#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1piv n GLY 8 N 0.00 -0.01 3.78 0.00 0.00 -1.26 -5.18 105.19 102.52 1piv n GLY 8 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1piv n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1piv s TYR 9 N 0.00 2.74 -0.04 1.61 2.02 -1.22 -5.07 117.35 117.38 1piv s TYR 9 Ca 0.00 1.53 -0.17 0.00 -0.37 0.00 0.00 57.07 58.06 1piv s TYR 9 Cb 0.00 -3.09 0.03 0.00 -0.40 0.00 0.00 41.96 38.50 1piv s TYR 9 CO 0.00 -1.53 0.37 0.45 -1.57 0.00 0.00 175.55 173.27 1piv s SER 10 N -2.84 -0.29 0.57 2.29 0.15 -1.26 -5.02 113.70 107.29 1piv s SER 10 Ca 0.65 0.28 0.28 0.00 0.70 0.00 0.00 55.95 57.86 1piv s SER 10 Cb -0.18 0.42 1.69 0.00 -1.71 0.00 0.00 66.02 66.23 1piv s SER 10 CO 0.43 -0.43 2.20 0.44 1.20 0.00 0.00 173.24 177.09 1piv h ASP 11 N 3.98 0.00 1.08 5.45 3.32 -1.98 -2.73 116.42 125.54 1piv h ASP 11 Ca -0.29 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.60 1piv h ASP 11 Cb 1.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1piv h ASP 11 CO 0.38 0.04 -0.97 0.03 -1.72 0.00 0.00 179.24 176.99 1piv h ARG 12 N 0.00 0.00 -4.73 3.56 3.08 -1.90 -2.68 114.38 111.71 1piv h ARG 12 Ca -0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 1piv h ARG 12 Cb 0.09 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 29.87 1piv h ARG 12 CO 0.00 0.52 -0.62 0.08 -1.07 0.00 0.00 179.97 178.89 1piv s VAL 13 N -2.88 3.83 0.05 2.04 1.01 -1.03 -0.45 120.40 122.96 1piv s VAL 13 Ca 0.01 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.09 1piv s VAL 13 Cb 0.08 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1piv s VAL 13 CO 0.79 -0.07 -0.19 -0.76 0.00 0.00 0.00 175.10 174.87 1piv s LEU 14 N 1.44 2.18 -0.12 3.92 1.43 0.13 -4.67 118.68 122.99 1piv s LEU 14 Ca 0.00 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1piv s LEU 14 Cb -0.19 -0.85 0.01 0.00 0.03 0.00 0.00 46.19 45.19 1piv s LEU 14 CO 0.02 0.11 -0.23 -1.58 0.23 0.00 0.00 176.35 174.91 1piv s GLN 15 N -1.20 3.02 -0.16 1.70 0.74 -1.26 -1.06 119.66 121.44 1piv s GLN 15 Ca 0.05 -0.86 -0.02 0.00 0.05 0.00 0.00 55.36 54.59 1piv s GLN 15 Cb -0.09 -2.37 -0.01 0.00 1.10 0.00 0.00 33.01 31.64 1piv s GLN 15 CO 0.02 0.06 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.22 1piv s LEU 16 N 0.63 2.84 -0.12 3.68 1.43 -0.38 -4.98 118.68 121.77 1piv s LEU 16 Ca -0.12 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1piv s LEU 16 Cb -0.16 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.41 1piv s LEU 16 CO 0.02 0.11 -0.10 -0.89 0.23 0.00 0.00 176.35 175.73 1piv s THR 17 N 0.68 1.16 -0.05 5.49 2.01 -1.26 -0.85 115.64 122.82 1piv s THR 17 Ca -0.05 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.57 1piv s THR 17 Cb -0.15 -1.14 0.02 0.00 0.01 0.00 0.00 72.50 71.24 1piv s THR 17 CO 0.02 0.39 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.56 1piv s LEU 18 N 1.55 1.04 0.00 4.42 1.43 -0.46 -5.02 118.68 121.63 1piv s LEU 18 Ca 0.03 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1piv s LEU 18 Cb -0.13 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.66 1piv s LEU 18 CO -0.08 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.00 1piv n GLY 19 N 4.48 3.66 1.48 -3.19 0.00 -1.24 -1.67 105.19 108.71 1piv n GLY 19 Ca -0.18 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 45.84 1piv n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1piv n ASN 20 N 5.27 4.38 -4.16 1.61 6.94 -1.26 -4.92 115.26 123.12 1piv n ASN 20 Ca 0.00 -2.56 -0.30 0.00 -0.02 0.00 0.00 54.58 51.70 1piv n ASN 20 Cb 0.00 -0.59 -0.17 0.00 -2.36 0.00 0.00 39.78 36.66 1piv n ASN 20 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1piv s SER 21 N -0.71 2.77 -0.09 0.53 1.04 -0.67 -5.09 113.70 111.48 1piv s SER 21 Ca 0.42 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 56.40 1piv s SER 21 Cb 0.30 -1.27 -0.00 0.00 0.10 0.00 0.00 66.02 65.15 1piv s SER 21 CO 0.16 0.11 -0.24 -0.89 0.98 0.00 0.00 173.24 173.36 1piv s THR 22 N 0.51 2.06 -0.14 2.02 2.01 -1.26 -1.36 115.64 119.48 1piv s THR 22 Ca -0.16 -1.03 -0.04 0.00 0.31 0.00 0.00 61.69 60.78 1piv s THR 22 Cb -0.17 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 1piv s THR 22 CO 0.06 0.56 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.91 1piv s ILE 23 N 0.24 4.12 0.13 1.82 1.01 -0.03 -4.98 121.20 123.52 1piv s ILE 23 Ca -0.16 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.29 1piv s ILE 23 Cb -0.17 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1piv s ILE 23 CO 0.08 0.51 -0.13 0.42 0.00 0.00 0.00 174.94 175.82 1piv s THR 24 N 0.07 3.11 -0.14 2.92 -4.23 -1.26 -1.25 115.64 114.86 1piv s THR 24 Ca 0.01 -1.48 -0.06 0.00 -1.18 0.00 0.00 61.69 58.98 1piv s THR 24 Cb -0.13 -2.47 0.06 0.00 1.34 0.00 0.00 72.50 71.30 1piv s THR 24 CO 0.02 0.04 0.31 0.28 -0.54 0.00 0.00 174.62 174.73 1piv s THR 25 N -1.33 -0.29 -1.36 3.99 -1.32 -0.22 -4.99 115.64 110.12 1piv s THR 25 Ca 0.21 0.19 0.26 0.00 -1.21 0.00 0.00 61.69 61.14 1piv s THR 25 Cb -0.10 -0.49 0.14 0.00 -1.51 0.00 0.00 72.50 70.54 1piv s THR 25 CO 0.13 0.08 1.51 0.00 -2.21 0.00 0.00 174.62 174.13 1piv n GLN 26 N 4.87 0.40 -3.19 7.08 6.02 -1.26 -0.69 117.38 130.60 1piv n GLN 26 Ca -0.15 -0.23 -0.22 0.00 -0.01 0.00 0.00 57.00 56.39 1piv n GLN 26 Cb 0.51 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.22 1piv n GLN 26 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1piv n GLU 27 N -1.10 1.19 -3.41 -1.09 1.02 -1.05 -4.39 120.64 111.80 1piv n GLU 27 Ca 0.09 -3.56 -0.22 0.00 -0.02 0.00 0.00 57.16 53.45 1piv n GLU 27 Cb 0.34 -1.58 -0.01 0.00 -0.02 0.00 0.00 31.44 30.18 1piv n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1piv s ALA 28 N -1.93 3.88 -0.71 0.62 0.00 0.40 0.02 121.76 124.03 1piv s ALA 28 Ca 0.38 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1piv s ALA 28 Cb 0.24 -1.94 0.32 0.00 0.00 0.00 0.00 23.12 21.73 1piv s ALA 28 CO -0.09 -0.07 1.14 0.00 0.00 0.00 0.00 175.76 176.74 1piv n ALA 29 N -1.76 4.93 -0.93 0.00 0.00 -1.26 -3.99 120.51 117.50 1piv n ALA 29 Ca -0.03 -4.70 0.00 0.00 0.00 0.00 0.00 53.44 48.71 1piv n ALA 29 Cb 0.57 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1piv n ALA 29 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1piv n ASN 30 N 0.03 -3.16 -3.79 0.00 2.85 -1.01 -4.91 115.26 105.28 1piv n ASN 30 Ca 0.34 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.68 1piv n ASN 30 Cb 0.36 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.29 1piv n ASN 30 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1piv s SER 31 N -4.00 -0.15 -0.18 1.20 1.04 -1.26 -4.68 113.70 105.67 1piv s SER 31 Ca 0.00 0.05 -0.09 0.00 0.48 0.00 0.00 55.95 56.39 1piv s SER 31 Cb 0.00 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.38 1piv s SER 31 CO 0.00 -0.41 0.11 -0.69 0.98 0.00 0.00 173.24 173.24 1piv s VAL 32 N -1.25 5.26 -0.37 5.02 1.01 -0.10 -5.01 120.40 124.96 1piv s VAL 32 Ca -0.13 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1piv s VAL 32 Cb -0.06 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 32.99 1piv s VAL 32 CO 0.03 0.48 0.18 -0.69 0.00 0.00 0.00 175.10 175.10 1piv s VAL 33 N 0.12 4.22 -0.08 2.92 1.01 -1.26 -0.21 120.40 127.13 1piv s VAL 33 Ca 0.08 -1.06 -0.36 0.00 0.00 0.00 0.00 61.98 60.64 1piv s VAL 33 Cb -0.11 -3.41 -0.13 0.00 0.00 0.00 0.00 36.38 32.72 1piv s VAL 33 CO -0.01 -0.27 1.77 0.00 0.00 0.00 0.00 175.10 176.60 1piv n ALA 34 N 4.91 0.59 -1.73 5.51 0.00 -0.26 -1.10 120.51 128.44 1piv n ALA 34 Ca -0.12 0.35 -0.21 0.00 0.00 0.00 0.00 53.44 53.46 1piv n ALA 34 Cb 0.45 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 17.44 1piv n ALA 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1piv n TYR 35 N 5.60 -0.18 -1.28 0.00 4.01 -1.26 -1.88 117.16 122.17 1piv n TYR 35 Ca 0.22 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.87 1piv n TYR 35 Cb 0.25 -3.53 -0.04 0.00 -0.31 0.00 0.00 39.34 35.70 1piv n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1piv n GLY 36 N -0.48 1.04 3.24 2.72 0.00 -0.26 -4.99 105.19 106.46 1piv n GLY 36 Ca -0.21 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1piv n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1piv s ARG 37 N -2.63 2.88 0.39 1.61 1.81 -0.78 -5.08 118.95 117.14 1piv s ARG 37 Ca 0.00 -0.96 -0.25 0.00 -1.72 0.00 0.00 55.73 52.80 1piv s ARG 37 Cb 0.00 -3.10 -0.09 0.00 -0.45 0.00 0.00 34.95 31.31 1piv s ARG 37 CO 0.00 -0.43 1.13 -0.46 -0.68 0.00 0.00 175.30 174.87 1piv s TRP 38 N 1.37 3.15 0.20 -0.53 -0.11 -1.26 -4.09 118.94 117.67 1piv s TRP 38 Ca 0.00 1.59 -0.32 0.00 1.22 0.00 0.00 56.10 58.59 1piv s TRP 38 Cb -0.17 -3.32 -0.15 0.00 -1.50 0.00 0.00 33.47 28.33 1piv s TRP 38 CO -0.02 -1.09 1.18 -2.30 -4.62 0.00 0.00 176.95 170.10 1piv n PRO 39 N 0.12 1.35 -4.08 5.86 -0.02 -1.26 -4.86 135.00 132.10 1piv n PRO 39 Ca 0.04 0.48 -0.09 0.00 -2.02 0.00 0.00 63.50 61.91 1piv n PRO 39 Cb 0.47 -1.99 -0.09 0.00 -0.02 0.00 0.00 33.50 31.87 1piv n PRO 39 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1piv s