ASN 137 Cb -0.15 -2.25 -0.04 0.00 -1.45 0.00 0.00 41.25 37.36 4pnp s ASN 137 CO -0.08 -0.64 1.73 -0.07 -3.72 0.00 0.00 177.10 174.32 4pnp h LEU 138 N 8.21 0.34 -1.72 3.21 3.38 -1.94 -2.16 115.31 124.63 4pnp h LEU 138 Ca 0.13 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.06 4pnp h LEU 138 Cb 1.02 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 4pnp h LEU 138 CO 0.85 0.32 0.26 -0.65 0.09 0.00 0.00 178.44 179.31 4pnp h PRO 139 N 0.34 0.35 -0.21 1.13 0.11 -1.87 -0.75 132.00 131.11 4pnp h PRO 139 Ca 0.10 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 4pnp h PRO 139 Cb 0.05 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 4pnp h PRO 139 CO -0.02 0.23 0.02 0.78 -0.21 0.00 0.00 178.00 178.81 4pnp h GLY 140 N 0.36 0.32 1.39 -0.55 0.00 -1.42 -1.78 103.07 101.39 4pnp h GLY 140 Ca 0.16 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.37 4pnp h GLY 140 CO -0.04 0.15 0.35 0.74 0.00 0.00 0.00 176.54 177.74 4pnp h PHE 141 N 0.29 0.58 -0.01 5.60 0.04 -0.85 -1.57 116.94 121.03 4pnp h PHE 141 Ca 0.07 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.86 4pnp h PHE 141 Cb 0.16 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.12 4pnp h PHE 141 CO 0.00 0.34 -0.20 -1.13 -0.60 0.00 0.00 178.31 176.73 4pnp n SER 142 N -4.47 0.83 0.00 2.17 3.41 -0.72 -4.93 113.62 109.91 4pnp n SER 142 Ca 0.06 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 4pnp n SER 142 Cb 0.13 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 4pnp n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 4pnp n GLY 143 N 1.31 0.31 3.55 5.00 0.00 -0.59 -5.02 105.19 109.76 4pnp n GLY 143 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 4pnp n GLY 143 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4pnp s GLU 144 N -0.82 2.77 -0.04 1.61 0.41 -0.87 -4.85 118.70 116.91 4pnp s GLU 144 Ca 0.00 0.05 -0.03 0.00 -0.41 0.00 0.00 54.97 54.58 4pnp s GLU 144 Cb 0.00 -4.66 0.02 0.00 -1.78 0.00 0.00 34.13 27.70 4pnp s GLU 144 CO 0.00 -2.81 0.10 1.21 -0.49 0.00 0.00 175.26 173.28 4pnp s ASN 145 N 7.20 -0.09 0.61 -0.19 3.84 -1.26 -3.44 114.94 121.60 4pnp s ASN 145 Ca 0.62 0.21 0.41 0.00 0.21 0.00 0.00 52.86 54.30 4pnp s ASN 145 Cb -0.09 0.18 2.17 0.00 -0.55 0.00 0.00 41.25 42.96 4pnp s ASN 145 CO 0.10 -0.06 2.25 1.55 -2.79 0.00 0.00 177.10 178.15 4pnp h PRO 146 N 6.31 0.00 -0.01 0.43 0.13 -1.90 -0.81 132.00 136.15 4pnp h PRO 146 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 4pnp h PRO 146 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 4pnp h PRO 146 CO 0.44 0.00 -0.16 1.28 -0.23 0.00 0.00 178.00 179.34 4pnp n LEU 147 N -2.97 1.46 -4.75 1.56 4.77 -1.26 -4.61 117.00 111.19 4pnp n LEU 147 Ca -0.02 -0.46 -0.41 0.00 -0.03 0.00 0.00 56.01 55.09 4pnp n LEU 147 Cb 0.09 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 4pnp n LEU 147 CO 0.20 0.26 1.21 -0.60 -1.33 0.00 0.00 177.39 177.12 4pnp s ARG 148 N -2.26 4.15 0.00 3.23 3.52 -0.31 -4.76 118.95 122.51 4pnp s ARG 148 Ca 0.29 2.53 0.00 0.00 -0.13 0.00 0.00 55.73 58.42 4pnp s ARG 148 Cb 0.20 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.56 4pnp s ARG 148 CO 0.43 -0.58 0.00 0.41 -0.81 0.00 0.00 175.30 174.75 4pnp n GLY 149 N 1.93 -1.03 3.71 8.12 0.00 -1.26 -4.07 105.19 112.59 4pnp n GLY 149 Ca 0.07 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 4pnp n GLY 149 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 4pnp n PRO 150 N -0.23 2.31 -2.93 1.61 -0.02 -1.26 -4.95 135.00 129.52 4pnp n PRO 150 Ca 0.00 0.82 -0.40 0.00 -2.02 0.00 0.00 63.50 61.89 4pnp n PRO 150 Cb 0.00 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 30.94 4pnp n PRO 150 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 4pnp s ASN 151 N 0.13 7.21 -0.56 2.55 2.47 -1.26 -5.02 114.94 120.45 4pnp s ASN 151 Ca 0.62 1.45 -0.20 0.00 0.42 0.00 0.00 52.86 55.15 4pnp s ASN 151 Cb -0.57 -2.48 0.07 0.00 -1.45 0.00 0.00 41.25 36.83 4pnp s ASN 151 CO 0.54 -0.07 0.73 -0.70 -3.72 0.00 0.00 177.10 173.89 4pnp s GLU 152 N 0.32 3.11 0.12 0.43 2.56 -1.26 -4.90 118.70 119.07 4pnp s GLU 152 Ca 0.41 -0.98 0.17 0.00 0.00 0.00 0.00 54.97 54.57 4pnp s GLU 152 Cb -0.20 -4.17 0.72 0.00 2.00 0.00 0.00 34.13 32.48 4pnp s GLU 152 CO 0.23 -1.44 1.52 0.39 -0.56 0.00 0.00 175.26 175.40 4pnp n GLU 153 N 6.56 0.08 0.00 4.30 -0.58 -1.25 -1.56 120.64 128.19 4pnp n GLU 153 Ca -0.06 0.37 0.14 0.00 -0.42 0.00 0.00 57.16 57.19 4pnp n GLU 153 Cb 0.44 -1.67 0.66 0.00 -0.57 0.00 0.00 31.44 30.31 4pnp n GLU 153 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 4pnp n ARG 154 N -1.82 0.27 -0.08 3.49 3.00 -1.26 -3.55 116.66 116.71 4pnp n ARG 154 Ca 0.02 -0.03 -0.15 0.00 -0.01 0.00 0.00 57.85 57.68 4pnp n ARG 154 Cb 0.16 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.06 4pnp n ARG 154 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 4pnp n PHE 155 N -1.34 0.00 -3.81 -1.55 3.72 -0.60 -5.12 117.46 108.76 4pnp n PHE 155 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 4pnp n PHE 155 Cb 0.29 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.26 4pnp n PHE 155 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 