#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wis n SER 2 N 0.00 0.00 -4.54 1.61 7.64 -1.26 -4.69 113.62 112.38 1wis n SER 2 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1wis n SER 2 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1wis n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wis s SER 3 N 0.00 3.69 -0.18 6.43 1.04 -1.26 -5.07 113.70 118.35 1wis s SER 3 Ca 0.00 -1.20 -0.37 0.00 0.48 0.00 0.00 55.95 54.86 1wis s SER 3 Cb 0.00 -0.34 -0.14 0.00 0.10 0.00 0.00 66.02 65.64 1wis s SER 3 CO 0.00 -0.21 1.79 0.61 0.98 0.00 0.00 173.24 176.41 1wis n GLY 4 N -0.79 1.11 3.47 7.32 0.00 -1.26 -4.94 105.19 110.10 1wis n GLY 4 Ca -0.05 0.89 -0.07 0.00 0.00 0.00 0.00 46.02 46.79 1wis n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wis s SER 5 N 3.64 -0.73 -0.49 1.61 0.01 -1.26 -5.04 113.70 111.43 1wis s SER 5 Ca 0.95 1.27 -0.09 0.00 1.31 0.00 0.00 55.95 59.39 1wis s SER 5 Cb -0.90 1.48 0.12 0.00 0.21 0.00 0.00 66.02 66.93 1wis s SER 5 CO 0.59 -0.22 0.35 -0.55 0.41 0.00 0.00 173.24 173.82 1wis s SER 6 N 2.15 5.69 0.00 2.44 0.15 -1.26 -4.82 113.70 118.05 1wis s SER 6 Ca -0.07 -1.99 0.00 0.00 0.70 0.00 0.00 55.95 54.59 1wis s SER 6 Cb -0.09 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 1wis s SER 6 CO -0.16 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.22 1wis n GLY 7 N 4.80 0.55 3.31 9.45 0.00 -1.26 -5.11 105.19 116.93 1wis n GLY 7 Ca -0.06 -2.27 -0.14 0.00 0.00 0.00 0.00 46.02 43.54 1wis n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wis s THR 8 N -0.55 0.03 0.01 2.61 -1.32 -1.26 -5.08 115.64 110.09 1wis s THR 8 Ca 0.00 -0.27 -0.02 0.00 -1.21 0.00 0.00 61.69 60.19 1wis s THR 8 Cb 0.00 -0.68 -0.01 0.00 -1.51 0.00 0.00 72.50 70.31 1wis s THR 8 CO 0.00 -0.15 -0.04 -0.38 -2.21 0.00 0.00 174.62 171.84 1wis n ILE 9 N 1.63 0.63 -2.34 5.08 5.41 -1.26 -5.12 119.36 123.38 1wis n ILE 9 Ca -0.19 0.23 -0.02 0.00 1.00 0.00 0.00 62.75 63.78 1wis n ILE 9 Cb 0.56 -1.45 -0.01 0.00 -0.71 0.00 0.00 39.64 38.03 1wis n ILE 9 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1wis n SER 10 N -3.10 -6.57 -4.54 4.38 3.41 -1.26 -4.84 113.62 101.10 1wis n SER 10 Ca -0.02 1.61 -0.44 0.00 -0.26 0.00 0.00 58.87 59.76 1wis n SER 10 Cb 0.07 -4.97 -0.01 0.00 -0.26 0.00 0.00 64.21 59.03 1wis n SER 10 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wis n SER 11 N 1.68 0.61 0.00 4.04 2.88 -1.26 -4.76 113.62 116.82 1wis n SER 11 Ca -0.12 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1wis n SER 11 Cb 0.18 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 1wis n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wis n GLY 12 N 1.41 2.05 3.41 0.46 0.00 -1.26 -5.11 105.19 106.16 1wis n GLY 12 Ca 0.11 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 1wis n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wis s VAL 13 N 0.00 3.62 0.45 1.61 0.11 -1.26 -5.10 120.40 119.82 1wis s VAL 13 Ca 0.00 -0.44 -0.22 0.00 -2.93 0.00 0.00 61.98 58.40 1wis s VAL 13 Cb 0.00 -2.61 -0.09 0.00 -1.53 0.00 0.00 36.38 32.16 1wis s VAL 13 CO 0.00 0.46 1.04 -2.16 -3.33 0.00 0.00 175.10 171.12 1wis s PRO 14 N 0.85 3.96 0.94 1.54 0.04 -1.26 -5.05 135.00 136.02 1wis s PRO 14 Ca -0.01 1.43 -0.13 0.00 0.04 0.00 0.00 61.00 62.33 1wis s PRO 14 Cb -0.15 -2.29 0.16 0.00 0.04 0.00 0.00 34.50 32.26 1wis s PRO 14 CO 0.01 -0.31 1.15 -1.25 0.04 0.00 0.00 177.00 176.65 1wis s PRO 15 N -2.91 0.89 0.42 0.56 0.04 -1.26 -5.09 135.00 127.64 1wis s PRO 15 Ca 0.63 0.20 0.03 0.00 0.04 0.00 0.00 61.00 61.90 1wis s PRO 15 Cb -0.19 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1wis s PRO 15 CO 0.23 -2.35 0.09 -1.21 0.04 0.00 0.00 177.00 173.80 1wis s GLU 16 N -5.34 1.95 0.53 4.56 2.02 -1.22 -4.91 118.70 116.28 1wis s GLU 16 Ca 0.65 -2.19 -0.18 0.00 0.02 0.00 0.00 54.97 53.28 1wis s GLU 16 Cb -0.13 -0.88 -0.07 0.00 0.10 0.00 0.00 34.13 33.15 1wis s GLU 16 CO 0.53 -0.40 1.02 -0.51 0.02 0.00 0.00 175.26 175.93 1wis s LEU 17 N -3.65 3.66 0.00 1.80 1.43 -1.26 -4.64 118.68 116.01 1wis s LEU 17 Ca 0.22 1.76 -0.04 0.00 -1.03 0.00 0.00 54.13 55.05 1wis s LEU 17 Cb 0.03 -4.53 0.05 0.00 0.03 0.00 0.00 46.19 41.77 1wis s LEU 17 CO 0.12 -0.84 0.24 -0.81 0.23 0.00 0.00 176.35 175.29 1wis n PRO 18 N -1.52 -0.83 -4.46 1.29 -0.04 -1.21 -4.46 135.00 123.77 1wis n PRO 18 Ca 0.08 -0.37 -0.23 0.00 -0.04 0.00 0.00 63.50 62.94 1wis n PRO 18 Cb 0.53 -0.29 -0.10 0.00 -0.04 0.00 0.00 33.50 33.60 1wis n PRO 18 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1wis s GLY 19 N -3.23 1.90 0.01 0.55 0.00 0.50 -4.79 107.32 102.26 1wis s GLY 19 Ca 0.14 -1.93 -0.30 0.00 0.00 0.00 0.00 44.72 42.63 1wis s GLY 19 CO 0.10 -1.91 1.19 2.56 0.00 0.00 0.00 173.10 175.05 1wis s PRO 20 N -3.65 4.41 0.42 2.90 0.04 -1.26 -4.49 135.00 133.37 1wis s PRO 20 Ca 0.30 1.71 -0.23 0.00 0.04 0.00 0.00 61.00 62.82 1wis s PRO 20 Cb 0.02 -3.44 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 1wis s PRO 20 CO 0.13 -0.32 1.05 -1.25 0.04 0.00 0.00 177.00 176.65 1wis s PRO 21 N 1.51 4.09 0.31 0.56 0.04 -1.26 -4.40 135.00 135.85 1wis s PRO 21 Ca 0.57 1.49 0.02 0.00 0.04 0.00 0.00 61.00 63.12 1wis s PRO 21 Cb -0.27 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 31.83 1wis s PRO 21 CO 0.26 -0.20 0.14 0.25 0.04 0.00 0.00 177.00 177.49 1wis n THR 22 N -0.24 0.00 -3.06 1.26 -2.24 -1.07 -4.73 114.28 104.21 1wis n THR 22 Ca 0.06 -1.32 -0.22 0.00 -2.27 0.00 0.00 64.05 60.30 1wis n THR 22 Cb 0.50 -0.01 0.04 0.00 -2.10 0.00 0.00 70.33 68.76 1wis n THR 22 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1wis n ASN 23 N -1.60 -6.01 -4.73 3.42 4.13 -1.26 -1.97 115.26 107.24 1wis n ASN 23 Ca -0.06 -0.31 -0.42 0.00 1.68 0.00 0.00 54.58 55.48 1wis n ASN 23 Cb 0.37 -4.81 -0.03 0.00 -1.54 0.00 0.00 39.78 33.77 1wis n ASN 23 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1wis s LEU 24 N -6.51 4.41 -0.29 3.41 2.96 -1.26 -4.08 118.68 117.33 1wis s LEU 24 Ca 0.32 2.20 -0.25 0.00 -0.22 0.00 0.00 54.13 56.19 1wis s LEU 24 Cb -0.14 -3.60 0.15 0.00 0.50 0.00 0.00 46.19 43.10 1wis s LEU 24 CO 0.40 -0.47 1.20 -0.83 -1.32 0.00 0.00 176.35 175.34 1wis s GLY 25 N 0.59 0.07 -0.16 7.98 0.00 -1.14 -4.96 107.32 109.70 1wis