GLU 40 N -0.56 0.92 0.45 -0.52 -1.05 -1.26 -4.89 118.70 111.80 1piv s GLU 40 Ca 0.70 -1.32 -0.15 0.00 -0.15 0.00 0.00 54.97 54.05 1piv s GLU 40 Cb -0.79 0.27 -0.08 0.00 -0.44 0.00 0.00 34.13 33.09 1piv s GLU 40 CO 0.53 -0.27 0.89 -0.06 0.95 0.00 0.00 175.26 177.29 1piv s PHE 41 N -4.00 3.43 -0.16 4.83 0.08 -1.26 -4.94 117.98 115.95 1piv s PHE 41 Ca 0.19 1.33 -0.30 0.00 0.12 0.00 0.00 56.93 58.27 1piv s PHE 41 Cb 0.06 -2.66 -0.07 0.00 -0.57 0.00 0.00 43.02 39.78 1piv s PHE 41 CO -0.01 -0.20 2.14 -0.89 -0.10 0.00 0.00 175.22 176.16 1piv n ILE 42 N -1.23 0.44 -1.84 0.64 5.41 -1.26 -4.97 119.36 116.55 1piv n ILE 42 Ca 0.05 -0.34 -0.40 0.00 1.00 0.00 0.00 62.75 63.06 1piv n ILE 42 Cb 0.54 -2.36 0.01 0.00 -0.71 0.00 0.00 39.64 37.11 1piv n ILE 42 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1piv s ARG 43 N 5.75 3.85 0.47 0.38 0.52 -1.26 -4.84 118.95 123.82 1piv s ARG 43 Ca 0.99 2.42 0.29 0.00 -0.52 0.00 0.00 55.73 58.91 1piv s ARG 43 Cb -0.44 -2.77 1.37 0.00 0.52 0.00 0.00 34.95 33.64 1piv s ARG 43 CO 0.40 -0.68 1.74 -0.44 0.02 0.00 0.00 175.30 176.33 1piv h ASP 44 N 2.58 0.21 -0.09 0.23 3.32 -1.97 0.92 116.42 121.62 1piv h ASP 44 Ca -0.51 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1piv h ASP 44 Cb 1.25 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1piv h ASP 44 CO 0.62 -0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.24 1piv n ASP 45 N -4.43 1.53 0.00 6.45 5.75 -1.26 -3.56 116.55 121.02 1piv n ASP 45 Ca 0.29 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 1piv n ASP 45 Cb 1.20 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 41.23 1piv n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1piv n GLU 46 N 0.21 -0.65 -2.15 0.11 1.02 0.19 -5.08 120.64 114.30 1piv n GLU 46 Ca 0.18 -0.55 -0.39 0.00 -0.02 0.00 0.00 57.16 56.38 1piv n GLU 46 Cb 0.33 -0.98 -0.01 0.00 -0.02 0.00 0.00 31.44 30.77 1piv n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1piv s ALA 47 N -0.08 3.14 0.02 0.62 0.00 -0.46 -4.74 121.76 120.27 1piv s ALA 47 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1piv s ALA 47 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1piv s ALA 47 CO 0.00 -0.74 0.00 -1.71 0.00 0.00 0.00 175.76 173.31 1piv n ASN 48 N -0.08 0.08 -4.70 0.00 4.05 -1.26 -5.02 115.26 108.32 1piv n ASN 48 Ca 0.05 0.04 -0.42 0.00 0.45 0.00 0.00 54.58 54.69 1piv n ASN 48 Cb 0.45 -0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.43 1piv n ASN 48 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1piv s PRO 49 N -2.00 4.27 0.48 1.20 0.04 -1.26 -4.93 135.00 132.79 1piv s PRO 49 Ca 0.00 2.13 0.27 0.00 0.04 0.00 0.00 61.00 63.44 1piv s PRO 49 Cb 0.00 -3.44 0.75 0.00 0.04 0.00 0.00 34.50 31.85 1piv s PRO 49 CO 0.00 -0.58 1.76 -0.39 0.04 0.00 0.00 177.00 177.83 1piv h VAL 50 N 4.59 0.07 -3.88 -0.36 -1.51 -2.05 -3.46 116.25 109.65 1piv h VAL 50 Ca -0.41 -0.88 -0.51 0.00 -1.23 0.00 0.00 66.70 63.67 1piv h VAL 50 Cb 1.20 1.82 0.05 0.00 -2.13 0.00 0.00 31.29 32.23 1piv h VAL 50 CO 0.90 0.03 0.55 1.51 -1.23 0.00 0.00 177.57 179.34 1piv s ASP 51 N -6.02 6.83 -0.15 4.19 -4.77 -1.26 -4.94 116.67 110.54 1piv s ASP 51 Ca 0.04 2.47 -0.36 0.00 -3.30 0.00 0.00 52.55 51.41 1piv s ASP 51 Cb 0.07 -2.63 -0.13 0.00 -1.09 0.00 0.00 42.92 39.14 1piv s ASP 51 CO 0.62 -0.47 1.87 1.67 0.70 0.00 0.00 175.17 179.56 1piv n GLN 52 N 0.68 1.90 -1.19 2.11 -0.06 -1.26 -4.93 117.38 114.63 1piv n GLN 52 Ca 0.01 0.69 -0.31 0.00 -2.00 0.00 0.00 57.00 55.40 1piv n GLN 52 Cb 0.44 -2.52 0.11 0.00 -4.06 0.00 0.00 30.24 24.21 1piv n GLN 52 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1piv s PRO 53 N 4.08 1.82 -0.21 3.69 0.04 -1.26 -4.93 135.00 138.23 1piv s PRO 53 Ca 0.95 1.09 -0.09 0.00 0.04 0.00 0.00 61.00 62.99 1piv s PRO 53 Cb -0.78 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 1piv s PRO 53 CO 0.55 -1.93 0.11 0.99 0.04 0.00 0.00 177.00 176.77 1piv s THR 54 N -2.89 5.09 -0.42 1.26 2.01 -0.09 -4.92 115.64 115.68 1piv s THR 54 Ca 0.62 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.74 1piv s THR 54 Cb -0.18 -3.34 0.12 0.00 0.01 0.00 0.00 72.50 69.11 1piv s THR 54 CO 0.57 0.40 0.16 -1.61 -0.69 0.00 0.00 174.62 173.45 1piv s GLU 55 N 0.76 1.61 0.57 4.92 2.02 -1.26 -1.48 118.70 125.83 1piv s GLU 55 Ca 0.06 -2.14 0.37 0.00 0.02 0.00 0.00 54.97 53.28 1piv s GLU 55 Cb -0.13 -3.06 1.81 0.00 0.10 0.00 0.00 34.13 32.86 1piv s GLU 55 CO 0.02 -1.04 2.12 -1.00 0.02 0.00 0.00 175.26 175.38 1piv h PRO 56 N 7.08 0.00 0.00 0.39 0.13 -1.98 -3.48 132.00 134.15 1piv h PRO 56 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1piv h PRO 56 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1piv h PRO 56 CO 0.58 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.88 1piv n ASP 57 N -2.96 0.00 -0.36 1.44 2.03 -1.26 -3.16 116.55 112.27 1piv n ASP 57 Ca -0.01 0.00 0.37 0.00 0.52 0.00 0.00 54.79 55.67 1piv n ASP 57 Cb 0.17 0.00 0.76 0.00 -0.72 0.00 0.00 41.12 41.33 1piv n ASP 57 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1piv h VAL 58 N 0.00 0.37 0.00 5.18 -1.51 -1.93 0.33 116.25 118.69 1piv h VAL 58 Ca 0.00 -0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 1piv h VAL 58 Cb 0.00 0.36 -0.00 0.00 -2.13 0.00 0.00 31.29 29.52 1piv h VAL 58 CO 0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 177.57 176.22 1piv h ALA 59 N 1.37 1.02 0.00 5.19 0.00 -1.97 -3.37 119.26 121.50 1piv h ALA 59 Ca 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1piv h ALA 59 Cb 2.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.17 1piv h ALA 59 CO -0.01 0.15 -1.00 0.25 0.00 0.00 0.00 179.25 178.64 1piv n THR 60 N -3.26 0.00 -2.75 0.00 -2.24 -0.44 -4.42 114.28 101.18 1piv n THR 60 Ca 0.00 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.35 1piv n THR 60 Cb 0.38 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1piv n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1piv s ARG 62 N 1.52 1.42 -0.69 0.00 1.70 -1.26 -3.64 118.95 117.99 1piv s ARG 62 Ca 0.43 -0.88 -0.27 0.00 -0.47 0.00 0.00 55.73 54.54 1piv s ARG 62 Cb 0.01 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 34.93 1piv s ARG 62 CO 0.01 -0.61 1.45 -0.06 -1.08 0.00 0.00 175.30 175.01 1piv s PHE 63 N -3.88 2.11 -0.28 5.89 0.08 -1.26 -4.21 117.98 116.42 1piv s PHE 63 Ca 0.10 0.23 -0.22 0.00 0.12 0.00 0.00 56.93 57.16 1piv s PHE 63 Cb -0.01 -4.46 -0.01 0.00 -0.57 0.00 0.00 43.02 37.97 1piv s PHE 63 CO -0.02 -2.13 0.70 0.71 -0.10 0.00 0.00 175.22 174.38 1piv s TYR 64 N 6.68 3.24 -0.22 0.36 2.02 0.08 -4.88 117.35 124.63 1piv s TYR 64 Ca 0.45 0.78 -0.21 0.00 -0.37 0.00 0.00 57.07 57.72 1piv s TYR 64 Cb -0.09 -3.03 -0.02 0.00 -0.40 0.00 0.00 41.96 38.42 1piv s TYR 64 CO 0.18 -0.45 0.67 0.99 -1.57 0.00 0.00 175.55 175.36 1piv s THR 65 N 2.71 4.98 0.70 -0.71 2.01 -1.26 -0.76 115.64 123.31 1piv s THR 65 Ca 0.29 1.26 -0.11 0.00 0.31 0.00 0.00 61.69 63.44 1piv s THR 65 Cb -0.15 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.40 1piv s THR 65 CO 0.11 0.06 1.08 -0.76 -0.69 0.00 0.00 174.62 174.41 1piv s LEU 66 N 2.21 2.92 0.10 4.42 1.43 -0.51 -5.01 118.68 124.25 1piv s LEU 66 Ca 0.30 1.05 -0.34 0.00 -1.03 0.00 0.00 54.13 54.11 1piv s LEU 66 Cb -0.16 -3.84 -0.14 0.00 0.03 0.00 0.00 46.19 42.09 1piv s LEU 66 CO 0.10 -1.34 1.61 0.47 0.23 0.00 0.00 176.35 177.42 1piv n ASP 67 N -2.97 3.03 -4.75 2.29 8.00 -1.26 -4.62 116.55 116.26 1piv n ASP 67 Ca 0.07 1.07 -0.41 0.00 0.71 0.00 0.00 54.79 56.22 1piv n ASP 67 Cb 0.57 -1.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.26 1piv n ASP 67 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1piv s THR 68 N 1.47 2.47 0.15 -3.53 2.01 -1.26 -4.80 115.64 112.16 1piv s THR 68 Ca 0.82 0.42 0.05 0.00 0.31 0.00 0.00 61.69 63.28 1piv s THR 68 Cb -0.71 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1piv s THR 68 CO 0.41 0.08 0.12 0.68 -0.69 0.00 0.00 174.62 175.22 1piv s VAL 69 N -0.35 4.44 -0.18 3.82 -7.23 -0.85 -4.97 120.40 115.08 1piv s VAL 69 Ca 0.57 -1.05 -0.08 0.00 -1.81 0.00 0.00 61.98 59.62 1piv s VAL 69 Cb -0.43 -3.24 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 1piv s VAL 69 CO 0.49 -0.07 0.08 -0.04 -0.31 0.00 0.00 175.10 175.24 1piv s MET 70 N -2.97 3.93 -0.28 4.82 -1.94 -1.26 -0.68 119.30 120.92 1piv s MET 70 Ca 0.30 -0.31 -0.13 0.00 -1.71 0.00 0.00 55.69 53.84 1piv s MET 70 Cb -0.10 -3.23 -0.04 0.00 2.01 0.00 0.00 34.83 33.47 1piv s MET 70 CO 0.23 0.33 0.28 -0.46 -0.01 0.00 0.00 175.02 175.39 1piv s TRP 71 N 0.21 3.23 0.35 -0.03 -0.00 0.57 -4.94 118.94 118.33 1piv s TRP 71 Ca 0.05 0.22 0.04 0.00 -0.00 0.00 0.00 56.10 56.40 1piv s TRP 71 Cb -0.12 -2.49 -0.06 0.00 -0.00 0.00 0.00 33.47 30.80 1piv s TRP 71 CO 0.00 -0.22 0.06 0.20 -0.00 0.00 0.00 176.95 176.99 1piv s GLY 72 N 1.71 2.22 0.64 5.86 0.00 -1.26 -1.15 107.32 115.33 1piv s GLY 72 Ca 0.11 -1.88 0.33 0.00 0.00 0.00 0.00 44.72 43.27 1piv s GLY 72 CO 0.11 -1.85 2.05 0.50 0.00 0.00 0.00 173.10 173.91 1piv h LYS 73 N 2.02 0.00 -0.07 2.90 1.57 -1.82 -0.93 116.57 120.23 1piv