4pnp n GLY 156 N 2.21 0.69 3.89 1.37 0.00 -0.86 -3.89 105.19 108.60 4pnp n GLY 156 Ca -0.30 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 4pnp n GLY 156 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 4pnp s VAL 157 N -2.19 3.50 0.15 1.61 -7.23 -1.26 -3.80 120.40 111.17 4pnp s VAL 157 Ca 0.03 0.38 -0.13 0.00 -1.81 0.00 0.00 61.98 60.44 4pnp s VAL 157 Cb -0.00 -3.47 0.03 0.00 0.56 0.00 0.00 36.38 33.50 4pnp s VAL 157 CO 0.00 -0.59 1.67 -0.09 -0.31 0.00 0.00 175.10 175.78 4pnp h ARG 158 N -0.56 0.79 -2.86 4.82 9.65 -1.95 -3.36 114.38 120.91 4pnp h ARG 158 Ca -0.45 -0.18 -0.61 0.00 -1.10 0.00 0.00 59.98 57.63 4pnp h ARG 158 Cb 1.25 -0.11 -0.42 0.00 -1.39 0.00 0.00 29.97 29.31 4pnp h ARG 158 CO 0.63 0.75 -0.59 1.19 2.80 0.00 0.00 179.97 184.76 4pnp n PHE 159 N -4.47 3.26 -2.33 2.20 3.72 -1.26 -5.05 117.46 113.53 4pnp n PHE 159 Ca 0.01 -4.26 -0.39 0.00 -0.05 0.00 0.00 57.45 52.77 4pnp n PHE 159 Cb 0.21 -0.59 -0.03 0.00 -0.94 0.00 0.00 39.48 38.13 4pnp n PHE 159 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 4pnp s PRO 160 N -1.68 4.19 0.34 -1.08 0.04 -1.26 -5.02 135.00 130.53 4pnp s PRO 160 Ca 0.29 1.84 -0.24 0.00 0.04 0.00 0.00 61.00 62.92 4pnp s PRO 160 Cb 0.01 -2.79 -0.10 0.00 0.04 0.00 0.00 34.50 31.66 4pnp s PRO 160 CO -0.13 -0.20 0.93 0.00 0.04 0.00 0.00 177.00 177.63 4pnp s ALA 161 N -1.37 3.18 0.00 8.56 0.00 -1.26 -4.97 121.76 125.90 4pnp s ALA 161 Ca 0.54 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.97 4pnp s ALA 161 Cb -0.31 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.66 4pnp s ALA 161 CO 0.39 0.18 0.00 -0.12 0.00 0.00 0.00 175.76 176.21 4pnp n MET 162 N 0.28 5.76 0.24 0.00 1.56 -1.26 -4.74 117.12 118.97 4pnp n MET 162 Ca 0.03 0.00 0.17 0.00 -0.27 0.00 0.00 57.70 57.63 4pnp n MET 162 Cb 0.51 -0.46 0.88 0.00 2.15 0.00 0.00 33.22 36.31 4pnp n MET 162 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 4pnp h SER 163 N 0.00 0.00 -0.31 6.12 4.64 -2.01 -0.94 113.55 121.04 4pnp h SER 163 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 4pnp h SER 163 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 4pnp h SER 163 CO 0.00 0.00 -0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 4pnp n ASP 164 N -3.67 3.32 -0.20 4.97 5.75 -1.26 -4.80 116.55 120.66 4pnp n ASP 164 Ca 0.00 -3.32 -0.01 0.00 -0.01 0.00 0.00 54.79 51.46 4pnp n ASP 164 Cb 0.26 -0.59 0.07 0.00 -1.03 0.00 0.00 41.12 39.83 4pnp n ASP 164 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 4pnp h ALA 165 N 1.43 0.45 -2.28 2.12 0.00 -1.47 -3.37 119.26 116.13 4pnp h ALA 165 Ca 0.10 0.22 -0.67 0.00 0.00 0.00 0.00 54.91 54.57 4pnp h ALA 165 Cb 1.56 0.42 -0.16 0.00 0.00 0.00 0.00 17.79 19.61 4pnp h ALA 165 CO 0.31 -0.42 -0.00 0.71 0.00 0.00 0.00 179.25 179.84 4pnp s TYR 166 N -6.21 3.11 -0.36 0.00 1.51 -1.26 -4.28 117.35 109.86 4pnp s TYR 166 Ca -0.14 -0.12 -0.42 0.00 -1.01 0.00 0.00 57.07 55.38 4pnp s TYR 166 Cb 0.19 -3.15 -0.17 0.00 -0.11 0.00 0.00 41.96 38.72 4pnp s TYR 166 CO 0.73 -0.77 1.75 -3.47 -1.11 0.00 0.00 175.55 172.68 4pnp n ASP 167 N 5.98 1.96 -0.17 2.29 2.03 -0.16 -4.89 116.55 123.59 4pnp n ASP 167 Ca -0.04 1.06 -0.08 0.00 0.52 0.00 0.00 54.79 56.25 4pnp n ASP 167 Cb 0.48 -1.06 0.01 0.00 -0.72 0.00 0.00 41.12 39.83 4pnp n ASP 167 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 4pnp h ARG 168 N 6.94 0.70 -0.52 -0.67 2.43 -1.91 -2.52 114.38 118.83 4pnp h ARG 168 Ca -0.43 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 4pnp h ARG 168 Cb 1.34 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 4pnp h ARG 168 CO 0.98 0.56 0.33 -0.44 -1.51 0.00 0.00 179.97 179.88 4pnp h ASP 169 N 0.66 0.60 -0.46 -3.80 3.32 -2.00 -2.47 116.42 112.27 4pnp h ASP 169 Ca 0.17 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 4pnp h ASP 169 Cb 0.07 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 4pnp h ASP 169 CO -0.03 0.45 0.10 0.24 -1.72 0.00 0.00 179.24 178.29 4pnp h MET 170 N 0.70 0.81 -0.28 3.56 2.86 -1.91 -1.02 114.93 119.66 4pnp h MET 170 Ca 0.19 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 4pnp h MET 170 Cb -0.06 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 4pnp h MET 170 CO -0.04 0.75 -0.22 0.07 1.06 0.00 0.00 176.91 178.54 4pnp h ARG 171 N 0.78 0.51 -0.10 1.72 0.11 -1.19 0.32 114.38 116.52 4pnp h ARG 171 Ca 0.17 -0.18 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 4pnp h ARG 171 Cb 0.32 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.36 4pnp h ARG 171 CO 0.00 0.70 -0.01 1.96 0.10 0.00 0.00 179.97 182.72 4pnp h GLN 172 N 0.46 0.19 -0.64 0.08 4.20 -0.96 -1.84 115.11 116.60 4pnp h GLN 172 Ca 0.07 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 4pnp h GLN 172 Cb 0.63 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 4pnp h GLN 172 CO 0.04 0.48 0.32 0.87 -0.67 0.00 0.00 178.83 179.87 4pnp h LYS 173 N -0.11 0.90 -0.40 1.46 1.57 -0.94 -1.43 116.57 117.62 4pnp h LYS 173 Ca 0.03 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 4pnp h LYS 173 Cb 0.40 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 4pnp h LYS 173 CO 0.01 0.69 0.24 0.00 -0.57 0.00 