s GLY 25 Ca 0.57 3.05 -0.04 0.00 0.00 0.00 0.00 44.72 48.29 1wis s GLY 25 CO 0.34 1.90 -0.03 -0.42 0.00 0.00 0.00 173.10 174.89 1wis s ILE 26 N 0.18 3.97 0.33 0.90 1.09 -1.26 -0.93 121.20 125.48 1wis s ILE 26 Ca 0.05 -0.33 0.03 0.00 -1.10 0.00 0.00 60.65 59.30 1wis s ILE 26 Cb -0.05 -2.74 -0.05 0.00 -1.06 0.00 0.00 42.46 38.55 1wis s ILE 26 CO -0.10 0.49 0.08 -0.94 -0.10 0.00 0.00 174.94 174.37 1wis s SER 27 N 0.36 2.23 -1.60 3.58 1.04 -0.70 -4.80 113.70 113.81 1wis s SER 27 Ca -0.04 -1.43 -0.13 0.00 0.48 0.00 0.00 55.95 54.83 1wis s SER 27 Cb -0.14 0.07 0.11 0.00 0.10 0.00 0.00 66.02 66.15 1wis s SER 27 CO 0.03 -0.69 0.74 0.59 0.98 0.00 0.00 173.24 174.89 1wis n ASN 28 N -0.75 -2.87 -4.58 7.02 3.02 -1.26 -2.48 115.26 113.36 1wis n ASN 28 Ca -0.03 -0.96 -0.46 0.00 -0.03 0.00 0.00 54.58 53.10 1wis n ASN 28 Cb 0.66 -3.06 -0.05 0.00 -0.61 0.00 0.00 39.78 36.73 1wis n ASN 28 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1wis n ILE 29 N -4.45 0.39 -1.58 2.41 5.41 -1.26 -4.37 119.36 115.90 1wis n ILE 29 Ca -0.03 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.42 1wis n ILE 29 Cb 0.55 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 1wis n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wis n GLY 30 N 5.60 0.33 0.07 7.39 0.00 0.21 -4.62 105.19 114.18 1wis n GLY 30 Ca 0.31 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 1wis n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wis h PRO 31 N 0.00 -0.03 0.00 1.61 0.13 -1.85 -2.21 132.00 129.66 1wis h PRO 31 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wis h PRO 31 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1wis h PRO 31 CO 0.00 0.66 -0.12 0.54 -0.23 0.00 0.00 178.00 178.85 1wis n ARG 32 N -4.75 1.12 -3.73 0.86 1.74 -1.26 -3.48 116.66 107.15 1wis n ARG 32 Ca -0.09 -1.42 -0.13 0.00 -0.77 0.00 0.00 57.85 55.44 1wis n ARG 32 Cb 0.35 -0.89 -0.10 0.00 -1.02 0.00 0.00 32.46 30.79 1wis n ARG 32 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wis s SER 33 N -1.25 -0.42 0.23 0.55 1.04 -1.26 -1.45 113.70 111.14 1wis s SER 33 Ca 0.08 0.79 0.01 0.00 0.48 0.00 0.00 55.95 57.32 1wis s SER 33 Cb 0.07 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.94 1wis s SER 33 CO 0.01 -0.14 0.15 0.68 0.98 0.00 0.00 173.24 174.91 1wis s VAL 34 N 0.39 0.09 -0.31 5.02 -7.23 -0.94 0.67 120.40 118.09 1wis s VAL 34 Ca -0.02 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.11 1wis s VAL 34 Cb -0.04 -2.52 0.04 0.00 0.56 0.00 0.00 36.38 34.42 1wis s VAL 34 CO -0.02 0.00 0.05 -0.89 -0.31 0.00 0.00 175.10 173.94 1wis s THR 35 N -3.97 3.47 -0.37 5.32 2.01 -1.03 0.85 115.64 121.92 1wis s THR 35 Ca 0.39 -1.14 -0.17 0.00 0.31 0.00 0.00 61.69 61.08 1wis s THR 35 Cb 0.06 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.64 1wis s THR 35 CO 0.15 -0.09 0.43 -0.22 -0.69 0.00 0.00 174.62 174.20 1wis s LEU 36 N 1.36 4.54 0.22 4.42 0.20 -0.73 -1.72 118.68 126.97 1wis s LEU 36 Ca -0.02 -0.31 0.01 0.00 0.69 0.00 0.00 54.13 54.50 1wis s LEU 36 Cb -0.19 -2.42 -0.04 0.00 -0.43 0.00 0.00 46.19 43.11 1wis s LEU 36 CO 0.01 -0.45 0.39 -1.10 -0.29 0.00 0.00 176.35 174.90 1wis s GLN 37 N 2.16 3.49 0.04 1.98 -0.21 -0.11 -2.89 119.66 124.12 1wis s GLN 37 Ca 0.14 -0.46 -0.16 0.00 0.02 0.00 0.00 55.36 54.90 1wis s GLN 37 Cb -0.16 -2.85 0.05 0.00 1.00 0.00 0.00 33.01 31.05 1wis s GLN 37 CO 0.13 0.39 0.73 1.97 -2.12 0.00 0.00 175.29 176.39 1wis n PHE 38 N -0.93 -0.61 -3.72 0.91 1.16 -0.95 -2.86 117.46 110.45 1wis n PHE 38 Ca -0.06 -0.59 -0.12 0.00 -1.87 0.00 0.00 57.45 54.81 1wis n PHE 38 Cb 0.55 0.28 -0.13 0.00 -1.61 0.00 0.00 39.48 38.57 1wis n PHE 38 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1wis s ARG 39 N -2.02 0.22 -0.59 3.97 0.52 -0.83 -4.67 118.95 115.54 1wis s ARG 39 Ca 0.17 0.56 -0.27 0.00 -0.52 0.00 0.00 55.73 55.67 1wis s ARG 39 Cb -0.01 -0.11 0.01 0.00 0.52 0.00 0.00 34.95 35.36 1wis s ARG 39 CO 0.01 -0.17 1.52 -1.25 0.02 0.00 0.00 175.30 175.43 1wis s PRO 40 N 1.32 3.12 0.00 3.54 0.04 -1.26 -2.59 135.00 139.17 1wis s PRO 40 Ca -0.09 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1wis s PRO 40 Cb -0.10 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1wis s PRO 40 CO -0.09 -2.16 0.85 0.41 0.04 0.00 0.00 177.00 176.05 1wis n GLY 41 N 5.40 -2.21 2.76 0.56 0.00 -1.26 -4.74 105.19 105.69 1wis n GLY 41 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1wis n GLY 41 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wis s TYR 42 N -2.67 1.04 0.10 1.61 5.04 -1.26 -4.98 117.35 116.23 1wis s TYR 42 Ca 0.00 -0.76 -0.17 0.00 -2.44 0.00 0.00 57.07 53.70 1wis s TYR 42 Cb 0.00 -1.02 -0.06 0.00 0.35 0.00 0.00 41.96 41.23 1wis s TYR 42 CO 0.00 -0.56 1.51 -0.44 -1.34 0.00 0.00 175.55 174.72 1wis h ASP 43 N 8.24 0.56 0.00 4.32 3.32 -1.90 1.45 116.42 132.41 1wis h ASP 43 Ca -0.18 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1wis h ASP 43 Cb 1.12 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1wis h ASP 43 CO 0.33 0.77 0.00 0.61 -1.72 0.00 0.00 179.24 179.23 1wis n GLY 44 N -0.23 1.77 2.31 2.75 0.00 -1.26 -3.30 105.19 107.23 1wis n GLY 44 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1wis n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wis n LYS 45 N -0.47 -1.05 -0.82 1.61 5.02 -1.26 -3.46 118.16 117.74 1wis n LYS 45 Ca 0.00 0.79 -0.01 0.00 -2.02 0.00 0.00 58.31 57.07 1wis n LYS 45 Cb 0.00 -4.99 -0.01 0.00 -0.02 0.00 0.00 35.03 30.01 1wis n LYS 45 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1wis n THR 46 N -3.48 0.00 -0.73 -0.18 5.66 -1.26 -4.96 114.28 109.33 1wis n THR 46 Ca -0.15 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 1wis n THR 46 Cb 0.56 0.44 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 1wis n THR 46 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1wis n SER 47 N 0.10 -0.71 -4.57 1.09 7.64 -1.26 -4.73 113.62 111.18 1wis n SER 47 Ca -0.06 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.52 1wis n SER 47 Cb 0.73 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.82 1wis n SER 47 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wis s ILE 48 N 0.00 3.36 -0.08 0.44 -1.09 -1.26 -4.74 121.20 117.83 1wis