h LYS 73 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1piv h LYS 73 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1piv h LYS 73 CO 0.68 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.95 1piv n GLU 74 N -3.23 2.31 -1.83 3.15 -0.58 -1.26 -4.86 120.64 114.34 1piv n GLU 74 Ca -0.00 -1.91 -0.43 0.00 -0.42 0.00 0.00 57.16 54.40 1piv n GLU 74 Cb 0.34 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.71 1piv n GLU 74 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1piv s SER 75 N -1.93 6.14 0.10 1.62 0.01 -0.36 -4.91 113.70 114.37 1piv s SER 75 Ca 0.30 2.05 0.24 0.00 1.31 0.00 0.00 55.95 59.85 1piv s SER 75 Cb 0.20 -2.53 0.35 0.00 0.21 0.00 0.00 66.02 64.26 1piv s SER 75 CO 0.30 -1.39 1.32 0.29 0.41 0.00 0.00 173.24 174.18 1piv n LYS 76 N 7.92 0.26 0.00 12.44 4.76 -1.26 -4.71 118.16 137.57 1piv n LYS 76 Ca 0.22 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 1piv n LYS 76 Cb 0.44 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1piv n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1piv n GLY 77 N 1.36 4.49 3.19 0.72 0.00 -1.26 -4.50 105.19 109.18 1piv n GLY 77 Ca 0.03 -1.36 -0.20 0.00 0.00 0.00 0.00 46.02 44.50 1piv n GLY 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1piv s TRP 78 N -2.03 1.31 0.03 1.61 0.51 -0.16 -1.11 118.94 119.10 1piv s TRP 78 Ca 0.00 -0.44 0.01 0.00 -2.12 0.00 0.00 56.10 53.55 1piv s TRP 78 Cb 0.00 -0.74 -0.02 0.00 -0.81 0.00 0.00 33.47 31.89 1piv s TRP 78 CO 0.00 0.08 -0.04 1.67 -0.51 0.00 0.00 176.95 178.14 1piv s TRP 79 N -1.18 0.39 0.08 -1.98 1.48 -0.54 -0.63 118.94 116.56 1piv s TRP 79 Ca -0.00 -0.57 0.01 0.00 -1.06 0.00 0.00 56.10 54.48 1piv s TRP 79 Cb -0.10 -0.26 -0.04 0.00 -1.16 0.00 0.00 33.47 31.91 1piv s TRP 79 CO 0.02 -0.18 -0.06 -1.58 -4.06 0.00 0.00 176.95 171.10 1piv s TRP 80 N -1.66 0.79 0.06 1.66 0.51 -0.08 -0.65 118.94 119.56 1piv s TRP 80 Ca -0.12 -0.85 0.09 0.00 -2.12 0.00 0.00 56.10 53.10 1piv s TRP 80 Cb -0.08 -0.47 -0.03 0.00 -0.81 0.00 0.00 33.47 32.07 1piv s TRP 80 CO -0.01 -0.17 -0.26 0.15 -0.51 0.00 0.00 176.95 176.15 1piv s LYS 81 N -3.39 1.68 -0.04 4.98 -0.14 -1.26 -0.59 119.74 120.99 1piv s LYS 81 Ca 0.07 -1.14 0.07 0.00 -1.36 0.00 0.00 55.97 53.61 1piv s LYS 81 Cb 0.03 -1.92 -0.02 0.00 -1.68 0.00 0.00 37.83 34.24 1piv s LYS 81 CO -0.04 0.49 -0.25 -0.51 -0.76 0.00 0.00 175.35 174.27 1piv s LEU 82 N -1.39 2.09 0.00 3.17 1.43 0.71 -0.60 118.68 124.09 1piv s LEU 82 Ca 0.12 -0.47 0.21 0.00 -1.03 0.00 0.00 54.13 52.95 1piv s LEU 82 Cb -0.10 -1.36 1.15 0.00 0.03 0.00 0.00 46.19 45.91 1piv s LEU 82 CO 0.03 0.29 1.65 -0.81 0.23 0.00 0.00 176.35 177.74 1piv n PRO 83 N 2.63 0.48 -0.28 1.29 -0.04 -1.26 -0.86 135.00 136.95 1piv n PRO 83 Ca -0.17 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.42 1piv n PRO 83 Cb 0.51 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.67 1piv n PRO 83 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1piv h ASP 84 N 0.00 -0.32 -0.51 3.54 3.58 -1.79 -0.08 116.42 120.84 1piv h ASP 84 Ca 0.00 0.21 0.15 0.00 0.42 0.00 0.00 57.03 57.81 1piv h ASP 84 Cb 0.09 0.36 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1piv h ASP 84 CO 0.00 -0.20 0.43 0.00 -2.88 0.00 0.00 179.24 176.59 1piv h ALA 85 N 1.77 2.34 -0.17 -0.78 0.00 -1.03 -1.86 119.26 119.54 1piv h ALA 85 Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1piv h ALA 85 Cb 0.87 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1piv h ALA 85 CO -0.71 -0.69 0.00 1.28 0.00 0.00 0.00 179.25 179.12 1piv n LEU 86 N -4.04 3.10 0.14 0.00 4.77 -0.06 -3.21 117.00 117.69 1piv n LEU 86 Ca 0.09 -1.20 0.18 0.00 -0.03 0.00 0.00 56.01 55.06 1piv n LEU 86 Cb 0.64 -0.10 0.67 0.00 -2.33 0.00 0.00 43.42 42.30 1piv n LEU 86 CO 0.33 0.59 1.16 0.08 -1.33 0.00 0.00 177.39 178.21 1piv h ARG 87 N 4.40 0.00 -0.19 3.23 0.11 -1.18 -0.09 114.38 120.66 1piv h ARG 87 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1piv h ARG 87 Cb 0.95 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 1piv h ARG 87 CO 0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 1piv n ASP 88 N -3.31 2.95 -4.43 0.08 8.00 -1.26 -4.35 116.55 114.22 1piv n ASP 88 Ca 0.06 -2.52 -0.44 0.00 0.71 0.00 0.00 54.79 52.61 1piv n ASP 88 Cb 0.71 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.45 1piv n ASP 88 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1piv s MET 89 N -1.92 3.15 1.85 -1.24 -1.94 -0.05 -4.88 119.30 114.27 1piv s MET 89 Ca 0.26 -1.08 0.00 0.00 -1.71 0.00 0.00 55.69 53.16 1piv s MET 89 Cb 0.20 -4.32 0.00 0.00 2.01 0.00 0.00 34.83 32.71 1piv s MET 89 CO 0.08 -1.74 0.00 0.41 -0.01 0.00 0.00 175.02 173.76 1piv n GLY 90 N 5.33 1.96 0.15 -0.03 0.00 -1.26 -2.03 105.19 109.31 1piv n GLY 90 Ca -0.02 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.88 1piv n GLY 90 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1piv h LEU 91 N 0.00 0.00 -0.04 0.99 3.38 -1.95 -2.96 115.31 114.73 1piv h LEU 91 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1piv h LEU 91 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1piv h LEU 91 CO 0.00 0.00 0.01 0.15 0.09 0.00 0.00 178.44 178.69 1piv h PHE 92 N 0.00 0.07 -0.31 1.13 3.57 -1.64 -1.77 116.94 117.98 1piv h PHE 92 Ca 0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1piv h PHE 92 Cb 0.43 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 1piv h PHE 92 CO 0.00 0.26 -0.01 0.78 -2.23 0.00 0.00 178.31 177.11 1piv h GLY 93 N -0.14 0.29 0.73 2.40 0.00 -1.24 -0.51 103.07 104.60 1piv h GLY 93 Ca 0.01 0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.42 1piv h GLY 93 CO -0.00 -0.07 0.14 1.46 0.00 0.00 0.00 176.54 178.07 1piv h GLN 94 N 0.08 0.30 -0.69 4.80 1.08 -1.53 -0.80 115.11 118.35 1piv h GLN 94 Ca 0.15 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1piv h GLN 94 Cb 0.21 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1piv h GLN 94 CO -0.26 0.20 0.44 -0.91 -0.95 0.00 0.00 178.83 177.35 1piv h ASN 95 N 0.30 0.81 -0.53 1.46 2.35 -0.97 -0.47 115.58 118.53 1piv h ASN 95 Ca 0.16 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 1piv h ASN 95 Cb 0.12 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 1piv h ASN 95 CO -0.15 0.61 0.31 -0.03 -1.65 0.00 0.00 177.43 176.51 1piv h MET 96 N 0.94 0.58 0.00 0.81 4.05 -0.66 -2.92 114.93 117.74 1piv h MET 96 Ca 0.25 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.57 1piv h MET 96 Cb -0.08 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.58 1piv h MET 96 CO -0.05 0.39 -0.45 1.88 0.23 0.00 0.00 176.91 178.91 1piv h TYR 97 N 0.60 0.00 0.00 1.39 0.05 -0.83 -3.27 116.97 114.91 1piv h TYR 97 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1piv h TYR 97 Cb 0.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.80 1piv h TYR 97 CO -0.07 0.32 -0.09 0.66 -1.05 0.00 0.00 178.16 177.93 1piv n TYR 98 N -3.13 0.01 -4.89 4.88 4.01 -0.21 -0.44 117.16 117.40 1piv n TYR 98 Ca 0.02 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.45 1piv n TYR 98 Cb 0.67 -0.46 -0.14 0.00 -0.31 0.00 0.00 39.34 39.10 1piv n TYR 98 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1piv s HIS 99 N -3.00 2.44 0.29 -0.72 3.76 -1.11 -2.08 115.29 114.86 1piv s HIS 99 Ca 0.13 -0.34 -0.00 0.00 -0.15 0.00 0.00 55.06 54.70 1piv s HIS 99 Cb 0.19 -1.45 0.43 0.00 1.11 0.00 0.00 32.58 32.86 1piv s HIS 99 CO 0.56 0.15 1.84 -0.92 -0.85 0.00 0.00 174.74 175.52 1piv h TYR 100 N 4.86 0.82 -4.20 1.40 3.20 -0.92 -3.45 116.97 118.68 1piv h TYR 100 Ca -0.46 -0.07 -0.59 0.00 3.14 0.00 0.00 58.73 60.75 1piv h TYR 100 Cb 1.14 -0.24 -0.26 0.00 1.54 0.00 0.00 36.73 38.91 1piv h TYR 100 CO 0.49 0.69 -0.84 -0.51 -1.64 0.00 0.00 178.16 176.34 1piv s LEU 101 N -9.34 2.15 -0.22 2.82 1.43 0.01 -4.11 118.68 111.43 1piv s LEU 101 Ca -0.10 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 52.32 1piv s LEU 101 Cb 0.16 -0.99 0.06 0.00 0.03 0.00 0.00 46.19 45.44 1piv s LEU 101 CO 0.79 0.17 0.56 -0.83 0.23 0.00 0.00 176.35 177.28 1piv s GLY 102 N -1.11 -0.44 0.04 -3.19 0.00 -0.69 -1.08 107.32 100.85 1piv s GLY 102 Ca 0.08 1.70 0.05 0.00 0.00 0.00 0.00 44.72 46.55 1piv s GLY 102 CO 0.01 1.55 -0.16 1.09 0.00 0.00 0.00 173.10 175.60 1piv s ARG 103 N 0.61 1.05 -0.19 2.90 1.70 -0.34 -4.05 118.95 120.64 1piv s ARG 103 Ca -0.03 -0.80 -0.25 0.00 -0.47 0.00 0.00 55.73 54.19 1piv s ARG 103 Cb -0.05 -1.09 0.06 0.00 -0.57 0.00 0.00 34.95 33.31 1piv s ARG 103 CO -0.04 0.27 0.66 0.45 -1.08 0.00 0.00 175.30 175.57 1piv s SER 104 N -1.12 -0.67 0.76 -2.89 0.15 -1.26 -1.48 113.70 107.18 1piv s SER 104 Ca 0.03 1.15 -0.01 0.00 0.70 0.00 0.00 55.95 57.82 1piv s SER 104 Cb -0.08 1.13 0.15 0.00 -1.71 0.00 0.00 66.02 65.51 1piv s SER 104 CO 0.01 -0.34 1.03 0.61 1.20 0.00 0.00 173.24 175.76 1piv n GLY 105 N 2.21 0.54 3.32 9.45 0.00 0.71 -4.33 105.19 117.09 1piv n GLY 105 Ca -0.15 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 1piv n GLY 105 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1piv s TYR 106 N -3.19 -0.43 -0.29 1.61 2.02 0.07 -0.13 117.35 117.01 1piv s TYR 106 Ca 0.68 1.00 -0.10 0.00 -0.37 0.00 0.00 57.07 58.27 1piv s TYR 106 Cb -0.04 0.16 -0.03 0.00 -0.40 0.00 0.00 41.96 41.66 1piv s TYR 106 CO 0.45 -0.27 0.16 0.99 -1.57 0.00 0.00 175.55 175.31 1piv s THR 107 N -0.11 4.90 -0.24 -0.71 2.01 0.03 0.21 115.64 121.73 1piv s THR 107 Ca -0.03 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.76 1piv s THR 107 Cb -0.03 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1piv s THR 107 CO 0.02 0.18 0.13 -0.69 -0.69 0.00 0.00 174.62 173.57 1piv s VAL 108 N 1.68 5.07 -0.30 3.82 1.01 0.19 -1.03 120.40 130.84 1piv s VAL 108 Ca 0.06 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1piv s VAL 108 Cb -0.16 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 32.94 1piv s VAL 108 CO 0.08 0.35 -0.01 -2.28 0.00 0.00 0.00 175.10 173.24 1piv s HIS 109 N 1.11 3.41 -0.12 5.22 2.46 -0.01 -1.32 115.29 126.04 1piv s HIS 109 Ca 0.06 -2.63 -0.20 0.00 0.47 0.00 0.00 55.06 52.77 1piv s HIS 109 Cb -0.14 -2.43 -0.04 0.00 -0.13 0.00 0.00 32.58 29.84 1piv s HIS 109 CO 0.04 -0.91 0.54 0.08 -2.47 0.00 0.00 174.74 172.03 1piv s VAL 110 N 1.03 5.14 -0.22 0.89 1.01 -0.10 -1.51 120.40 126.64 1piv s VAL 110 Ca 0.03 1.09 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 1piv s VAL 110 Cb -0.19 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.31 1piv s VAL 110 CO -0.08 0.28 -0.08 -1.10 0.00 0.00 0.00 175.10 174.13 1piv s GLN 111 N 0.83 3.17 -0.34 2.72 -0.21 0.47 -1.19 119.66 125.12 1piv s GLN 111 Ca 0.29 -0.75 0.04 0.00 0.02 0.00 0.00 55.36 54.96 1piv s GLN 111 Cb -0.16 -2.92 0.17 0.00 1.00 0.00 0.00 33.01 31.10 1piv s GLN 111 CO 0.12 -0.25 0.46 0.00 -2.12 0.00 0.00 175.29 173.50 1piv s ASN 113 N 2.04 6.35 0.00 0.00 4.22 -1.26 -4.48 114.94 121.82 1piv s ASN 113 Ca 0.13 0.24 0.00 0.00 -2.14 0.00 0.00 52.86 51.09 1piv s ASN 113 Cb -0.11 -1.94 0.00 0.00 1.28 0.00 0.00 41.25 40.47 1piv s ASN 113 CO -0.16 0.12 0.00 0.00 -2.04 0.00 0.00 177.10 175.02 1piv n ALA 114 N -0.05 0.00 -3.56 3.54 0.00 -1.26 -4.82 120.51 114.36 1piv n ALA 114 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1piv n ALA 114 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 1piv n ALA 114 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1piv s SER 115 N 1.10 -0.36 0.60 0.00 1.04 -1.26 -4.98 113.70 109.84 1piv s SER 115 Ca 0.00 -0.12 0.30 0.00 0.48 0.00 0.00 55.95 56.61 1piv s SER 115 Cb 0.00 0.47 1.62 0.00 0.10 0.00 0.00 66.02 68.21 1piv s SER 115 CO 0.00 -0.79 1.90 0.11 0.98 0.00 0.00 173.24 175.44 1piv h LYS 116 N 2.00 0.00 -0.02 4.02 1.79 -1.99 -0.49 116.57 121.88 1piv h LYS 116 Ca -0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1piv h LYS 116 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1piv h LYS 116 CO 0.31 0.00 -0.08 1.19 -1.08 0.00 0.00 179.45 179.78 1piv n PHE 117 N -2.78 0.00 -2.70 -1.35 3.01 -1.26 -4.97 117.46 107.42 1piv n PHE 117 Ca -0.02 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.20 1piv n PHE 117 Cb 0.30 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.80 1piv n PHE 117 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1piv s HIS 118 N -1.90 3.13 0.01 1.38 3.76 -0.19 -4.03 115.29 117.44 1piv s HIS 118 Ca 0.24 0.30 -0.00 0.00 -0.15 0.00 0.00 55.06 55.44 1piv s HIS 118 Cb 0.18 -2.59 -0.01 0.00 1.11 0.00 0.00 32.58 31.27 1piv s HIS 118 CO 0.32 -0.67 -0.01 -1.14 -0.85 0.00 0.00 174.74 172.39 1piv s GLN 119 N -4.77 0.14 0.00 1.40 0.74 0.68 -4.71 119.66 113.14 1piv s GLN 119 Ca 0.53 -0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.69 1piv s GLN 119 Cb -0.10 0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.06 1piv s GLN 119 CO 0.40 -0.02 0.00 0.41 -0.55 0.00 0.00 175.29 175.53 1piv n GLY 120 N 2.46 4.22 2.75 2.59 0.00 -1.26 -0.99 105.19 114.96 1piv n GLY 120 Ca -0.17 -1.10 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 1piv n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piv s ALA 121 N -2.00 0.08 -0.24 4.61 0.00 -0.35 -1.45 121.76 122.41 1piv s ALA 121 Ca 0.00 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 1piv s ALA 121 Cb 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 1piv s ALA 121 CO 0.00 -0.39 0.23 -0.51 0.00 0.00 0.00 175.76 175.09 1piv s LEU 122 N 1.85 4.10 -0.46 0.00 1.43 0.16 -0.01 118.68 125.76 1piv s LEU 122 Ca 0.00 0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 53.05 1piv s LEU 122 Cb -0.12 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 43.91 1piv s LEU 122 CO -0.04 -0.01 0.79 -0.83 0.23 0.00 0.00 176.35 176.50 1piv s GLY 123 N 1.24 1.59 -0.36 -3.19 0.00 0.36 -0.76 107.32 106.20 1piv s GLY 123 Ca 0.10 -1.03 -0.13 0.00 0.00 0.00 0.00 44.72 43.67 1piv s GLY 123 CO 0.07 1.79 0.24 0.14 0.00 0.00 0.00 173.10 175.34 1piv s VAL 124 N 3.31 5.05 -0.12 1.40 1.01 -0.37 -1.49 120.40 129.19 1piv s VAL 124 Ca 0.30 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1piv s VAL 124 Cb -0.12 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1piv s VAL 124 CO 0.22 -0.11 -0.20 -0.36 0.00 0.00 0.00 175.10 174.65 1piv s PHE 125 N 1.67 2.66 -0.51 5.22 0.08 0.15 -1.57 117.98 125.68 1piv s PHE 125 Ca 0.05 -1.01 -0.15 0.00 0.12 0.00 0.00 56.93 55.93 1piv s PHE 125 Cb -0.18 -1.78 0.11 0.00 -0.57 0.00 0.00 43.02 40.60 1piv s PHE 125 CO 0.09 -0.41 0.44 0.00 -0.10 0.00 0.00 175.22 175.24 1piv s ALA 126 N 0.48 3.59 -0.28 5.36 0.00 0.16 -0.85 121.76 130.23 1piv s ALA 126 Ca -0.14 -2.36 -0.09 0.00 0.00 0.00 0.00 51.96 49.37 1piv s ALA 126 Cb -0.17 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1piv s ALA 126 CO 0.05 -1.89 0.14 0.42 0.00 0.00 0.00 175.76 174.48 1piv s ILE 127 N 1.60 4.77 0.28 0.00 1.01 0.14 -3.93 121.20 125.06 1piv s ILE 127 Ca 0.04 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 1piv s ILE 127 Cb -0.27 -3.30 -0.10 0.00 0.01 0.00 0.00 42.46 38.80 1piv s ILE 127 CO 0.04 0.24 1.44 -2.16 0.00 0.00 0.00 174.94 174.50 1piv s PRO 128 N 1.67 4.25 -1.35 2.79 0.04 -1.26 -0.54 135.00 140.61 1piv s PRO 128 Ca 0.06 2.34 -0.03 0.00 0.04 0.00 0.00 61.00 63.41 1piv s PRO 128 Cb -0.16 -3.08 -0.00 0.00 0.04 0.00 0.00 34.50 31.30 1piv s PRO 128 CO 0.07 -0.41 0.51 0.39 0.04 0.00 0.00 177.00 177.60 1piv n GLU 129 N 1.90 -3.24 -1.59 4.56 -0.58 0.03 -4.80 120.64 116.92 1piv n GLU 129 Ca 0.05 0.44 -0.36 0.00 -0.42 0.00 0.00 57.16 56.88 1piv n GLU 129 Cb 0.40 -4.56 -0.06 0.00 -0.57 0.00 0.00 31.44 26.65 1piv n GLU 129 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1piv n TYR 130 N -4.36 2.24 -2.17 -0.32 9.36 -1.23 -4.92 117.16 115.76 1piv n TYR 130 Ca -0.28 -1.59 -0.42 0.00 3.32 0.00 0.00 57.90 58.92 1piv n TYR 130 Cb 0.67 -2.13 -0.03 0.00 -0.63 0.00 0.00 39.34 37.22 1piv n TYR 130 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1piv s LEU 132 N 2.17 3.82 0.50 0.00 1.43 -1.26 -4.66 118.68 120.67 1piv s LEU 132 Ca 0.65 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 53.57 1piv s LEU 132 Cb -0.34 -2.49 -0.08 0.00 0.03 0.00 0.00 46.19 43.31 1piv s LEU 132 CO 0.28 0.16 0.98 0.00 0.23 0.00 0.00 176.35 178.00 1piv s ALA 133 N -1.43 3.06 0.51 4.21 0.00 -0.24 -4.98 121.76 122.91 1piv s ALA 133 Ca 0.30 0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.53 1piv s ALA 133 Cb -0.12 -3.12 0.06 0.00 0.00 0.00 0.00 23.12 19.94 1piv s ALA 133 CO 0.22 -0.18 0.52 0.41 0.00 0.00 0.00 175.76 176.73 1piv n GLY 134 N -1.45 2.44 0.32 0.00 0.00 -1.26 -0.40 105.19 104.85 1piv n GLY 134 Ca 0.07 -2.26 0.10 0.00 0.00 0.00 0.00 46.02 43.93 1piv n GLY 134 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1piv h ASP 135 N 0.39 0.56 -0.80 1.61 3.32 -0.98 -3.35 116.42 117.18 1piv h ASP 135 Ca -0.29 0.11 -0.62 0.00 0.02 0.00 0.00 57.03 56.24 1piv h ASP 135 Cb 1.15 0.02 -0.10 0.00 0.22 0.00 0.00 39.33 40.63 1piv h ASP 135 CO 0.44 0.19 -0.46 -0.44 -1.72 0.00 0.00 179.24 177.25 1piv s SER 136 N -5.36 4.31 0.42 6.45 0.01 -1.26 0.05 113.70 118.32 1piv s SER 136 Ca -0.12 -1.39 0.17 0.00 1.31 0.00 0.00 55.95 55.92 1piv s SER 136 Cb 0.23 0.20 0.92 0.00 0.21 0.00 0.00 66.02 67.58 1piv s SER 136 CO 0.79 -0.82 1.90 0.44 0.41 0.00 0.00 173.24 175.95 1piv h ASP 137 N 1.24 0.00 -2.73 2.44 3.32 -1.94 -3.43 116.42 115.31 1piv h ASP 137 Ca -0.42 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.08 1piv h ASP 137 Cb 1.