0.00 179.45 179.82 4pnp h ALA 174 N 1.45 0.51 -0.63 3.86 0.00 -0.17 0.12 119.26 124.41 4pnp h ALA 174 Ca 0.22 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 4pnp h ALA 174 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 4pnp h ALA 174 CO -0.03 -0.09 0.14 0.45 0.00 0.00 0.00 179.25 179.72 4pnp h HIS 175 N 0.49 1.07 -0.30 0.00 3.86 -0.69 -1.06 115.15 118.52 4pnp h HIS 175 Ca 0.16 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 4pnp h HIS 175 Cb -0.00 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 4pnp h HIS 175 CO -0.07 0.90 0.15 0.77 0.86 0.00 0.00 177.93 180.54 4pnp h SER 176 N 0.93 0.38 -0.84 2.45 0.02 -0.80 -2.00 113.55 113.70 4pnp h SER 176 Ca 0.20 -0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 4pnp h SER 176 Cb 0.38 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.77 4pnp h SER 176 CO 0.00 0.39 0.55 0.74 -1.14 0.00 0.00 176.83 177.37 4pnp h THR 177 N 0.35 1.17 -0.74 -2.27 2.02 -0.55 -1.43 112.91 111.46 4pnp h THR 177 Ca 0.10 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.94 4pnp h THR 177 Cb 0.10 -0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.45 4pnp h THR 177 CO -0.01 0.20 0.47 -0.25 0.37 0.00 0.00 175.52 176.29 4pnp h TRP 178 N 1.09 0.87 -0.67 3.16 2.91 -0.84 -1.42 115.95 121.04 4pnp h TRP 178 Ca 0.32 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.30 4pnp h TRP 178 Cb -0.06 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 28.28 4pnp h TRP 178 CO -0.02 0.50 0.16 0.87 -1.03 0.00 0.00 178.44 178.92 4pnp h LYS 179 N 0.91 1.07 -0.03 2.65 1.57 -0.59 -1.93 116.57 120.23 4pnp h LYS 179 Ca 0.29 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 4pnp h LYS 179 Cb 0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 4pnp h LYS 179 CO -0.11 0.94 -0.14 1.96 -0.57 0.00 0.00 179.45 181.53 4pnp h GLN 180 N 1.02 0.04 0.00 3.15 4.20 -0.53 -1.35 115.11 121.64 4pnp h GLN 180 Ca 0.21 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.92 4pnp h GLN 180 Cb 0.36 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.13 4pnp h GLN 180 CO 0.00 0.19 0.00 -1.33 -0.67 0.00 0.00 178.83 177.02 4pnp n MET 181 N -4.35 0.17 -3.16 1.46 2.81 -0.61 -4.88 117.12 108.55 4pnp n MET 181 Ca -0.02 0.40 -0.21 0.00 -1.81 0.00 0.00 57.70 56.06 4pnp n MET 181 Cb 0.22 -1.82 0.05 0.00 -0.71 0.00 0.00 33.22 30.96 4pnp n MET 181 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 4pnp n GLY 182 N -0.01 -0.42 3.75 3.03 0.00 -0.51 -4.96 105.19 106.07 4pnp n GLY 182 Ca 0.02 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 4pnp n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4pnp s GLU 183 N -5.83 4.69 -0.01 1.61 0.41 -1.25 -4.98 118.70 113.34 4pnp s GLU 183 Ca 0.38 1.72 -0.23 0.00 -0.41 0.00 0.00 54.97 56.43 4pnp s GLU 183 Cb -0.17 -3.22 -0.14 0.00 -1.78 0.00 0.00 34.13 28.83 4pnp s GLU 183 CO 0.47 0.27 1.01 1.96 -0.49 0.00 0.00 175.26 178.48 4pnp h GLN 184 N 4.01 -0.61 -6.66 1.61 4.20 -1.96 -3.44 115.11 112.27 4pnp h GLN 184 Ca -0.46 0.04 -0.52 0.00 0.06 0.00 0.00 58.65 57.77 4pnp h GLN 184 Cb 1.21 0.14 0.02 0.00 0.30 0.00 0.00 27.48 29.15 4pnp h GLN 184 CO 0.68 -0.32 0.58 0.50 -0.67 0.00 0.00 178.83 179.60 4pnp s ARG 185 N -4.23 4.47 0.53 1.46 6.06 -1.26 -4.99 118.95 120.98 4pnp s ARG 185 Ca -0.13 1.91 -0.22 0.00 -2.50 0.00 0.00 55.73 54.80 4pnp s ARG 185 Cb 0.01 -3.23 -0.05 0.00 0.06 0.00 0.00 34.95 31.74 4pnp s ARG 185 CO 0.42 -0.13 1.26 -1.21 -2.50 0.00 0.00 175.30 173.13 4pnp s GLU 186 N -0.15 3.32 -0.20 5.12 0.41 -1.26 -4.94 118.70 121.00 4pnp s GLU 186 Ca 0.54 1.99 -0.29 0.00 -0.41 0.00 0.00 54.97 56.79 4pnp s GLU 186 Cb -0.33 -2.24 -0.02 0.00 -1.78 0.00 0.00 34.13 29.76 4pnp s GLU 186 CO 0.37 -0.97 1.47 -1.17 -0.49 0.00 0.00 175.26 174.46 4pnp s LEU 187 N -3.47 4.03 0.91 1.80 2.96 -1.26 -4.80 118.68 118.85 4pnp s LEU 187 Ca 0.70 1.64 -0.12 0.00 -0.22 0.00 0.00 54.13 56.13 4pnp s LEU 187 Cb -0.34 -3.54 0.14 0.00 0.50 0.00 0.00 46.19 42.95 4pnp s LEU 187 CO 0.40 -1.05 1.14 -1.10 -1.32 0.00 0.00 176.35 174.42 4pnp s GLN 188 N 4.18 1.16 -0.05 1.98 -1.52 -0.12 -4.91 119.66 120.37 4pnp s GLN 188 Ca 0.64 0.30 -0.27 0.00 -1.95 0.00 0.00 55.36 54.08 4pnp s GLN 188 Cb -0.24 -1.84 0.06 0.00 -0.22 0.00 0.00 33.01 30.78 4pnp s GLN 188 CO 0.24 -2.19 0.61 -2.00 -0.25 0.00 0.00 175.29 171.70 4pnp s GLU 189 N -5.27 0.97 0.00 2.91 2.12 -1.26 -0.78 118.70 117.38 4pnp s GLU 189 Ca 0.64 0.21 0.00 0.00 0.36 0.00 0.00 54.97 56.18 4pnp s GLU 189 Cb -0.15 0.45 0.00 0.00 0.26 0.00 0.00 34.13 34.70 4pnp s GLU 189 CO 0.53 -0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.38 4pnp n GLY 190 N 1.09 -0.84 3.77 -1.50 0.00 -0.80 -4.88 105.19 102.02 4pnp n GLY 190 Ca -0.19 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 4pnp n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4pnp s THR 191 N -3.00 5.38 -0.22 2.61 2.01 -1.26 -0.70 115.64 120.47 4pnp s THR 191 Ca 0.00 0.32 -0.08 0.00 0.31 0.00 0.00 61.69 62.24 4pnp s THR 191 Cb 0.00 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 4pnp s THR 191 CO 0.00 0.47 0.08 -0.47 -0.69 0.00 0.00 174.62 174.01 4pnp s TYR 192 N 0.01 3.18 -0.15 4.92 