s ILE 48 Ca 0.00 -1.14 0.19 0.00 -2.23 0.00 0.00 60.65 57.47 1wis s ILE 48 Cb 0.00 -2.53 -0.29 0.00 -1.58 0.00 0.00 42.46 38.06 1wis s ILE 48 CO 0.00 0.21 0.32 -1.54 -1.23 0.00 0.00 174.94 172.70 1wis n SER 49 N 1.01 0.31 -3.62 3.58 3.41 0.52 -4.54 113.62 114.28 1wis n SER 49 Ca -0.14 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.39 1wis n SER 49 Cb 0.52 1.62 -0.06 0.00 -0.26 0.00 0.00 64.21 66.03 1wis n SER 49 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1wis s ARG 50 N -3.11 0.41 -0.25 4.33 3.52 -1.06 -0.30 118.95 122.50 1wis s ARG 50 Ca -0.08 0.29 -0.07 0.00 -0.13 0.00 0.00 55.73 55.74 1wis s ARG 50 Cb 0.11 0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 33.67 1wis s ARG 50 CO 0.83 -0.09 0.06 -1.58 -0.81 0.00 0.00 175.30 173.71 1wis s TRP 51 N -0.40 3.08 -0.02 5.12 0.52 0.49 -1.67 118.94 126.06 1wis s TRP 51 Ca 0.03 -0.52 -0.06 0.00 0.02 0.00 0.00 56.10 55.56 1wis s TRP 51 Cb -0.03 -2.23 -0.04 0.00 -1.15 0.00 0.00 33.47 30.02 1wis s TRP 51 CO -0.05 -0.40 0.23 -1.17 0.02 0.00 0.00 176.95 175.58 1wis s LEU 52 N 1.59 4.38 -0.20 2.99 2.96 -0.45 0.59 118.68 130.55 1wis s LEU 52 Ca 0.06 0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.47 1wis s LEU 52 Cb -0.15 -2.52 0.06 0.00 0.50 0.00 0.00 46.19 44.08 1wis s LEU 52 CO 0.03 0.29 0.03 -0.69 -1.32 0.00 0.00 176.35 174.69 1wis s VAL 53 N -1.23 0.62 0.35 1.68 1.01 0.24 -2.08 120.40 121.00 1wis s VAL 53 Ca 0.24 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.65 1wis s VAL 53 Cb -0.13 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1wis s VAL 53 CO 0.14 -0.21 0.43 -1.61 0.00 0.00 0.00 175.10 173.84 1wis s GLU 54 N 1.81 2.93 0.20 2.72 2.02 -1.26 -0.01 118.70 127.11 1wis s GLU 54 Ca -0.01 -1.16 -0.22 0.00 0.02 0.00 0.00 54.97 53.60 1wis s GLU 54 Cb -0.17 -2.69 0.05 0.00 0.10 0.00 0.00 34.13 31.42 1wis s GLU 54 CO -0.08 0.01 0.64 0.00 0.02 0.00 0.00 175.26 175.85 1wis s ALA 55 N -2.26 -1.45 0.09 5.21 0.00 -0.69 -1.38 121.76 121.28 1wis s ALA 55 Ca 0.45 0.19 0.10 0.00 0.00 0.00 0.00 51.96 52.70 1wis s ALA 55 Cb -0.08 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 1wis s ALA 55 CO 0.30 -0.87 -0.23 -0.65 0.00 0.00 0.00 175.76 174.31 1wis s GLN 56 N -3.81 1.68 -0.01 0.00 -0.21 -1.25 -3.50 119.66 112.56 1wis s GLN 56 Ca 0.05 -1.20 -0.23 0.00 0.02 0.00 0.00 55.36 54.00 1wis s GLN 56 Cb -0.03 -2.01 -0.05 0.00 1.00 0.00 0.00 33.01 31.92 1wis s GLN 56 CO -0.06 0.48 0.68 0.08 -2.12 0.00 0.00 175.29 174.36 1wis s VAL 57 N -1.00 4.91 0.00 1.09 1.01 -1.26 -3.20 120.40 121.95 1wis s VAL 57 Ca 0.14 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1wis s VAL 57 Cb -0.10 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1wis s VAL 57 CO 0.06 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1wis n GLY 58 N 2.67 0.51 3.68 4.51 0.00 0.21 -4.40 105.19 112.37 1wis n GLY 58 Ca -0.04 0.58 -0.61 0.00 0.00 0.00 0.00 46.02 45.95 1wis n GLY 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wis n VAL 59 N 0.00 0.17 -3.97 1.61 3.14 -1.26 -4.66 118.33 113.35 1wis n VAL 59 Ca 0.00 -0.04 -0.31 0.00 -2.96 