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1piv h ASP 137 CO 0.69 0.28 1.04 -0.54 -1.72 0.00 0.00 179.24 178.99 1piv s LYS 138 N -4.22 4.14 0.27 3.56 -0.14 -1.26 -5.03 119.74 117.06 1piv s LYS 138 Ca -0.03 1.94 -0.26 0.00 -1.36 0.00 0.00 55.97 56.26 1piv s LYS 138 Cb 0.14 -3.92 -0.09 0.00 -1.68 0.00 0.00 37.83 32.27 1piv s LYS 138 CO 0.69 -0.87 0.89 -0.65 -0.76 0.00 0.00 175.35 174.65 1piv s GLN 139 N 3.97 4.61 -1.29 1.68 -0.21 -1.26 -4.03 119.66 123.12 1piv s GLN 139 Ca 0.67 1.29 0.00 0.00 0.02 0.00 0.00 55.36 57.34 1piv s GLN 139 Cb -0.28 -2.98 0.00 0.00 1.00 0.00 0.00 33.01 30.75 1piv s GLN 139 CO 0.25 0.39 0.00 0.54 -2.12 0.00 0.00 175.29 174.35 1piv n ARG 140 N 0.93 -1.87 -0.01 2.91 1.74 -1.26 -4.88 116.66 114.22 1piv n ARG 140 Ca -0.00 0.73 0.13 0.00 -0.77 0.00 0.00 57.85 57.93 1piv n ARG 140 Cb 0.49 -5.23 0.38 0.00 -1.02 0.00 0.00 32.46 27.08 1piv n ARG 140 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1piv n TYR 141 N -3.04 0.02 -1.81 -1.55 9.36 -1.26 -4.94 117.16 113.94 1piv n TYR 141 Ca -0.16 -0.01 -0.42 0.00 3.32 0.00 0.00 57.90 60.63 1piv n TYR 141 Cb 0.58 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.26 1piv n TYR 141 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1piv s THR 142 N -1.98 2.94 0.52 2.97 2.01 -1.26 -4.78 115.64 116.05 1piv s THR 142 Ca 0.35 0.26 -0.20 0.00 0.31 0.00 0.00 61.69 62.40 1piv s THR 142 Cb 0.21 -3.17 -0.07 0.00 0.01 0.00 0.00 72.50 69.48 1piv s THR 142 CO 0.32 -0.01 1.13 -0.94 -0.69 0.00 0.00 174.62 174.43 1piv s SER 143 N 3.11 5.91 0.22 3.53 1.04 -0.43 -4.77 113.70 122.31 1piv s SER 143 Ca 0.80 2.17 -0.12 0.00 0.48 0.00 0.00 55.95 59.28 1piv s SER 143 Cb -0.42 -2.58 0.28 0.00 0.10 0.00 0.00 66.02 63.40 1piv s SER 143 CO 0.35 -1.09 1.61 0.22 0.98 0.00 0.00 173.24 175.32 1piv h TYR 144 N 1.45 -0.36 -0.86 5.02 5.03 -1.93 0.19 116.97 125.51 1piv h TYR 144 Ca -0.50 0.06 0.05 0.00 2.58 0.00 0.00 58.73 60.92 1piv h TYR 144 Cb 1.25 0.27 -0.06 0.00 1.55 0.00 0.00 36.73 39.75 1piv h TYR 144 CO 0.52 -0.30 0.54 0.00 -1.32 0.00 0.00 178.16 177.60 1piv h ALA 145 N 1.70 1.15 0.00 1.82 0.00 -1.90 -2.17 119.26 119.87 1piv h ALA 145 Ca 0.34 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 1piv h ALA 145 Cb 0.52 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1piv h ALA 145 CO -0.72 0.33 -0.72 -0.91 0.00 0.00 0.00 179.25 177.23 1piv h ASN 146 N 1.02 0.00 0.90 0.00 2.35 -1.43 -3.18 115.58 115.23 1piv h ASN 146 Ca 0.36 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.06 1piv h ASN 146 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1piv h ASN 146 CO -0.15 0.72 -0.21 0.00 -1.65 0.00 0.00 177.43 176.14 1piv h ALA 147 N 1.28 1.03 -3.06 -0.83 0.00 -0.36 -3.40 119.26 113.92 1piv h ALA 147 Ca -0.01 -0.19 -0.67 0.00 0.00 0.00 0.00 54.91 54.04 1piv h ALA 147 Cb 1.43 -0.03 -0.38 0.00 0.00 0.00 0.00 17.79 18.80 1piv h ALA 147 CO 0.09 0.27 -0.38 -0.80 0.00 0.00 0.00 179.25 178.43 1piv s ASN 148 N -6.17 5.23 0.00 0.00 0.01 -0.84 -4.94 114.94 108.22 1piv s ASN 148 Ca 0.00 -3.52 0.26 0.00 -0.71 0.00 0.00 52.86 48.89 1piv s ASN 148 Cb 0.10 -1.77 1.49 0.00 0.41 0.00 0.00 41.25 41.48 1piv s ASN 148 CO 0.63 -0.19 1.92 -0.81 -1.51 0.00 0.00 177.10 177.14 1piv n PRO 149 N 2.51 0.66 0.00 -0.60 -0.04 -1.26 -4.88 135.00 131.39 1piv n PRO 149 Ca 0.16 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1piv n PRO 149 Cb 0.36 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1piv n PRO 149 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1piv n GLY 150 N 0.75 1.03 0.43 0.55 0.00 -1.26 -3.47 105.19 103.22 1piv n GLY 150 Ca 0.17 -0.66 0.23 0.00 0.00 0.00 0.00 46.02 45.76 1piv n GLY 150 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1piv h GLU 151 N 0.00 0.24 0.00 1.61 4.81 -1.73 -2.19 114.58 117.31 1piv h GLU 151 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1piv h GLU 151 Cb 0.00 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1piv h GLU 151 CO 0.00 0.16 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.26 1piv h ARG 152 N 0.24 0.00 0.00 1.92 2.43 -1.89 -3.42 114.38 113.66 1piv h ARG 152 Ca 0.47 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.75 1piv h ARG 152 Cb 1.43 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.95 1piv h ARG 152 CO -0.12 0.08 -0.15 0.41 -1.51 0.00 0.00 179.97 178.68 1piv n GLY 153 N -1.30 -1.35 0.82 2.80 0.00 -0.82 -4.99 105.19 100.35 1piv n GLY 153 Ca -0.03 -1.09 -0.07 0.00 0.00 0.00 0.00 46.02 44.83 1piv n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1piv n GLY 154 N -1.24 3.95 3.26 -0.02 0.00 0.17 -4.78 105.19 106.53 1piv n GLY 154 Ca 0.00 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 1piv n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1piv s LYS 155 N -2.39 1.14 0.33 1.61 1.02 -1.26 -1.47 119.74 118.72 1piv s LYS 155 Ca 0.03 -1.55 0.07 0.00 0.02 0.00 0.00 55.97 54.54 1piv s LYS 155 Cb 0.00 -0.40 -0.01 0.00 -0.52 0.00 0.00 37.83 36.90 1piv s LYS 155 CO 0.02 -0.09 0.46 -0.06 -0.92 0.00 0.00 175.35 174.77 1piv s PHE 156 N -3.55 3.12 0.09 3.18 0.08 -0.27 -4.54 117.98 116.08 1piv s PHE 156 Ca 0.23 -0.21 0.06 0.00 0.12 0.00 0.00 56.93 57.13 1piv s PHE 156 Cb 0.05 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 1piv s PHE 156 CO 0.04 0.01 -0.17 0.71 -0.10 0.00 0.00 175.22 175.72 1piv s TYR 157 N -2.17 1.43 -0.16 0.36 2.02 0.51 -4.60 117.35 114.74 1piv s TYR 157 Ca 0.44 -0.45 0.29 0.00 -0.37 0.00 0.00 57.07 56.99 1piv s TYR 157 Cb -0.09 -0.79 1.15 0.00 -0.40 0.00 0.00 41.96 41.83 1piv s TYR 157 CO 0.31 0.12 1.86 0.77 -1.57 0.00 0.00 175.55 177.04 1piv h SER 158 N 4.16 0.00 -5.08 2.29 0.02 -1.94 0.77 113.55 113.78 1piv h SER 158 Ca -0.43 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.50 1piv h SER 158 Cb 1.19 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.62 1piv h SER 158 CO 0.41 0.00 0.03 0.00 -1.14 0.00 0.00 176.83 176.12 1piv s GLN 159 N -3.50 1.34 -0.80 3.45 -2.07 -1.26 -4.73 119.66 112.09 1piv s GLN 159 Ca 0.03 -0.83 -0.25 0.00 -1.82 0.00 0.00 55.36 52.49 1piv s GLN 159 Cb 0.09 0.52 0.04 0.00 -1.09 0.00 0.00 33.01 32.57 1piv s GLN 159 CO 0.50 -0.57 1.28 0.12 -1.32 0.00 0.00 175.29 175.30 1piv s PHE 160 N -3.86 2.40 -0.56 9.60 5.36 -1.26 -4.87 117.98 124.79 1piv s PHE 160 Ca 0.08 -0.31 -0.20 0.00 -0.96 0.00 0.00 56.93 55.54 1piv s PHE 160 Cb -0.01 -4.60 0.07 0.00 -0.34 0.00 0.00 43.02 38.15 1piv s PHE 160 CO -0.04 -1.98 0.74 -0.80 -1.46 0.00 0.00 175.22 171.67 1piv s ASN 161 N 3.99 6.22 -0.06 6.13 -0.87 -1.26 -5.03 114.94 124.07 1piv s ASN 161 Ca 0.36 -0.98 -0.30 0.00 -1.57 0.00 0.00 52.86 50.37 1piv s ASN 161 Cb -0.07 -2.33 -0.06 0.00 -0.02 0.00 0.00 41.25 38.77 1piv s ASN 161 CO 0.08 -1.07 1.75 -0.75 -2.57 0.00 0.00 177.10 174.54 1piv s LYS 162 N 3.03 4.09 -0.62 -0.60 2.20 -1.26 -4.92 119.74 121.67 1piv s LYS 162 Ca 0.17 2.23 -0.26 0.00 -0.36 0.00 0.00 55.97 57.75 1piv s LYS 162 Cb -0.19 -4.05 -0.06 0.00 -1.51 0.00 0.00 37.83 32.02 1piv s LYS 162 CO 0.11 -0.96 2.20 0.34 -0.36 0.00 0.00 175.35 176.68 1piv s ASP 163 N 3.88 4.66 0.45 1.43 2.15 0.11 -4.85 116.67 124.49 1piv s ASP 163 Ca 0.78 0.52 0.22 0.00 0.43 0.00 0.00 52.55 54.50 1piv s ASP 163 Cb -0.35 -2.52 1.06 0.00 -0.30 0.00 0.00 42.92 40.81 1piv s ASP 163 CO 0.32 -2.88 1.91 0.78 -0.17 0.00 0.00 175.17 175.14 1piv h ASN 164 N 16.34 0.00 0.00 -0.34 4.21 -1.91 -3.43 115.58 130.45 1piv h ASN 164 Ca -0.17 0.00 -0.45 0.00 1.21 0.00 0.00 56.30 56.88 1piv h ASN 164 Cb 1.17 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 38.40 1piv h ASN 164 CO 1.16 0.24 2.37 0.00 -1.29 0.00 0.00 177.43 179.90 1piv n ALA 165 N -2.31 3.88 -0.47 -0.83 0.00 -1.26 -4.79 120.51 114.72 1piv n ALA 165 Ca -0.01 -2.34 0.37 0.00 0.00 0.00 0.00 53.44 51.46 1piv n ALA 165 Cb 0.36 -3.21 0.60 0.00 0.00 0.00 0.00 19.45 17.19 1piv n ALA 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1piv n VAL 166 N 4.96 -0.11 -0.07 0.00 0.31 -1.26 -0.60 118.33 121.56 1piv n VAL 166 Ca 0.43 1.33 -0.11 0.00 -0.01 0.00 0.00 64.34 65.97 1piv n VAL 166 Cb 0.22 -2.19 -0.05 0.00 -0.91 0.00 0.00 33.84 30.92 1piv n VAL 166 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1piv h THR 167 N 0.00 1.25 -2.68 2.52 1.03 -2.00 -3.40 112.91 109.64 1piv h THR 167 Ca 0.73 -0.85 -0.60 0.00 -0.01 0.00 0.00 66.41 65.68 1piv h THR 167 Cb 2.62 1.42 -0.39 0.00 -1.07 0.00 0.00 68.15 70.73 1piv h THR 167 CO -0.20 0.26 -0.83 -0.44 -0.01 0.00 0.00 175.52 174.30 1piv s SER 168 N -5.85 2.83 0.31 0.00 0.01 0.23 -5.13 113.70 106.12 1piv s SER 168 Ca -0.14 -2.82 -0.28 0.00 1.31 0.00 0.00 55.95 54.03 1piv s SER 168 Cb 0.07 -0.73 -0.09 0.00 0.21 0.00 0.00 66.02 65.47 1piv s SER 168 CO 0.73 -0.22 1.06 -2.16 0.41 0.00 0.00 173.24 173.06 1piv s PRO 169 N 0.22 4.53 0.41 12.44 0.04 -1.22 -4.82 135.00 146.59 1piv s PRO 169 Ca 0.24 1.67 0.29 0.00 0.04 0.00 0.00 61.00 63.23 1piv s PRO 169 Cb -0.12 -3.00 1.10 0.00 0.04 0.00 0.00 34.50 32.52 1piv s PRO 169 CO -0.09 0.15 1.84 0.87 0.04 0.00 0.00 177.00 179.81 1piv h LYS 170 N 3.45 0.00 -6.87 4.56 1.57 -1.92 -3.47 116.57 113.89 1piv h LYS 170 Ca -0.47 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.74 1piv h LYS 170 Cb 1.21 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.34 1piv h LYS 170 CO 0.66 0.00 -0.92 0.54 -0.57 0.00 0.00 179.45 179.16 1piv n ARG 171 N -2.71 -1.95 -4.18 3.15 1.74 -1.26 -4.88 116.66 106.56 1piv n ARG 171 Ca 0.02 0.23 -0.23 0.00 -0.77 0.00 0.00 57.85 57.10 1piv n ARG 171 Cb 0.31 -4.22 -0.06 0.00 -1.02 0.00 0.00 32.46 27.46 1piv n ARG 171 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1piv s GLU 172 N -7.05 2.47 0.63 5.56 2.02 -1.26 -1.32 118.70 119.75 1piv s GLU 172 Ca 0.20 -1.37 -0.14 0.00 0.02 0.00 0.00 54.97 53.67 1piv s GLU 172 Cb -0.11 