6.14 -0.20 -0.32 117.35 130.93 4pnp s TYR 192 Ca 0.13 -0.10 -0.06 0.00 0.64 0.00 0.00 57.07 57.68 4pnp s TYR 192 Cb -0.12 -2.17 -0.04 0.00 0.42 0.00 0.00 41.96 40.06 4pnp s TYR 192 CO 0.02 -0.06 0.04 0.54 0.64 0.00 0.00 175.55 176.72 4pnp s VAL 193 N 0.96 4.58 -0.10 3.14 0.11 0.06 -1.24 120.40 127.92 4pnp s VAL 193 Ca 0.04 -0.12 -0.02 0.00 -2.93 0.00 0.00 61.98 58.95 4pnp s VAL 193 Cb -0.14 -3.02 -0.03 0.00 -1.53 0.00 0.00 36.38 31.66 4pnp s VAL 193 CO 0.03 0.51 0.00 -0.32 -3.33 0.00 0.00 175.10 171.99 4pnp s MET 194 N -0.00 3.12 0.22 1.54 1.75 -0.60 -1.89 119.30 123.43 4pnp s MET 194 Ca 0.05 -0.41 0.03 0.00 -1.25 0.00 0.00 55.69 54.10 4pnp s MET 194 Cb -0.12 -2.83 -0.05 0.00 2.84 0.00 0.00 34.83 34.66 4pnp s MET 194 CO 0.01 0.63 0.01 -0.48 -0.65 0.00 0.00 175.02 174.54 4pnp s LEU 195 N -0.68 2.11 0.06 4.11 0.05 -0.59 -3.01 118.68 120.74 4pnp s LEU 195 Ca 0.11 -1.23 -0.20 0.00 0.05 0.00 0.00 54.13 52.86 4pnp s LEU 195 Cb -0.12 -0.19 -0.11 0.00 -2.05 0.00 0.00 46.19 43.72 4pnp s LEU 195 CO 0.02 -0.55 1.48 1.23 -0.55 0.00 0.00 176.35 177.98 4pnp h GLY 196 N 2.50 0.36 0.00 -3.48 0.00 -1.91 -3.37 103.07 97.17 4pnp h GLY 196 Ca -0.38 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.68 4pnp h GLY 196 CO 0.64 0.25 0.00 0.61 0.00 0.00 0.00 176.54 178.04 4pnp n GLY 197 N -0.25 -1.74 0.07 4.60 0.00 -1.26 -4.00 105.19 102.61 4pnp n GLY 197 Ca -0.05 -1.36 0.14 0.00 0.00 0.00 0.00 46.02 44.76 4pnp n GLY 197 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 4pnp n PRO 198 N -0.01 0.47 -1.81 1.61 -0.04 -1.26 -4.84 135.00 129.13 4pnp n PRO 198 Ca 0.00 -0.14 -0.32 0.00 -0.04 0.00 0.00 63.50 62.99 4pnp n PRO 198 Cb 0.00 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.00 4pnp n PRO 198 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 4pnp s ASN 199 N -2.63 5.39 0.47 3.54 4.22 -1.26 -5.03 114.94 119.64 4pnp s ASN 199 Ca 0.24 1.85 -0.10 0.00 -2.14 0.00 0.00 52.86 52.71 4pnp s ASN 199 Cb 0.20 -2.53 -0.06 0.00 1.28 0.00 0.00 41.25 40.14 4pnp s ASN 199 CO 0.51 -1.44 0.84 -0.36 -2.04 0.00 0.00 177.10 174.61 4pnp s PHE 200 N -2.54 3.51 0.62 1.54 0.08 -1.26 -5.04 117.98 114.89 4pnp s PHE 200 Ca 0.64 1.08 -0.17 0.00 0.12 0.00 0.00 56.93 58.59 4pnp s PHE 200 Cb -0.17 -2.49 -0.02 0.00 -0.57 0.00 0.00 43.02 39.77 4pnp s PHE 200 CO 0.43 -0.26 1.17 -1.21 -0.10 0.00 0.00 175.22 175.25 4pnp s GLU 201 N -4.27 2.85 0.70 0.44 8.01 -1.26 -5.05 118.70 120.12 4pnp s GLU 201 Ca 0.52 1.68 -0.07 0.00 0.01 0.00 0.00 54.97 57.11 4pnp s GLU 201 Cb -0.10 -1.93 0.06 0.00 -4.31 0.00 0.00 34.13 27.85 4pnp s GLU 201 CO 0.38 -1.27 1.01 0.95 0.01 0.00 0.00 175.26 176.34 4pnp s THR 202 N -1.86 2.30 0.14 3.63 -4.23 -1.26 -4.90 115.64 109.46 4pnp s THR 202 Ca 0.74 -0.26 -0.14 0.00 -1.18 0.00 0.00 61.69 60.84 4pnp s THR 202 Cb -0.27 -3.01 0.02 0.00 1.34 0.00 0.00 72.50 70.58 4pnp s THR 202 CO 0.36 -0.01 1.68 0.58 -0.54 0.00 0.00 174.62 176.69 4pnp h VAL 203 N -0.60 1.22 -0.67 2.29 2.07 -1.95 -1.14 116.25 117.48 4pnp h VAL 203 Ca -0.44 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.37 4pnp h VAL 203 Cb 1.32 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 4pnp h VAL 203 CO 0.60 0.26 0.42 0.00 0.02 0.00 0.00 177.57 178.88 4pnp h ALA 204 N 1.01 0.85 -0.58 1.67 0.00 -1.92 -1.19 119.26 119.10 4pnp h ALA 204 Ca 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 4pnp h ALA 204 Cb 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 4pnp h ALA 204 CO -0.01 0.29 0.20 0.93 0.00 0.00 0.00 179.25 180.67 4pnp h GLU 205 N 0.90 0.89 -0.19 0.00 5.08 -1.90 -2.04 114.58 117.33 4pnp h GLU 205 Ca 0.24 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 4pnp h GLU 205 Cb -0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 4pnp h GLU 205 CO -0.05 0.79 0.12 0.00 -1.00 0.00 0.00 179.01 178.87 4pnp h ARG 207 N 0.25 0.79 -0.07 0.00 3.08 -1.11 -0.91 114.38 116.40 4pnp h ARG 207 Ca 0.07 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 4pnp h ARG 207 Cb -0.03 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 4pnp h ARG 207 CO -0.01 0.52 0.05 1.25 -1.07 0.00 0.00 179.97 180.70 4pnp h LEU 208 N 0.82 0.09 -0.85 3.04 6.46 -0.94 -1.20 115.31 122.73 4pnp h LEU 208 Ca 0.34 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 58.06 4pnp h LEU 208 Cb 0.19 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 4pnp h LEU 208 CO -0.18 0.09 0.52 -0.07 -0.62 0.00 0.00 178.44 178.18 4pnp h LEU 209 N 0.07 1.01 -0.37 2.25 3.38 -0.29 -0.64 115.31 120.72 4pnp h LEU 209 Ca 0.03 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 4pnp h LEU 209 Cb 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 4pnp h LEU 209 CO -0.01 0.78 0.00 -0.09 0.09 0.00 0.00 178.44 179.21 4pnp h ARG 210 N 1.16 0.66 0.00 1.13 9.65 -1.07 -2.63 114.38 123.28 4pnp h ARG 210 Ca 0.31 -0.21 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 4pnp h ARG 210 Cb -0.06 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.46 4pnp h ARG 210 CO -0.06 0.76 -0.05 -0.91 2.80 0.00 0.00 179.97 182.51 4pnp h ASN 211 N 0.48 0.00 0.55 -3.80 2.35 -0.66 0.15 115.58 114.65 4pnp h ASN 211 