0.00 0.00 64.34 61.03 1wis n VAL 59 Cb 0.00 -0.92 -0.15 0.00 -1.06 0.00 0.00 33.84 31.71 1wis n VAL 59 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1wis s VAL 60 N 3.70 2.32 -0.09 1.55 1.01 -1.26 -4.90 120.40 122.74 1wis s VAL 60 Ca 1.03 -2.70 -0.32 0.00 0.00 0.00 0.00 61.98 59.99 1wis s VAL 60 Cb -1.25 -2.67 0.14 0.00 0.00 0.00 0.00 36.38 32.59 1wis s VAL 60 CO 0.71 -0.69 1.42 -0.83 0.00 0.00 0.00 175.10 175.71 1wis s GLY 61 N 0.45 -0.44 1.11 4.51 0.00 -1.26 -5.15 107.32 106.53 1wis s GLY 61 Ca 0.13 0.79 -0.17 0.00 0.00 0.00 0.00 44.72 45.47 1wis s GLY 61 CO -0.05 1.39 0.17 -1.84 0.00 0.00 0.00 173.10 172.77 1wis n GLU 62 N -0.59 -2.12 0.00 2.90 0.28 -1.26 -3.30 120.64 116.56 1wis n GLU 62 Ca -0.07 -0.61 0.00 0.00 -0.16 0.00 0.00 57.16 56.32 1wis n GLU 62 Cb 0.63 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.87 1wis n GLU 62 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wis n GLY 63 N 2.18 1.81 3.86 -1.84 0.00 -1.26 -4.96 105.19 104.99 1wis n GLY 63 Ca 0.03 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1wis n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wis s GLU 64 N 0.00 3.81 0.46 1.61 0.41 -1.21 -5.07 118.70 118.70 1wis s GLU 64 Ca 0.00 0.78 -0.02 0.00 -0.41 0.00 0.00 54.97 55.32 1wis s GLU 64 Cb 0.00 -2.17 -0.01 0.00 -1.78 0.00 0.00 34.13 30.16 1wis s GLU 64 CO 0.00 -0.31 0.70 -1.83 -0.49 0.00 0.00 175.26 173.33 1wis s GLU 65 N -4.37 3.23 -0.23 1.61 -1.05 -1.26 -4.99 118.70 111.64 1wis s GLU 65 Ca 0.56 -0.24 0.00 0.00 -0.15 0.00 0.00 54.97 55.14 1wis s GLU 65 Cb -0.10 -2.50 0.03 0.00 -0.44 0.00 0.00 34.13 31.12 1wis s GLU 65 CO 0.38 -0.23 -0.11 -1.58 0.95 0.00 0.00 175.26 174.67 1wis s TRP 66 N -2.61 3.04 0.18 4.83 0.52 -1.26 -4.85 118.94 118.79 1wis s TRP 66 Ca 0.47 -1.76 0.05 0.00 0.02 0.00 0.00 56.10 54.88 1wis s TRP 66 Cb -0.10 -1.99 -0.04 0.00 -1.15 0.00 0.00 33.47 30.19 1wis s TRP 66 CO 0.40 -0.79 0.19 -0.51 0.02 0.00 0.00 176.95 176.27 1wis s LEU 67 N 1.26 3.96 0.65 2.99 1.43 -1.23 -4.90 118.68 122.84 1wis s LEU 67 Ca -0.01 -0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 1wis s LEU 67 Cb -0.16 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 1wis s LEU 67 CO -0.07 0.04 1.06 -0.22 0.23 0.00 0.00 176.35 177.39 1wis s LEU 68 N -3.30 3.30 0.00 1.79 2.96 -1.26 -1.70 118.68 120.46 1wis s LEU 68 Ca 0.32 1.74 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 1wis s LEU 68 Cb -0.10 -4.52 0.00 0.00 0.50 0.00 0.00 46.19 42.08 1wis s LEU 68 CO 0.25 -1.37 0.00 2.30 -1.32 0.00 0.00 176.35 176.21 1wis n ILE 69 N -2.64 0.00 -4.36 6.68 -5.35 0.99 -4.82 119.36 109.86 1wis n ILE 69 Ca 0.08 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.36 1wis n ILE 69 Cb 0.53 -0.39 -0.16 0.00 -1.74 0.00 0.00 39.64 37.88 1wis n ILE 69 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1wis s HIS 70 N -1.63 0.97 -0.05 4.28 5.04 -0.78 -4.93 115.29 118.19 1wis s HIS 70 Ca 0.00 -0.27 -0.00 0.00 -1.54 0.00 0.00 55.06 53.25 1wis s HIS 70 Cb 0.00 -0.73 0.03 0.00 0.04 0.00 0.00 32.58 31.92 1wis s HIS 70 CO 0.00 -0.15 -0.01 1.14 -2.34 0.00 