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 1piv s GLU 172 CO 0.96 0.29 1.06 -0.06 0.02 0.00 0.00 175.26 177.53 1piv s PHE 173 N -2.31 3.00 -0.54 1.61 0.08 -1.26 -0.44 117.98 118.12 1piv s PHE 173 Ca 0.34 1.49 0.06 0.00 0.12 0.00 0.00 56.93 58.94 1piv s PHE 173 Cb -0.06 -2.98 0.21 0.00 -0.57 0.00 0.00 43.02 39.63 1piv s PHE 173 CO 0.22 -1.18 0.54 0.00 -0.10 0.00 0.00 175.22 174.70 1piv s PRO 175 N -1.35 3.03 -0.15 0.00 0.02 -1.26 -4.74 135.00 130.56 1piv s PRO 175 Ca 0.34 0.73 -0.27 0.00 0.02 0.00 0.00 61.00 61.82 1piv s PRO 175 Cb 0.09 -4.25 -0.01 0.00 0.02 0.00 0.00 34.50 30.35 1piv s PRO 175 CO -0.12 -2.25 0.93 0.08 -0.33 0.00 0.00 177.00 175.31 1piv s VAL 176 N 7.48 4.82 0.14 3.83 1.01 -1.26 -0.36 120.40 136.06 1piv s VAL 176 Ca 0.64 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 64.17 1piv s VAL 176 Cb -0.14 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 1piv s VAL 176 CO 0.25 -0.00 1.56 -2.24 0.00 0.00 0.00 175.10 174.67 1piv h ASP 177 N 7.23 -1.62 0.45 3.32 3.04 -1.13 -1.41 116.42 126.31 1piv h ASP 177 Ca -0.29 0.22 0.00 0.00 -3.24 0.00 0.00 57.03 53.72 1piv h ASP 177 Cb 1.13 0.68 0.00 0.00 -1.04 0.00 0.00 39.33 40.10 1piv h ASP 177 CO 0.86 -0.40 0.00 0.00 -2.04 0.00 0.00 179.24 177.66 1piv n TYR 178 N -5.41 0.00 -0.67 4.15 4.11 -1.26 -1.09 117.16 116.99 1piv n TYR 178 Ca -0.03 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 57.97 1piv n TYR 178 Cb 0.35 -0.47 0.37 0.00 -0.00 0.00 0.00 39.34 39.59 1piv n TYR 178 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1piv n LEU 179 N -1.47 4.91 -2.35 -3.48 4.77 -0.90 -0.59 117.00 117.88 1piv n LEU 179 Ca 0.04 -2.52 -0.07 0.00 -0.03 0.00 0.00 56.01 53.43 1piv n LEU 179 Cb 0.16 -0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.65 1piv n LEU 179 CO 0.13 0.79 -0.09 -0.11 -1.33 0.00 0.00 177.39 176.78 1piv n LEU 180 N 1.06 -0.65 0.00 2.23 7.94 -0.25 -0.80 117.00 126.52 1piv n LEU 180 Ca 0.26 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.47 1piv n LEU 180 Cb 0.94 -1.64 0.00 0.00 0.53 0.00 0.00 43.42 43.25 1piv n LEU 180 CO 0.25 -0.10 0.00 0.61 -1.11 0.00 0.00 177.39 177.04 1piv n GLY 181 N -0.63 0.06 0.59 -3.96 0.00 -0.58 -4.83 105.19 95.84 1piv n GLY 181 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1piv n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piv n GLY 183 N -0.06 0.74 3.85 0.00 0.00 -1.07 -4.92 105.19 103.73 1piv n GLY 183 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1piv n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1piv s VAL 184 N -2.86 1.69 -0.07 1.61 -7.23 -1.17 -5.07 120.40 107.31 1piv s VAL 184 Ca 0.00 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.39 1piv s VAL 184 Cb 0.00 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 1piv s VAL 184 CO 0.00 0.00 0.39 -0.76 -0.31 0.00 0.00 175.10 174.42 1piv s LEU 185 N -4.13 4.38 0.35 1.32 1.43 -1.26 -3.93 118.68 116.84 1piv s LEU 185 Ca 0.30 0.81 0.10 0.00 -1.03 0.00 0.00 54.13 54.32 1piv s LEU 185 Cb -0.00 -2.55 0.87 0.00 0.03 0.00 0.00 46.19 44.54 1piv s LEU 185 CO 0.18 0.20 1.82 0.25 0.23 0.00 0.00 176.35 179.03 1piv h LEU 186 N 5.61 0.64 -2.00 1.79 5.85 -1.10 -1.94 115.31 124.16 1piv h LEU 186 Ca -0.47 0.06 0.25 0.00 0.84 0.00 0.00 57.88 58.56 1piv h LEU 186 Cb 1.20 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1piv h LEU 186 CO 0.68 0.26 0.62 1.23 -0.34 0.00 0.00 178.44 180.88 1piv h GLY 187 N 0.64 0.00 0.89 3.75 0.00 -1.94 0.79 103.07 107.20 1piv h GLY 187 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1piv h GLY 187 CO -0.27 0.00 -0.24 0.70 0.00 0.00 0.00 176.54 176.73 1piv n ASN 188 N -4.26 0.56 0.12 0.19 3.02 -0.73 -4.03 115.26 110.14 1piv n ASN 188 Ca 0.18 -0.43 0.09 0.00 -0.03 0.00 0.00 54.58 54.38 1piv n ASN 188 Cb 0.93 0.02 0.45 0.00 -0.61 0.00 0.00 39.78 40.57 1piv n ASN 188 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1piv n ALA 189 N -1.09 1.07 0.29 5.41 0.00 0.27 -2.03 120.51 124.42 1piv n ALA 189 Ca 0.10 0.15 0.16 0.00 0.00 0.00 0.00 53.44 53.85 1piv n ALA 189 Cb 0.32 -1.25 0.77 0.00 0.00 0.00 0.00 19.45 19.29 1piv n ALA 189 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1piv h PHE 190 N 0.00 0.00 0.00 0.00 -1.00 -1.77 -1.40 116.94 112.77 1piv h PHE 190 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1piv h PHE 190 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1piv h PHE 190 CO 0.00 0.00 0.00 1.33 -1.61 0.00 0.00 178.31 178.03 1piv n VAL 191 N -2.65 1.17 -3.20 -0.55 0.24 -0.86 -4.64 118.33 107.84 1piv n VAL 191 Ca -0.01 0.33 -0.34 0.00 -2.04 0.00 0.00 64.34 62.28 1piv n VAL 191 Cb 0.14 -1.18 -0.06 0.00 -1.47 0.00 0.00 33.84 31.28 1piv n VAL 191 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1piv s TYR 192 N -3.10 3.49 -0.04 6.34 2.02 -0.53 -5.04 117.35 120.50 1piv s TYR 192 Ca 0.04 1.19 -0.39 0.00 -0.37 0.00 0.00 57.07 57.55 1piv s TYR 192 Cb 0.07 -2.49 -0.17 0.00 -0.40 0.00 0.00 41.96 38.97 1piv s TYR 192 CO 0.23 0.24 1.40 -2.30 -1.57 0.00 0.00 175.55 173.56 1piv n PRO 193 N 0.16 0.90 -3.72 -1.71 -0.02 -1.25 -4.81 135.00 124.55 1piv n PRO 193 Ca 0.00 0.33 -0.08 0.00 -2.02 0.00 0.00 63.50 61.73 1piv n PRO 193 Cb 0.52 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 1piv n PRO 193 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1piv s HIS 194 N 1.24 -0.29 0.09 6.00 -3.43 -1.26 -0.66 115.29 116.98 1piv s HIS 194 Ca 0.90 -0.08 -0.07 0.00 -0.80 0.00 0.00 55.06 55.01 1piv s HIS 194 Cb -1.06 0.66 -0.01 0.00 -1.43 0.00 0.00 32.58 30.74 1piv s HIS 194 CO 0.55 -1.08 0.16 -0.65 -2.00 0.00 0.00 174.74 171.72 1piv s GLN 195 N -3.79 0.84 -0.10 -0.38 -0.21 -0.61 -4.94 119.66 110.46 1piv s GLN 195 Ca 0.08 -1.04 0.02 0.00 0.02 0.00 0.00 55.36 54.44 1piv s GLN 195 Cb -0.04 0.32 -0.01 0.00 1.00 0.00 0.00 33.01 34.28 1piv s GLN 195 CO 0.01 -0.26 -0.18 0.42 -2.12 0.00 0.00 175.29 173.16 1piv s ILE 196 N -3.89 2.62 -0.79 1.08 1.01 -1.26 -1.23 121.20 118.74 1piv s ILE 196 Ca 0.07 -0.83 -0.16 0.00 0.00 0.00 0.00 60.65 59.73 1piv s ILE 196 Cb 0.05 -2.05 0.18 0.00 0.01 0.00 0.00 42.46 40.65 1piv s ILE 196 CO -0.09 0.55 0.81 -0.63 0.00 0.00 0.00 174.94 175.58 1piv s ILE 197 N 0.18 5.28 -0.40 2.92 1.01 0.06 -4.91 121.20 125.34 1piv s ILE 197 Ca -0.11 -1.99 -0.18 0.00 0.00 0.00 0.00 60.65 58.38 1piv s ILE 197 Cb -0.16 -4.53 0.01 0.00 0.01 0.00 0.00 42.46 37.79 1piv s ILE 197 CO 0.06 -1.13 0.48 0.21 0.00 0.00 0.00 174.94 174.56 1piv s ASN 198 N 2.82 6.24 0.60 3.58 2.47 -1.26 -0.67 114.94 128.72 1piv s ASN 198 Ca 0.19 -0.42 0.28 0.00 0.42 0.00 0.00 52.86 53.34 1piv s ASN 198 Cb -0.13 -2.25 1.40 0.00 -1.45 0.00 0.00 41.25 38.82 1piv s ASN 198 CO -0.06 -0.56 1.80 -0.07 -3.72 0.00 0.00 177.10 174.49 1piv h LEU 199 N 9.13 0.00 -0.29 3.21 3.38 -1.46 0.21 115.31 129.49 1piv h LEU 199 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1piv h LEU 199 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1piv h LEU 199 CO 0.79 0.00 0.00 0.08 0.09 0.00 0.00 178.44 179.40 1piv h ARG 200 N 0.00 0.00 0.00 1.13 0.11 -1.84 -3.38 114.38 110.40 1piv h ARG 200 Ca 0.24 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.13 1piv h ARG 200 Cb 1.41 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.46 1piv h ARG 200 CO -0.00 0.00 -1.49 2.41 0.10 0.00 0.00 179.97 180.99 1piv n THR 201 N -2.36 1.22 -3.91 0.08 -1.04 0.65 -5.10 114.28 103.82 1piv n THR 201 Ca 0.04 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.05 61.89 1piv n THR 201 Cb 0.37 -1.92 -0.11 0.00 -1.82 0.00 0.00 70.33 66.85 1piv n THR 201 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1piv s ASN 202 N -6.40 0.10 0.21 8.00 4.22 -0.69 -4.84 114.94 115.54 1piv s ASN 202 Ca -0.24 -0.25 0.00 0.00 -2.14 0.00 0.00 52.86 50.23 1piv s ASN 202 Cb 0.07 0.13 0.17 0.00 1.28 0.00 0.00 41.25 42.91 1piv s ASN 202 CO 0.32 -0.23 1.53 0.78 -2.04 0.00 0.00 177.10 177.46 1piv h ASN 203 N 4.97 0.47 -5.26 3.54 -0.26 -0.63 -3.40 115.58 115.01 1piv h ASN 203 Ca -0.29 -0.26 -0.11 0.00 -0.56 0.00 0.00 56.30 55.08 1piv h ASN 203 Cb 1.20 -0.14 -0.13 0.00 -1.06 0.00 0.00 38.32 38.20 1piv h ASN 203 CO 0.43 0.94 -0.38 -0.94 -1.06 0.00 0.00 177.43 176.42 1piv s SER 204 N -6.91 0.10 -0.03 5.81 1.04 -1.21 -0.36 113.70 112.13 1piv s SER 204 Ca -0.06 -0.87 0.07 0.00 0.48 0.00 0.00 55.95 55.58 1piv s SER 204 Cb 0.12 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 1piv s SER 204 CO 0.82 -0.83 -0.25 0.00 0.98 0.00 0.00 173.24 173.96 1piv s ALA 205 N -3.95 2.17 -0.15 5.32 0.00 -0.33 -4.19 121.76 120.63 1piv s ALA 205 Ca 0.15 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 1piv s ALA 205 Cb 0.04 -0.60 0.05 0.00 0.00 0.00 0.00 23.12 22.61 1piv s ALA 205 CO -0.03 0.49 0.01 0.99 0.00 0.00 0.00 175.76 177.23 1piv s THR 206 N -0.46 0.56 -0.15 0.00 2.01 -1.26 -0.93 115.64 115.41 1piv s THR 206 Ca 0.05 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1piv s THR 206 Cb -0.11 -0.91 0.01 0.00 0.01 0.00 0.00 72.50 71.50 1piv s THR 206 CO 0.01 -0.01 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.08 1piv s ILE 207 N 1.86 2.08 -0.38 1.82 1.01 -0.43 -0.92 121.20 126.24 1piv s ILE 207 Ca 0.01 -0.97 -0.18 0.00 0.00 0.00 0.00 60.65 59.52 1piv s ILE 207 Cb -0.15 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.49 1piv s ILE 207 CO -0.07 0.55 0.48 -0.69 0.00 0.00 0.00 174.94 175.21 1piv s VAL 208 N 0.89 5.04 -0.22 2.92 1.01 0.71 -0.64 120.40 130.11 1piv s VAL 208 Ca -0.05 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 1piv s VAL 208 Cb -0.15 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1piv s VAL 208 CO -0.04 -0.29 0.30 -0.76 0.00 0.00 0.00 175.10 174.32 1piv s LEU 209 N 2.32 4.13 0.84 3.92 1.43 0.13 -1.10 118.68 130.35 1piv s LEU 209 Ca 0.16 0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 1piv s LEU 209 Cb -0.16 -2.34 0.10 0.00 0.03 0.00 0.00 46.19 43.82 1piv s LEU 209 CO 0.14 -0.