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 4pnp h ASN 211 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 4pnp h ASN 211 CO 0.02 0.05 0.00 0.18 -1.65 0.00 0.00 177.43 176.03 4pnp n LEU 212 N -3.68 0.00 0.00 1.61 4.77 -0.30 -4.88 117.00 114.52 4pnp n LEU 212 Ca -0.02 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 4pnp n LEU 212 Cb 0.15 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 4pnp n LEU 212 CO 0.28 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 4pnp n GLY 213 N 0.86 0.89 3.81 -0.72 0.00 0.50 -5.08 105.19 105.45 4pnp n GLY 213 Ca 0.10 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 4pnp n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4pnp s ALA 214 N -2.00 3.53 -0.20 4.61 0.00 -1.02 -4.68 121.76 121.99 4pnp s ALA 214 Ca 0.00 0.08 0.17 0.00 0.00 0.00 0.00 51.96 52.20 4pnp s ALA 214 Cb 0.00 -2.70 -0.24 0.00 0.00 0.00 0.00 23.12 20.18 4pnp s ALA 214 CO 0.00 0.38 0.05 -0.25 0.00 0.00 0.00 175.76 175.94 4pnp n ASP 215 N 1.26 0.27 -3.88 0.00 8.00 0.56 -4.37 116.55 118.39 4pnp n ASP 215 Ca -0.07 -0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.32 4pnp n ASP 215 Cb 0.51 0.91 -0.09 0.00 -0.02 0.00 0.00 41.12 42.42 4pnp n ASP 215 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 4pnp s ALA 216 N -2.48 -0.26 -0.02 2.24 0.00 -0.85 -0.55 121.76 119.85 4pnp s ALA 216 Ca -0.11 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.62 4pnp s ALA 216 Cb 0.06 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 4pnp s ALA 216 CO 0.79 -0.26 -0.16 0.54 0.00 0.00 0.00 175.76 176.66 4pnp s VAL 217 N -1.93 1.29 0.29 0.00 0.11 -0.38 -0.76 120.40 119.03 4pnp s VAL 217 Ca -0.10 -0.68 -0.08 0.00 -2.93 0.00 0.00 61.98 58.19 4pnp s VAL 217 Cb -0.05 -1.08 0.03 0.00 -1.53 0.00 0.00 36.38 33.75 4pnp s VAL 217 CO -0.01 0.37 0.52 0.61 -3.33 0.00 0.00 175.10 173.26 4pnp n GLY 218 N 2.78 1.64 0.79 6.54 0.00 -0.79 -1.40 105.19 114.76 4pnp n GLY 218 Ca -0.15 -1.34 0.02 0.00 0.00 0.00 0.00 46.02 44.55 4pnp n GLY 218 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 4pnp n MET 219 N -0.43 1.78 0.00 1.61 2.81 -1.26 -1.54 117.12 120.10 4pnp n MET 219 Ca -0.04 -3.36 0.00 0.00 -1.81 0.00 0.00 57.70 52.49 4pnp n MET 219 Cb 0.46 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 4pnp n MET 219 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 4pnp n SER 220 N -1.09 0.00 0.00 7.83 3.41 -1.26 -4.57 113.62 117.94 4pnp n SER 220 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 4pnp n SER 220 Cb 0.76 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 4pnp n SER 220 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 4pnp n THR 221 N 0.00 0.00 -0.28 6.66 -1.04 -1.26 -4.56 114.28 113.80 4pnp n THR 221 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 4pnp n THR 221 Cb 0.00 0.00 0.18 0.00 -1.82 0.00 0.00 70.33 68.69 4pnp n THR 221 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 4pnp h VAL 222 N 0.00 0.25 -0.51 12.58 2.07 -1.96 -0.80 116.25 127.87 4pnp h VAL 222 Ca 0.00 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 4pnp h VAL 222 Cb 0.00 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 4pnp h VAL 222 CO 0.00 0.01 0.25 1.55 0.02 0.00 0.00 177.57 179.41 4pnp h PRO 223 N 0.07 0.71 -0.47 1.57 0.13 -1.99 -1.19 132.00 130.83 4pnp h PRO 223 Ca 0.45 -0.08 -0.11 0.00 -0.87 0.00 0.00 66.00 65.39 4pnp h PRO 223 Cb 0.81 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 4pnp h PRO 223 CO -0.75 0.55 -0.15 0.93 -0.23 0.00 0.00 178.00 178.35 4pnp h GLU 224 N 0.71 0.92 -0.55 0.86 5.08 -1.56 -1.87 114.58 118.18 4pnp h GLU 224 Ca 0.18 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 4pnp h GLU 224 Cb 0.06 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 4pnp h GLU 224 CO -0.03 1.03 0.21 0.28 -1.00 0.00 0.00 179.01 179.50 4pnp h VAL 225 N 0.77 1.22 -0.48 3.13 2.07 -0.73 0.97 116.25 123.19 4pnp h VAL 225 Ca 0.11 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 4pnp h VAL 225 Cb 0.71 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 4pnp h VAL 225 CO 0.05 0.27 0.26 0.40 0.02 0.00 0.00 177.57 178.57 4pnp h ILE 226 N 0.75 1.17 -0.47 4.57 2.04 -1.10 -0.04 117.51 124.43 4pnp h ILE 226 Ca 0.18 -0.45 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 4pnp h ILE 226 Cb 0.22 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 4pnp h ILE 226 CO -0.01 0.18 -0.17 0.58 0.00 0.00 0.00 178.15 178.73 4pnp h VAL 227 N 0.63 1.27 0.10 1.67 2.07 -1.10 -1.12 116.25 119.77 4pnp h VAL 227 Ca 0.17 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 4pnp h VAL 227 Cb 0.06 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 4pnp h VAL 227 CO -0.03 0.45 -0.05 0.00 0.02 0.00 0.00 177.57 177.96 4pnp h ALA 228 N 1.01 -0.14 -0.57 1.67 0.00 -0.47 -2.20 119.26 118.56 4pnp h ALA 228 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 4pnp h ALA 228 Cb 0.71 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 4pnp h ALA 228 CO 0.05 -0.55 0.27 0.00 0.00 0.00 0.00 179.25 179.02 4pnp h ARG 229 N -0.20 0.80 -0.83 0.00 2.47 -0.92 -0.54 114.38 115.15 4pnp h ARG 229 Ca -0.01 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.59 