0.00 174.74 173.38 1wis s GLN 71 N 0.44 0.53 -0.15 2.88 -2.07 -1.26 0.81 119.66 120.84 1wis s GLN 71 Ca -0.07 0.05 -0.04 0.00 -1.82 0.00 0.00 55.36 53.48 1wis s GLN 71 Cb -0.11 -0.73 -0.03 0.00 -1.09 0.00 0.00 33.01 31.05 1wis s GLN 71 CO 0.01 -0.18 -0.02 -1.17 -1.32 0.00 0.00 175.29 172.62 1wis s LEU 72 N 1.31 3.39 0.00 2.60 2.96 0.20 -4.92 118.68 124.22 1wis s LEU 72 Ca -0.05 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 1wis s LEU 72 Cb -0.13 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.74 1wis s LEU 72 CO -0.02 0.21 0.00 -1.20 -1.32 0.00 0.00 176.35 174.02 1wis n SER 73 N 3.26 -0.99 0.00 3.68 7.64 -1.26 0.18 113.62 126.13 1wis n SER 73 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1wis n SER 73 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1wis n SER 73 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1wis n ASN 74 N -1.49 0.00 -3.68 6.43 4.13 0.59 -3.76 115.26 117.49 1wis n ASN 74 Ca 0.00 0.24 -0.25 0.00 1.68 0.00 0.00 54.58 56.25 1wis n ASN 74 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1wis n ASN 74 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1wis n GLU 75 N -0.55 -1.09 0.00 3.52 1.02 -1.26 -4.30 120.64 117.98 1wis n GLU 75 Ca 0.00 0.48 0.12 0.00 -0.02 0.00 0.00 57.16 57.74 1wis n GLU 75 Cb 0.00 -1.84 0.70 0.00 -0.02 0.00 0.00 31.44 30.29 1wis n GLU 75 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wis n PRO 76 N -2.71 0.75 -2.29 3.49 -0.04 -1.26 -3.12 135.00 129.83 1wis n PRO 76 Ca -0.24 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.93 1wis n PRO 76 Cb 0.56 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.54 1wis n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wis n ASP 77 N -0.99 5.30 -3.79 3.54 8.00 -1.26 -4.93 116.55 122.41 1wis n ASP 77 Ca 0.18 -3.75 -0.23 0.00 0.71 0.00 0.00 54.79 51.70 1wis n ASP 77 Cb 0.08 -0.56 -0.17 0.00 -0.02 0.00 0.00 41.12 40.45 1wis n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wis s ALA 78 N -3.64 0.78 -0.14 2.24 0.00 -1.18 -5.00 121.76 114.82 1wis s ALA 78 Ca 0.50 -0.18 0.18 0.00 0.00 0.00 0.00 51.96 52.46 1wis s ALA 78 Cb 0.41 -0.76 -0.25 0.00 0.00 0.00 0.00 23.12 22.52 1wis s ALA 78 CO -0.19 -0.44 0.29 0.54 0.00 0.00 0.00 175.76 175.96 1wis n ARG 79 N 5.10 0.67 -4.03 0.00 5.12 -1.26 -4.94 116.66 117.32 1wis n ARG 79 Ca -0.08 0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.76 1wis n ARG 79 Cb 0.50 -1.58 -0.09 0.00 -1.16 0.00 0.00 32.46 30.13 1wis n ARG 79 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wis s SER 80 N -5.41 0.25 0.05 0.55 0.01 -1.26 -2.24 113.70 105.66 1wis s SER 80 Ca -0.08 -0.96 -0.27 0.00 1.31 0.00 0.00 55.95 55.95 1wis s SER 80 Cb 0.08 0.31 0.09 0.00 0.21 0.00 0.00 66.02 66.71 1wis s SER 80 CO 0.84 -0.73 0.77 0.00 0.41 0.00 0.00 173.24 174.53 1wis s MET 81 N -3.96 0.99 0.15 12.44 0.23 -1.14 -5.03 119.30 122.99 1wis s MET 81 Ca 0.14 -0.32 -0.26 0.00 -1.03 0.00 0.00 55.69 54.22 1wis s MET 81 Cb 0.06 0.46 -0.08 0.00 -1.53 0.00 0.00 34.83 33.74 1wis s MET 81 CO -0.04 -0.43 0.81 -2.00 -2.03 0.00 0.00 175.02 171.33 1wis s