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.62 1piv s PRO 210 N 1.27 1.71 -0.21 1.29 0.04 -1.26 -0.75 135.00 137.09 1piv s PRO 210 Ca 0.14 0.74 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 1piv s PRO 210 Cb -0.14 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1piv s PRO 210 CO 0.07 -1.91 1.36 -0.47 0.04 0.00 0.00 177.00 176.09 1piv s TYR 211 N -3.04 2.61 -0.19 0.56 5.04 -1.26 -4.77 117.35 116.30 1piv s TYR 211 Ca 0.62 0.82 -0.03 0.00 -2.44 0.00 0.00 57.07 56.05 1piv s TYR 211 Cb -0.16 -3.74 -0.01 0.00 0.35 0.00 0.00 41.96 38.40 1piv s TYR 211 CO 0.56 -2.08 -0.08 0.08 -1.34 0.00 0.00 175.55 172.69 1piv s VAL 212 N 4.07 3.24 0.14 3.14 1.01 -1.26 -5.06 120.40 125.69 1piv s VAL 212 Ca 0.59 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 1piv s VAL 212 Cb -0.22 -2.44 0.06 0.00 0.00 0.00 0.00 36.38 33.79 1piv s VAL 212 CO 0.21 0.46 0.81 0.21 0.00 0.00 0.00 175.10 176.79 1piv s ASN 213 N 1.09 -0.32 0.00 3.32 3.84 -1.26 -4.86 114.94 116.74 1piv s ASN 213 Ca 0.01 -0.27 0.29 0.00 0.21 0.00 0.00 52.86 53.10 1piv s ASN 213 Cb -0.15 0.54 1.72 0.00 -0.55 0.00 0.00 41.25 42.82 1piv s ASN 213 CO -0.01 -0.95 2.09 0.00 -2.79 0.00 0.00 177.10 175.44 1piv n ALA 214 N -0.39 2.65 -2.56 1.71 0.00 -1.26 -4.85 120.51 115.80 1piv n ALA 214 Ca -0.09 -0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.03 1piv n ALA 214 Cb 0.61 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 18.49 1piv n ALA 214 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1piv s LEU 215 N -1.93 2.37 0.42 0.00 1.43 -1.26 -5.05 118.68 114.65 1piv s LEU 215 Ca 0.43 -0.75 0.15 0.00 -1.03 0.00 0.00 54.13 52.94 1piv s LEU 215 Cb 0.20 -0.27 0.91 0.00 0.03 0.00 0.00 46.19 47.06 1piv s LEU 215 CO 0.33 -0.25 1.91 0.00 0.23 0.00 0.00 176.35 178.58 1piv h ALA 216 N 3.80 1.46 -2.60 4.21 0.00 -1.88 -3.45 119.26 120.79 1piv h ALA 216 Ca -0.37 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1piv h ALA 216 Cb 1.19 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 1piv h ALA 216 CO 0.50 0.34 -0.06 -1.50 0.00 0.00 0.00 179.25 178.53 1piv s ILE 217 N -4.32 0.05 0.34 0.00 2.07 -1.26 -4.90 121.20 113.18 1piv s ILE 217 Ca -0.03 -0.44 -0.07 0.00 -1.41 0.00 0.00 60.65 58.70 1piv s ILE 217 Cb 0.15 -1.02 0.03 0.00 0.13 0.00 0.00 42.46 41.74 1piv s ILE 217 CO 0.70 -0.24 0.57 -0.67 -1.91 0.00 0.00 174.94 173.38 1piv n ASP 218 N 0.26 -1.62 -4.59 4.50 -0.08 -1.26 -4.99 116.55 108.76 1piv n ASP 218 Ca -0.18 -2.62 -0.43 0.00 -1.51 0.00 0.00 54.79 50.05 1piv n ASP 218 Cb 0.61 2.84 -0.02 0.00 2.34 0.00 0.00 41.12 46.89 1piv n ASP 218 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1piv s SER 219 N -2.96 6.49 0.45 1.67 0.15 -1.26 -1.70 113.70 116.55 1piv s SER 219 Ca 0.22 0.47 0.11 0.00 0.70 0.00 0.00 55.95 57.44 1piv s SER 219 Cb -0.02 -2.55 1.02 0.00 -1.71 0.00 0.00 66.02 62.76 1piv s SER 219 CO 0.16 -1.37 2.09 0.24 1.20 0.00 0.00 173.24 175.56 1piv h MET 220 N 9.77 0.33 -0.30 5.44 2.86 -1.78 -1.63 114.93 129.62 1piv h MET 220 Ca -0.25 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.22 1piv h MET 220 Cb 1.07 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 1piv h MET 220 CO 1.13 0.22 -0.44 0.28 1.06 0.00 0.00 176.91 179.16 1piv h VAL 221 N 0.34 1.29 0.00 -2.22 2.07 -1.89 -3.28 116.25 112.56 1piv h VAL 221 Ca 0.10 -1.63 -0.22 0.00 0.82 0.00 0.00 66.70 65.77 1piv h VAL 221 Cb -0.02 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1piv h VAL 221 CO -0.02 0.53 -1.08 0.11 0.02 0.00 0.00 177.57 177.13 1piv h LYS 222 N 0.62 0.00 -3.62 1.57 1.57 -1.92 -3.47 116.57 111.32 1piv h LYS 222 Ca 0.04 -0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.49 1piv h LYS 222 Cb 1.00 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.97 1piv h LYS 222 CO 0.10 0.94 -0.74 -1.58 -0.57 0.00 0.00 179.45 177.60 1piv s HIS 223 N -2.70 0.19 -0.03 -1.35 5.04 -0.63 -5.10 115.29 110.71 1piv s HIS 223 Ca 0.00 0.06 -0.20 0.00 -1.54 0.00 0.00 55.06 53.39 1piv s HIS 223 Cb 0.10 -0.35 -0.05 0.00 0.04 0.00 0.00 32.58 32.32 1piv s HIS 223 CO 0.82 -0.12 0.56 -0.80 -2.34 0.00 0.00 174.74 172.86 1piv s ASN 224 N 1.12 6.90 -0.11 9.88 0.01 -1.26 -4.52 114.94 126.97 1piv s ASN 224 Ca -0.08 1.08 -0.13 0.00 -0.71 0.00 0.00 52.86 53.01 1piv s ASN 224 Cb -0.13 -2.34 -0.27 0.00 0.41 0.00 0.00 41.25 38.92 1piv s ASN 224 CO -0.02 0.09 0.50 0.78 -1.51 0.00 0.00 177.10 176.93 1piv h ASN 225 N 5.83 0.41 -4.30 -1.22 2.35 -1.33 -3.42 115.58 113.90 1piv h ASN 225 Ca -0.45 -0.87 -0.53 0.00 -0.55 0.00 0.00 56.30 53.90 1piv h ASN 225 Cb 1.20 -0.13 -0.27 0.00 0.05 0.00 0.00 38.32 39.17 1piv h ASN 225 CO 0.70 1.71 -0.83 0.26 -1.65 0.00 0.00 177.43 177.63 1piv s TRP 226 N -2.51 1.58 -0.10 1.19 0.52 -1.13 -0.79 118.94 117.69 1piv s TRP 226 Ca -0.21 -0.34 0.01 0.00 0.02 0.00 0.00 56.10 55.58 1piv s TRP 226 Cb 0.05 -0.96 -0.02 0.00 -1.15 0.00 0.00 33.47 31.39 1piv s TRP 226 CO 0.77 0.04 -0.11 0.20 0.02 0.00 0.00 176.95 177.87 1piv s GLY 227 N -0.90 1.60 -0.30 0.98 0.00 0.30 -0.20 107.32 108.80 1piv s GLY 227 Ca 0.06 -0.90 -0.11 0.00 0.00 0.00 0.00 44.72 43.76 1piv s GLY 227 CO 0.01 -0.43 0.19 -0.42 0.00 0.00 0.00 173.10 172.45 1piv s ILE 228 N -0.19 5.09 -0.18 0.90 -1.09 0.24 -0.69 121.20 125.28 1piv s ILE 228 Ca 0.01 -0.10 -0.01 0.00 -2.23 0.00 0.00 60.65 58.32 1piv s ILE 228 Cb -0.13 -3.52 -0.00 0.00 -1.58 0.00 0.00 42.46 37.23 1piv s ILE 228 CO 0.03 0.13 -0.13 0.00 -1.23 0.00 0.00 174.94 173.75 1piv s ALA 229 N 1.71 2.57 -0.31 9.38 0.00 -0.03 -0.91 121.76 134.18 1piv s ALA 229 Ca 0.06 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 1piv s ALA 229 Cb -0.17 -1.37 0.04 0.00 0.00 0.00 0.00 23.12 21.62 1piv s ALA 229 CO 0.09 -0.21 0.03 0.42 0.00 0.00 0.00 175.76 176.10 1piv s ILE 230 N 1.10 3.30 0.03 0.00 1.01 0.20 -0.67 121.20 126.17 1piv s ILE 230 Ca 0.00 -1.23 0.09 0.00 0.00 0.00 0.00 60.65 59.51 1piv s ILE 230 Cb -0.14 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1piv s ILE 230 CO -0.04 -0.10 -0.25 -0.76 0.00 0.00 0.00 174.94 173.80 1piv s LEU 231 N 1.32 2.22 -0.77 2.97 1.02 -0.56 -0.98 118.68 123.89 1piv s LEU 231 Ca -0.03 -0.54 -0.26 0.00 0.02 0.00 0.00 54.13 53.32 1piv s LEU 231 Cb -0.19 -1.33 0.00 0.00 0.02 0.00 0.00 46.19 44.69 1piv s LEU 231 CO 0.00 0.27 1.61 -2.16 0.02 0.00 0.00 176.35 176.09 1piv s PRO 232 N -1.14 2.97 0.45 1.29 0.04 -1.26 -0.48 135.00 136.86 1piv s PRO 232 Ca 0.12 -0.12 0.17 0.00 0.04 0.00 0.00 61.00 61.20 1piv s PRO 232 Cb -0.10 -4.60 1.04 0.00 0.04 0.00 0.00 34.50 30.88 1piv s PRO 232 CO 0.02 -2.55 1.98 -0.07 0.04 0.00 0.00 177.00 176.41 1piv h LEU 233 N 14.90 0.00 -7.48 -3.56 3.38 -0.77 -3.40 115.31 118.38 1piv h LEU 233 Ca -0.13 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.53 1piv h LEU 233 Cb 1.07 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.47 1piv h LEU 233 CO 1.27 0.20 -0.73 -0.55 0.09 0.00 0.00 178.44 178.73 1piv s SER 234 N -6.83 0.29 0.58 -0.43 0.15 -0.78 -4.95 113.70 101.72 1piv s SER 234 Ca -0.04 0.05 -0.20 0.00 0.70 0.00 0.00 55.95 56.46 1piv s SER 234 Cb 0.15 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.33 1piv s SER 234 CO 0.68 -0.15 1.24 -2.16 1.20 0.00 0.00 173.24 174.05 1piv s PRO 235 N 1.29 3.02 0.27 5.44 0.04 -1.26 -1.21 135.00 142.58 1piv s PRO 235 Ca -0.06 1.93 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 1piv s PRO 235 Cb -0.13 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 1piv s PRO 235 CO -0.03 -1.20 1.34 -1.17 0.04 0.00 0.00 177.00 175.98 1piv s LEU 236 N -3.92 4.42 -0.05 -3.56 2.96 -1.26 -4.06 118.68 113.21 1piv s LEU 236 Ca 0.76 2.60 -0.17 0.00 -0.22 0.00 0.00 54.13 57.09 1piv s LEU 236 Cb -0.33 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 42.76 1piv s LEU 236 CO 0.37 -0.57 0.40 -0.62 -1.32 0.00 0.00 176.35 174.60 1piv s ASP 237 N -0.04 -0.32 -0.20 3.68 -1.08 -0.16 -4.61 116.67 113.93 1piv s ASP 237 Ca 0.54 0.36 -0.13 0.00 -0.52 0.00 0.00 52.55 52.80 1piv s ASP 237 Cb -0.39 0.47 0.06 0.00 -1.46 0.00 0.00 42.92 41.60 1piv s ASP 237 CO 0.46 -0.41 0.49 0.12 0.52 0.00 0.00 175.17 176.35 1piv s PHE 238 N -0.97 -0.69 0.00 -5.34 5.36 -1.26 -0.23 117.98 114.85 1piv s PHE 238 Ca -0.10 1.48 