4pnp h ARG 229 Cb 0.16 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.29 4pnp h ARG 229 CO 0.02 0.62 0.44 1.25 0.56 0.00 0.00 179.97 182.87 4pnp h HIS 230 N 0.80 1.16 -0.49 3.04 2.76 -0.93 -2.28 115.15 119.20 4pnp h HIS 230 Ca 0.20 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 4pnp h HIS 230 Cb 0.09 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 28.68 4pnp h HIS 230 CO 0.01 0.81 0.00 0.00 -1.30 0.00 0.00 177.93 177.45 4pnp n GLY 232 N 1.11 0.61 3.76 0.00 0.00 -0.85 -4.93 105.19 104.89 4pnp n GLY 232 Ca 0.18 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 4pnp n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4pnp s LEU 233 N 0.00 4.51 0.11 0.99 1.43 -0.27 -4.99 118.68 120.47 4pnp s LEU 233 Ca 0.00 1.99 -0.30 0.00 -1.03 0.00 0.00 54.13 54.79 4pnp s LEU 233 Cb 0.00 -3.76 -0.06 0.00 0.03 0.00 0.00 46.19 42.40 4pnp s LEU 233 CO 0.00 -0.01 1.08 -0.60 0.23 0.00 0.00 176.35 177.06 4pnp s ARG 234 N -1.56 4.57 0.02 1.70 3.52 -0.21 -4.34 118.95 122.65 4pnp s ARG 234 Ca 0.45 1.64 0.05 0.00 -0.13 0.00 0.00 55.73 57.74 4pnp s ARG 234 Cb -0.25 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.79 4pnp s ARG 234 CO 0.31 0.01 -0.15 0.08 -0.81 0.00 0.00 175.30 174.74 4pnp s VAL 235 N 0.28 1.16 0.00 7.11 1.01 -1.26 -0.23 120.40 128.47 4pnp s VAL 235 Ca 0.51 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 4pnp s VAL 235 Cb -0.27 -1.01 0.07 0.00 0.00 0.00 0.00 36.38 35.17 4pnp s VAL 235 CO 0.32 0.15 0.67 0.72 0.00 0.00 0.00 175.10 176.96 4pnp s PHE 236 N -0.63 -0.61 0.06 5.22 -0.71 -0.89 -0.99 117.98 119.44 4pnp s PHE 236 Ca 0.04 0.89 -0.14 0.00 -1.04 0.00 0.00 56.93 56.68 4pnp s PHE 236 Cb -0.07 0.45 0.05 0.00 -1.21 0.00 0.00 43.02 42.24 4pnp s PHE 236 CO 0.01 -0.66 0.64 0.41 -1.34 0.00 0.00 175.22 174.28 4pnp n GLY 237 N 0.55 0.72 3.36 1.99 0.00 -1.26 -1.61 105.19 108.93 4pnp n GLY 237 Ca -0.18 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 4pnp n GLY 237 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 4pnp s PHE 238 N -3.30 -0.34 -0.09 1.61 -0.12 -0.64 -1.12 117.98 113.98 4pnp s PHE 238 Ca 0.15 0.10 -0.00 0.00 -0.05 0.00 0.00 56.93 57.13 4pnp s PHE 238 Cb -0.01 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 4pnp s PHE 238 CO 0.02 -0.74 -0.07 -1.12 -0.05 0.00 0.00 175.22 173.26 4pnp s SER 239 N -2.68 4.63 -0.35 1.98 0.01 0.37 -2.35 113.70 115.32 4pnp s SER 239 Ca 0.01 -0.07 -0.18 0.00 1.31 0.00 0.00 55.95 57.02 4pnp s SER 239 Cb 0.01 -1.35 -0.00 0.00 0.21 0.00 0.00 66.02 64.89 4pnp s SER 239 CO -0.11 0.30 0.51 -0.22 0.41 0.00 0.00 173.24 174.14 4pnp s LEU 240 N -0.45 4.34 -0.60 2.44 2.96 0.23 -0.63 118.68 126.96 4pnp s LEU 240 Ca 0.07 -0.01 -0.27 0.00 -0.22 0.00 0.00 54.13 53.70 4pnp s LEU 240 Cb -0.12 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 4pnp s LEU 240 CO 0.02 -0.47 1.67 -0.63 -1.32 0.00 0.00 176.35 175.62 4pnp s ILE 241 N 2.39 3.51 -0.95 6.68 -1.09 -0.22 -0.41 121.20 131.10 4pnp s ILE 241 Ca 0.19 0.36 0.25 0.00 -2.23 0.00 0.00 60.65 59.21 4pnp s ILE 241 Cb -0.15 -4.18 -0.00 0.00 -1.58 0.00 0.00 42.46 36.55 4pnp s ILE 241 CO 0.13 -1.07 1.38 0.35 -1.23 0.00 0.00 174.94 174.49 4pnp n THR 242 N 7.02 0.04 -3.55 2.92 -2.24 -0.41 -1.04 114.28 117.03 4pnp n THR 242 Ca 0.16 -0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 61.81 4pnp n THR 242 Cb 0.50 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 4pnp n THR 242 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 4pnp s ASN 243 N -3.14 -0.37 -0.27 3.42 2.20 -1.25 -4.60 114.94 110.93 4pnp s ASN 243 Ca 0.10 0.26 -0.14 0.00 -0.94 0.00 0.00 52.86 52.14 4pnp s ASN 243 Cb 0.17 0.34 -0.04 0.00 -2.00 0.00 0.00 41.25 39.72 4pnp s ASN 243 CO 0.71 -0.45 0.35 -0.75 -2.94 0.00 0.00 177.10 174.02 4pnp s LYS 244 N -1.87 4.01 0.25 3.55 2.47 -1.26 -0.34 119.74 126.55 4pnp s LYS 244 Ca 0.01 -0.00 -0.30 0.00 -1.56 0.00 0.00 55.97 54.12 4pnp s LYS 244 Cb -0.01 -3.65 -0.09 0.00 -1.46 0.00 0.00 37.83 32.62 4pnp s LYS 244 CO -0.02 -0.25 1.24 0.08 0.16 0.00 0.00 175.35 176.55 4pnp s VAL 245 N 1.99 3.21 -0.20 4.02 1.01 -1.08 -4.90 120.40 124.46 4pnp s VAL 245 Ca 0.14 1.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.94 4pnp s VAL 245 Cb -0.16 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 4pnp s VAL 245 CO 0.10 0.22 2.12 -0.63 0.00 0.00 0.00 175.10 176.91 4pnp s ILE 246 N -0.57 3.09 -2.20 2.22 -1.09 -1.26 -4.83 121.20 116.55 4pnp s ILE 246 Ca 0.51 0.09 0.23 0.00 -2.23 0.00 0.00 60.65 59.25 4pnp s ILE 246 Cb -0.36 -3.11 0.05 0.00 -1.58 0.00 0.00 42.46 37.47 4pnp s ILE 246 CO 0.43 -0.06 1.16 0.80 -1.23 0.00 0.00 174.94 176.03 4pnp n MET 247 N 8.53 1.40 -4.28 2.79 1.56 -1.26 -4.40 117.12 121.46 4pnp n MET 247 Ca 0.27 -1.14 -0.20 0.00 -0.27 0.00 0.00 57.70 56.37 4pnp n MET 247 Cb 0.45 -1.48 -0.16 0.00 2.15 0.00 0.00 33.22 34.18 4pnp n MET 247 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 4pnp s ASP 248 N -2.39 1.04 -0.05 6.12 1.01 -1.26 -4.85 116.67 116.29 4pnp s ASP 248 Ca 0.21 -0.16 -0.35 0.00 0.71 0.00 0.00 52.55 52.96 4pnp s ASP 248 Cb 0.19 -0.37 -0.13 0.00 1.01 0.00 0.00 42.92 43.62 4pnp s ASP 248 CO 0.52 0.01 1.77 0.41 0.21 0.00 0.00 175.17 178.09 4pnp n THR 249 N 3.58 0.39 -1.46 -1.27 -1.04 -1.26 -2.22 114.28 110.99 4pnp n THR 249 Ca -0.21 -0.07 -0.13 0.00 -2.04 0.00 0.00 64.05 61.60 4pnp n THR 249 Cb 0.53 -1.65 -0.05 0.00 -1.82 0.00 0.00 70.33 67.34 4pnp n THR 249 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 4pnp n GLU 250 N 5.54 -0.90 -2.16 -2.82 4.71 -1.26 -4.93 120.64 118.81 4pnp n GLU 250 Ca 0.22 0.92 -0.40 0.00 -0.01 0.00 0.00 57.16 57.89 4pnp n GLU 250 Cb 0.26 -4.98 -0.02 0.00 -1.01 0.00 0.00 31.44 25.70 4pnp n GLU 250 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 4pnp n SER 251 N -0.11 4.10 -1.47 1.62 7.64 -0.94 -4.73 113.62 119.73 4pnp n SER 251 Ca -0.13 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 56.91 4pnp n SER 251 Cb 0.44 -1.67 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 4pnp n SER 251 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 4pnp n GLN 252 N 7.77 0.00 0.00 1.43 1.13 -1.26 -4.83 117.38 121.62 4pnp n GLN 252 Ca 0.49 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 4pnp n GLN 252 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.79 4pnp n GLN 252 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 4pnp n GLY 253 N -0.27 1.53 3.64 1.08 0.00 -1.26 -5.16 105.19 104.74 4pnp n GLY 253 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 4pnp n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4pnp s LYS 254 N -2.00 0.60 0.72 1.61 0.00 -1.26 -4.98 119.74 114.43 4pnp s LYS 254 Ca 0.00 0.77 -0.14 0.00 0.00 0.00 0.00 55.97 56.60 4pnp s LYS 254 Cb 0.00 0.26 0.03 0.00 0.00 0.00 0.00 37.83 38.13 4pnp s LYS 254 CO 0.00 -0.08 1.15 0.00 0.00 0.00 0.00 175.35 176.42 4pnp s ALA 255 N 0.50 2.23 -0.14 0.59 0.00 -1.26 -5.07 121.76 118.62 4pnp s ALA 255 Ca -0.00 0.66 -0.22 0.00 0.00 0.00 0.00 51.96 52.40 4pnp s ALA 255 Cb -0.05 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.74 4pnp s ALA 255 CO -0.06 -1.68 0.55 0.54 0.00 0.00 0.00 175.76 175.12 4pnp s ASN 256 N -2.44 -0.54 0.59 0.00 2.20 -1.26 -5.01 114.94 108.47 4pnp s ASN 256 Ca 0.69 0.86 0.32 0.00 -0.94 0.00 0.00 52.86 53.79 4pnp s ASN 256 Cb -0.24 0.86 1.85 0.00 -2.00 0.00 0.00 41.25 41.72 4pnp s ASN 256 CO 0.46 -0.35 2.24 -0.74 -2.94 0.00 0.00 177.10 175.77 4pnp h HIS 257 N 4.44 0.00 0.11 1.54 -0.00 -1.99 -2.73 115.15 116.51 4pnp h HIS 257 Ca -0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.08 4pnp h HIS 257 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.57 4pnp h HIS 257 CO 0.41 0.02 -0.05 0.93 -0.00 0.00 0.00 177.93 179.25 4pnp h GLU 258 N 0.00 -0.14 -0.33 5.26 3.07 -1.99 -0.74 114.58 119.72 4pnp h GLU 258 Ca -0.00 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 4pnp h GLU 258 Cb 0.08 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 4pnp h GLU 258 CO 0.00 0.14 0.08 1.05 -1.40 0.00 0.00 179.01 178.89 4pnp h GLU 259 N -0.41 0.47 0.44 2.33 4.11 -1.89 0.16 114.58 119.79 4pnp h GLU 259 Ca -0.01 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 4pnp h GLU 259 Cb 0.34 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.51 4pnp h GLU 259 CO 0.02 0.43 -0.21 0.28 0.07 0.00 0.00 179.01 179.61 4pnp h VAL 260 N 0.46 0.57 -0.50 -1.06 2.07 -1.25 0.08 116.25 116.63 4pnp h VAL 260 Ca 0.11 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 4pnp h VAL 260 Cb 0.17 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 4pnp h VAL 260 CO -0.00 0.01 0.15 -0.07 0.02 0.00 0.00 177.57 177.68 4pnp h LEU 261 N -0.61 0.74 -1.24 2.57 3.38 -0.64 -2.18 115.31 117.33 4pnp h LEU 261 Ca -0.06 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.71 4pnp h LEU 261 Cb 0.46 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 4pnp h LEU 261 CO 0.10 0.75 0.52 -0.33 0.09 0.00 0.00 178.44 179.57 4pnp h GLU 262 N 0.69 1.02 -0.41 1.13 5.08 -0.60 -1.97 114.58 119.51 4pnp h GLU 262 Ca 0.16 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 4pnp h GLU 262 Cb 0.28 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 4pnp h GLU 262 CO -0.00 0.67 -0.22 0.00 -1.00 0.00 0.00 179.01 178.46 4pnp h ALA 263 N 1.52 0.84 -0.05 3.43 0.00 -0.59 -2.72 119.26 121.70 4pnp h ALA 263 Ca 0.29 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.84 4pnp h ALA 263 Cb -0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 4pnp h ALA 263 CO -0.07 0.64 0.09 0.78 0.00 0.00 0.00 179.25 180.70 4pnp h GLY 264 N 0.95 0.00 0.98 0.00 0.00 -0.73 -2.31 103.07 101.96 4pnp h GLY 264 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.16 4pnp h GLY 264 CO 0.06 0.00 -1.15 0.50 0.00 0.00 0.00 176.54 175.95 4pnp h LYS 265 N 0.00 0.43 -0.50 4.80 6.56 -1.41 -1.55 116.57 124.90 4pnp h LYS 265 Ca 0.02 -0.73 -0.08 0.00 -1.06 0.00 0.00 60.65 58.80 4pnp h LYS 265 Cb 0.21 0.27 -0.02 0.00 -0.57 0.00 0.00 32.23 32.12 4pnp h LYS 265 CO -0.00 1.35 -0.01 0.37 -2.06 0.00 0.00 179.45 179.10 4pnp h GLN 266 N -0.10 0.88 -0.36 3.15 4.15 -1.47 -2.74 115.11 118.62 4pnp h GLN 266 Ca -0.20 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 58.94 4pnp h GLN 266 Cb 1.91 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.52 4pnp