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 1piv s PHE 238 Cb -0.04 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.97 1piv s PHE 238 CO 0.04 -0.36 0.00 0.00 -1.46 0.00 0.00 175.22 173.44 1piv n ALA 239 N 3.93 0.00 -0.50 11.12 0.00 -1.26 -1.58 120.51 132.22 1piv n ALA 239 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1piv n ALA 239 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1piv n ALA 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1piv n GLN 240 N 0.00 0.97 -2.17 0.00 3.00 -1.26 -5.04 117.38 112.88 1piv n GLN 240 Ca 0.00 -0.80 -0.42 0.00 -0.01 0.00 0.00 57.00 55.77 1piv n GLN 240 Cb 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 30.24 29.47 1piv n GLN 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1piv s ASP 241 N -0.37 5.93 0.63 1.08 1.11 -0.61 -4.86 116.67 119.57 1piv s ASP 241 Ca 0.00 0.81 0.33 0.00 0.18 0.00 0.00 52.55 53.88 1piv s ASP 241 Cb 0.00 -2.53 1.88 0.00 1.07 0.00 0.00 42.92 43.34 1piv s ASP 241 CO 0.00 -1.77 2.15 0.77 1.18 0.00 0.00 175.17 177.51 1piv h SER 242 N 12.39 0.00 -1.70 0.27 4.64 -1.96 -3.25 113.55 123.94 1piv h SER 242 Ca -0.29 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.37 1piv h SER 242 Cb 1.14 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.86 1piv h SER 242 CO 1.11 0.00 -0.11 -1.54 -0.87 0.00 0.00 176.83 175.42 1piv n SER 243 N -3.44 5.68 -4.77 4.97 3.41 -1.26 -4.84 113.62 113.38 1piv n SER 243 Ca -0.01 -3.76 -0.38 0.00 -0.26 0.00 0.00 58.87 54.46 1piv n SER 243 Cb 0.25 -0.67 -0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1piv n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1piv s VAL 244 N -5.36 2.82 -0.15 -3.33 1.01 -1.23 -5.00 120.40 109.15 1piv s VAL 244 Ca 0.49 0.65 -0.05 0.00 0.00 0.00 0.00 61.98 63.07 1piv s VAL 244 Cb 0.41 -3.35 0.08 0.00 0.00 0.00 0.00 36.38 33.52 1piv s VAL 244 CO -0.27 0.03 0.28 -0.70 0.00 0.00 0.00 175.10 174.43 1piv s GLU 245 N -2.58 0.18 0.11 2.72 2.12 -1.26 -3.87 118.70 116.12 1piv s GLU 245 Ca 0.63 0.67 0.10 0.00 0.36 0.00 0.00 54.97 56.72 1piv s GLU 245 Cb -0.33 -0.22 -0.04 0.00 0.26 0.00 0.00 34.13 33.80 1piv s GLU 245 CO 0.41 -0.37 -0.25 0.96 -0.54 0.00 0.00 175.26 175.47 1piv s ILE 246 N 2.43 2.07 0.44 -3.70 -4.36 -0.30 -4.94 121.20 112.83 1piv s ILE 246 Ca 0.03 -1.64 -0.22 0.00 -0.26 0.00 0.00 60.65 58.56 1piv s ILE 246 Cb -0.13 -1.83 -0.09 0.00 1.25 0.00 0.00 42.46 41.66 1piv s ILE 246 CO -0.10 0.08 1.03 -2.16 0.24 0.00 0.00 174.94 174.03 1piv s PRO 247 N -1.90 4.02 -0.18 0.37 0.04 -1.26 -0.31 135.00 135.77 1piv s PRO 247 Ca 0.11 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.57 1piv s PRO 247 Cb -0.10 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.15 1piv s PRO 247 CO 0.05 -0.25 -0.17 0.42 0.04 0.00 0.00 177.00 177.09 1piv s ILE 248 N -1.84 1.91 -0.17 0.56 1.01 0.14 -4.53 121.20 118.27 1piv s ILE 248 Ca 0.62 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 1piv s ILE 248 Cb -0.18 -1.78 -0.00 0.00 0.01 0.00 0.00 42.46 40.50 1piv s ILE 248 CO 0.23 0.44 -0.12 -0.89 0.00 0.00 0.00 174.94 174.60 1piv s THR 249 N 1.34 2.89 -0.32 2.92 2.01 -0.00 -2.01 115.64 122.46 1piv s THR 249 Ca 0.03 -0.68 -0.14 0.00 0.31 0.00 0.00 61.69 61.22 1piv s THR 249 Cb -0.14 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 1piv s THR 249 CO -0.11 0.49 0.30 -0.69 -0.69 0.00 0.00 174.62 173.91 1piv s VAL 250 N 0.98 5.23 -0.19 3.82 1.01 -1.26 -0.39 120.40 129.60 1piv s VAL 250 Ca -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1piv s VAL 250 Cb -0.15 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1piv s VAL 250 CO -0.02 0.03 -0.10 -0.89 0.00 0.00 0.00 175.10 174.12 1piv s THR 251 N 1.89 3.03 -0.03 3.92 2.01 -0.57 -1.43 115.64 124.46 1piv s THR 251 Ca 0.10 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.54 1piv s THR 251 Cb -0.17 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 1piv s THR 251 CO 0.11 0.47 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.65 1piv s ILE 252 N 1.12 1.88 -0.20 1.82 1.01 0.06 -0.83 121.20 126.07 1piv s ILE 252 Ca 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1piv s ILE 252 Cb -0.14 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.77 1piv s ILE 252 CO -0.03 0.53 -0.16 0.00 0.00 0.00 0.00 174.94 175.29 1piv s ALA 253 N -0.42 2.45 0.46 9.38 0.00 -0.19 -0.74 121.76 132.69 1piv s ALA 253 Ca 0.05 -1.25 -0.25 0.00 0.00 0.00 0.00 51.96 50.51 1piv s ALA 253 Cb -0.10 -1.33 -0.08 0.00 0.00 0.00 0.00 23.12 21.61 1piv s ALA 253 CO 0.00 -0.44 1.43 -2.30 0.00 0.00 0.00 175.76 174.46 1piv n PRO 254 N 4.64 2.22 -4.32 0.00 -0.02 -1.26 -0.79 135.00 135.47 1piv n PRO 254 Ca -0.20 0.79 -0.18 0.00 -2.02 0.00 0.00 63.50 61.89 1piv n PRO 254 Cb 0.50 -2.63 -0.14 0.00 -0.02 0.00 0.00 33.50 31.20 1piv n PRO 254 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1piv s MET 255 N -2.49 0.70 -1.29 -0.52 -1.94 0.82 -4.04 119.30 110.55 1piv s MET 255 Ca 0.62 -0.39 -0.12 0.00 -1.71 0.00 0.00 55.69 54.09 1piv s MET 255 Cb -0.44 -0.67 0.11 0.00 2.01 0.00 0.00 34.83 35.84 1piv s MET 255 CO 0.57 0.18 0.49 0.00 -0.01 0.00 0.00 175.02 176.24 1piv s SER 257 N -2.80 6.54 0.04 0.00 0.01 -1.26 -4.67 113.70 111.55 1piv s SER 257 Ca 0.48 2.51 0.03 0.00 1.31 0.00 0.00 55.95 60.28 1piv s SER 257 Cb -0.27 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.40 1piv s SER 257 CO 0.59 -0.99 -0.08 -1.83 0.41 0.00 0.00 173.24 171.34 1piv s GLU 258 N 3.95 0.57 -0.01 12.44 -1.05 -0.55 -4.31 118.70 129.73 1piv s GLU 258 Ca 0.81 -0.67 0.03 0.00 -0.15 0.00 0.00 54.97 54.99 1piv s GLU 258 Cb -0.39 -0.41 -0.01 0.00 -0.44 0.00 0.00 34.13 32.88 1piv s GLU 258 CO 0.36 0.09 -0.11 -0.06 0.95 0.00 0.00 175.26 176.49 1piv s PHE 259 N -1.10 0.99 0.20 4.83 0.40 -0.55 -1.20 117.98 121.56 1piv s PHE 259 Ca -0.06 -0.20 0.08 0.00 -0.60 0.00 0.00 56.93 56.15 1piv s PHE 259 Cb -0.08 -0.65 -0.05 0.00 0.51 0.00 0.00 43.02 42.75 1piv s PHE 259 CO 0.01 -0.04 -0.15 -0.80 0.70 0.00 0.00 175.22 174.93 1piv s ASN 260 N -0.15 2.67 -0.30 1.36 -0.87 -0.24 -0.92 114.94 116.50 1piv s ASN 260 Ca 0.02 -1.00 -0.01 0.00 -1.57 0.00 0.00 52.86 50.30 1piv s ASN 260 Cb -0.05 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.25 41.01 1piv s ASN 260 CO -0.00 -0.13 0.26 0.61 -2.57 0.00 0.00 177.10 175.26 1piv n GLY 261 N -0.30 0.33 3.72 0.66 0.00 -1.26 -0.81 105.19 107.53 1piv n GLY 261 Ca -0.08 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1piv n GLY 261 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1piv s LEU 262 N -3.61 4.43 0.00 0.99 2.96 -1.26 -0.85 118.68 121.33 1piv s LEU 262 Ca 0.11 2.00 0.00 0.00 -0.22 0.00 0.00 54.13 56.02 1piv s LEU 262 Cb -0.01 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1piv s LEU 262 CO 0.21 -0.31 0.00 -2.11 -1.32 0.00 0.00 176.35 172.81 1piv n ARG 263 N 3.15 0.00 -2.15 1.98 -4.01 -0.89 -4.99 116.66 109.76 1piv n ARG 263 Ca 0.05 0.00 -0.34 0.00 -1.04 0.00 0.00 57.85 56.53 1piv n ARG 263 Cb 0.47 0.00 0.01 0.00 -3.04 0.00 0.00 32.46 29.89 1piv n ARG 263 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1piv s ASN 264 N 2.00 5.76 0.19 2.89 4.22 -1.26 -4.79 114.94 123.95 1piv s ASN 264 Ca 0.00 1.96 -0.31 0.00 -2.14 0.00 0.00 52.86 52.38 1piv s ASN 264 Cb 0.00 -2.55 -0.09 0.00 1.28 0.00 0.00 41.25 39.88 1piv s ASN 264 CO 0.00 -1.19 1.45 0.54 -2.04 0.00 0.00 177.10 175.86 1piv s VAL 265 N -2.16 2.84 -0.13 3.54 0.11 -1.26 -4.79 120.40 118.55 1piv s VAL 265 Ca 0.67 0.66 -0.29 0.00 -2.93 0.00 0.00 61.98 60.09 1piv s VAL 265 Cb -0.19 -3.42 -0.02 0.00 -1.53 0.00 0.00 36.38 31.22 1piv s VAL 265 CO 0.32 0.08 1.28 -0.89 -3.33 0.00 0.00 175.10 172.56 1piv s THR 266 N 0.52 4.21 -0.66 5.04 2.01 0.41 -4.99 115.64 122.19 1piv s THR 266 Ca 0.63 1.49 -0.02 0.00 0.31 0.00 0.00 61.69 64.09 1piv s THR 266 Cb -0.41 -3.96 0.17 0.00 0.01 0.00 0.00 72.50 68.31 1piv s THR 266 CO 0.37 -0.10 0.47 0.00 -0.69 0.00 0.00 174.62 174.67 1piv s ALA 267 N 3.26 3.65 0.51 7.40 0.00 -1.26 -4.87 121.76 130.46 1piv s ALA 267 Ca 0.56 -3.36 -0.21 0.00 0.00 0.00 0.00 51.96 48.95 1piv s ALA 267 Cb -0.23 -2.66 -0.06 0.00 0.00 0.00 0.00 23.12 20.17 1piv s ALA 267 CO 0.17 -2.12 1.20 -1.25 0.00 0.00 0.00 175.76 173.77 1piv s PRO 268 N -0.27 3.43 -0.56 0.00 0.04 -1.26 -4.98 135.00 131.41 1piv s PRO 268 Ca 0.18 1.84 -0.21 0.00 0.04 0.00 0.00 61.00 62.85 1piv s PRO 268 Cb -0.19 -2.22 0.06 0.00 0.04 0.00 0.00 34.50 32.19 1piv s PRO 268 CO -0.04 -0.84 0.79 0.21 0.04 0.00 0.00 177.00 177.16 1piv s LYS 269 N -2.95 3.18 -0.23 4.56 2.20 -1.26 -4.91 119.74 120.33 1piv s LYS 269 Ca 0.69 -0.73 0.07 0.00 -0.36 0.00 0.00 55.97 55.65 1piv s LYS 269 Cb -0.30 -4.13 0.55 0.00 -1.51 0.00 0.00 37.83 32.45 1piv s LYS 269 CO 0.35 -1.44 1.50 1.19 -0.36 0.00 0.00 175.35 176.59 1piv n PHE 270 N 6.86 1.77 0.25 4.03 3.72 -1.26 -4.72 117.46 128.11 1piv n PHE 270 Ca -0.04 -0.86 0.03 0.00 -0.05 0.00 0.00 57.45 56.53 1piv n PHE 270 Cb 0.46 -0.53 0.03 0.00 -0.94 0.00 0.00 39.48 38.49 1piv n PHE 270 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75