h GLN 266 CO 0.22 0.92 0.00 0.00 -1.93 0.00 0.00 178.83 178.04 4pnp n ALA 267 N -2.44 2.45 0.35 3.38 0.00 -0.97 -4.40 120.51 118.88 4pnp n ALA 267 Ca 0.01 -0.72 -0.14 0.00 0.00 0.00 0.00 53.44 52.59 4pnp n ALA 267 Cb 0.32 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 4pnp n ALA 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4pnp h ALA 268 N 3.93 -1.15 -0.93 0.00 0.00 -0.95 -2.10 119.26 118.06 4pnp h ALA 268 Ca 0.00 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.90 4pnp h ALA 268 Cb 0.59 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 4pnp h ALA 268 CO 0.00 -1.08 0.51 1.96 0.00 0.00 0.00 179.25 180.63 4pnp h GLN 269 N -0.96 0.60 0.00 0.00 4.20 -1.77 0.91 115.11 118.09 4pnp h GLN 269 Ca -0.09 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 4pnp h GLN 269 Cb 0.69 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 4pnp h GLN 269 CO 0.15 0.39 -0.00 0.87 -0.67 0.00 0.00 178.83 179.57 4pnp h LYS 270 N 0.61 -0.01 0.00 1.46 1.79 -1.77 -1.11 116.57 117.54 4pnp h LYS 270 Ca 0.55 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 59.01 4pnp h LYS 270 Cb 0.91 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.56 4pnp h LYS 270 CO -0.42 -0.00 -0.03 1.37 -1.08 0.00 0.00 179.45 179.29 4pnp h LEU 271 N -0.01 0.00 -0.18 2.94 8.10 -1.15 -2.15 115.31 122.86 4pnp h LEU 271 Ca -0.00 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.94 4pnp h LEU 271 Cb 0.01 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.22 4pnp h LEU 271 CO -0.00 0.03 -0.07 -0.33 -4.11 0.00 0.00 178.44 173.95 4pnp h GLU 272 N 0.00 0.36 -0.30 0.17 3.07 -0.60 0.04 114.58 117.32 4pnp h GLU 272 Ca -0.00 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 58.68 4pnp h GLU 272 Cb 0.39 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 4pnp h GLU 272 CO 0.00 0.66 0.08 1.96 -1.40 0.00 0.00 179.01 180.31 4pnp h GLN 273 N 0.06 0.48 -0.25 2.33 4.20 -0.94 -2.14 115.11 118.85 4pnp h GLN 273 Ca 0.04 -0.11 0.05 0.00 0.06 0.00 0.00 58.65 58.69 4pnp h GLN 273 Cb 0.54 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.20 4pnp h GLN 273 CO 0.02 0.55 -0.10 0.35 -0.67 0.00 0.00 178.83 178.98 4pnp h PHE 274 N 0.33 -0.24 -0.63 2.96 3.57 -1.30 -1.08 116.94 120.55 4pnp h PHE 274 Ca 0.10 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 4pnp h PHE 274 Cb 0.28 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 4pnp h PHE 274 CO 0.01 -0.16 0.19 0.28 -2.23 0.00 0.00 178.31 176.40 4pnp h VAL 275 N -0.06 1.25 -0.54 1.41 2.07 -0.89 -1.09 116.25 118.39 4pnp h VAL 275 Ca 0.13 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.80 4pnp h VAL 275 Cb 0.26 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 4pnp h VAL 275 CO -0.29 0.33 0.34 -1.28 0.02 0.00 0.00 177.57 176.70 4pnp h SER 276 N 0.92 0.58 -0.54 0.57 0.87 -1.01 -2.37 113.55 112.57 4pnp h SER 276 Ca 0.20 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.67 4pnp h SER 276 Cb 0.31 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 4pnp h SER 276 CO -0.00 0.41 -0.00 -0.07 -0.53 0.00 0.00 176.83 176.63 4pnp h LEU 277 N 0.69 0.96 -2.59 2.23 3.38 -0.92 -2.58 115.31 116.48 4pnp h LEU 277 Ca 0.21 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 4pnp h LEU 277 Cb -0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 4pnp h LEU 277 CO -0.07 1.02 -0.01 -0.07 0.09 0.00 0.00 178.44 179.40 4pnp h LEU 278 N 0.91 0.00 -0.93 1.67 3.38 -0.69 -2.18 115.31 117.47 4pnp h LEU 278 Ca 0.16 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.23 4pnp h LEU 278 Cb 0.53 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 4pnp h LEU 278 CO 0.03 0.01 0.57 0.24 0.09 0.00 0.00 178.44 179.38 4pnp h MET 279 N 0.00 0.93 -0.18 1.13 2.86 -1.13 -0.18 114.93 118.36 4pnp h MET 279 Ca -0.00 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 4pnp h MET 279 Cb 0.04 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 4pnp h MET 279 CO 0.00 0.62 -0.08 0.00 1.06 0.00 0.00 176.91 178.51 4pnp h ALA 280 N 1.48 1.53 0.00 6.32 0.00 -1.55 -2.82 119.26 124.21 4pnp h ALA 280 Ca 0.43 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 4pnp h ALA 280 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 4pnp h ALA 280 CO -0.23 0.34 -0.52 0.77 0.00 0.00 0.00 179.25 179.62 4pnp h SER 281 N 0.27 0.00 -2.55 0.00 0.02 -1.16 -3.45 113.55 106.69 4pnp h SER 281 Ca 0.06 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.48 4pnp h SER 281 Cb 0.32 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.88 4pnp h SER 281 CO 0.02 0.46 1.11 -0.63 -1.14 0.00 0.00 176.83 176.65 4pnp s ILE 282 N -2.98 3.03 1.14 3.27 1.01 -0.76 -4.96 121.20 120.95 4pnp s ILE 282 Ca 0.04 0.30 -0.16 0.00 0.00 0.00 0.00 60.65 60.83 4pnp s ILE 282 Cb 0.07 -3.19 0.26 0.00 0.01 0.00 0.00 42.46 39.61 4pnp s ILE 282 CO 0.74 -0.01 1.07 -2.16 0.00 0.00 0.00 174.94 174.58 4pnp s PRO 283 N 3.47 -0.71 0.00 2.79 0.04 -1.26 -5.01 135.00 134.32 4pnp s PRO 283 Ca 0.80 0.33 0.00 0.00 0.04 0.00 0.00 61.00 62.17 4pnp s PRO 283 Cb -0.41 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.51 4pnp s PRO 283 CO 0.35 -3.45 0.00 0.28 0.04 0.00 0.00 177.00 174.22