GLU 82 N -3.19 4.61 -0.52 3.16 2.12 -1.26 -1.78 118.70 121.85 1wis s GLU 82 Ca 0.02 1.21 -0.01 0.00 0.36 0.00 0.00 54.97 56.55 1wis s GLU 82 Cb -0.01 -3.29 0.14 0.00 0.26 0.00 0.00 34.13 31.22 1wis s GLU 82 CO -0.09 0.49 0.31 0.08 -0.54 0.00 0.00 175.26 175.50 1wis s VAL 83 N -0.87 3.31 0.00 3.70 1.01 0.25 -4.93 120.40 122.87 1wis s VAL 83 Ca 0.38 -2.65 0.00 0.00 0.00 0.00 0.00 61.98 59.70 1wis s VAL 83 Cb -0.23 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1wis s VAL 83 CO 0.27 -0.78 0.00 -0.81 0.00 0.00 0.00 175.10 173.77 1wis n PRO 84 N 3.87 0.28 -3.64 2.72 -0.04 -1.26 -2.21 135.00 134.72 1wis n PRO 84 Ca 0.04 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.24 1wis n PRO 84 Cb 0.39 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.85 1wis n PRO 84 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wis n ASP 85 N -1.44 -5.32 -4.28 3.54 9.92 -0.73 -4.79 116.55 113.44 1wis n ASP 85 Ca 0.00 -0.67 -0.22 0.00 -0.53 0.00 0.00 54.79 53.37 1wis n ASP 85 Cb 0.00 -2.08 -0.12 0.00 -0.64 0.00 0.00 41.12 38.29 1wis n ASP 85 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wis s LEU 86 N -4.27 2.37 -0.38 0.64 1.43 -0.53 -4.99 118.68 112.94 1wis s LEU 86 Ca 0.09 -0.77 -0.23 0.00 -1.03 0.00 0.00 54.13 52.20 1wis s LEU 86 Cb -0.01 -0.77 0.01 0.00 0.03 0.00 0.00 46.19 45.45 1wis s LEU 86 CO 0.88 -0.03 0.75 0.20 0.23 0.00 0.00 176.35 178.38 1wis s ASN 87 N -2.28 6.49 0.44 2.29 -0.87 -1.26 -4.48 114.94 115.27 1wis s ASN 87 Ca 0.10 0.20 -0.22 0.00 -1.57 0.00 0.00 52.86 51.37 1wis s ASN 87 Cb -0.07 -2.38 -0.09 0.00 -0.02 0.00 0.00 41.25 38.69 1wis s ASN 87 CO 0.05 -0.75 1.05 -2.16 -2.57 0.00 0.00 177.10 172.72 1wis s PRO 88 N 3.06 3.98 -1.46 -0.60 0.04 -1.23 -3.47 135.00 135.33 1wis s PRO 88 Ca 0.30 1.44 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 1wis s PRO 88 Cb -0.13 -2.32 0.05 0.00 0.04 0.00 0.00 34.50 32.13 1wis s PRO 88 CO 0.18 -0.29 0.90 0.34 0.04 0.00 0.00 177.00 178.17 1wis n PHE 89 N -0.51 -2.34 -3.82 0.56 7.35 -0.71 -4.92 117.46 113.07 1wis n PHE 89 Ca 0.07 0.80 -0.13 0.00 -0.76 0.00 0.00 57.45 57.44 1wis n PHE 89 Cb 0.51 -4.25 -0.13 0.00 0.35 0.00 0.00 39.48 35.95 1wis n PHE 89 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1wis s THR 90 N -3.23 -0.01 -0.10 -2.13 2.01 -1.23 -4.97 115.64 105.99 1wis s THR 90 Ca 0.54 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 1wis s THR 90 Cb -0.26 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 1wis s THR 90 CO 0.67 0.01 1.27 0.00 -0.69 0.00 0.00 174.62 175.88 1wis s TYR 92 N 2.88 0.33 0.50 0.00 1.51 -1.26 -0.62 117.35 120.69 1wis s TYR 92 Ca 0.57 -0.81 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 1wis s TYR 92 Cb -0.24 -0.22 -0.02 0.00 -0.11 0.00 0.00 41.96 41.37 1wis s TYR 92 CO 0.19 -0.46 0.02 0.45 -1.11 0.00 0.00 175.55 174.64 1wis s SER 93 N -2.88 4.13 -0.23 2.29 0.15 -1.19 -4.11 113.70 111.85 1wis s SER 93 Ca 0.06 -1.62 -0.21 0.00 0.70 0.00 0.00 55.95 54.88 1wis s SER 93 Cb 0.06 0.45 0.06 0.00 -1.71 0.00 0.00 66.02 64.89 1wis s SER 93 CO -0.10 -0.83 0.62 -0.36 1.20 0.00 0.00 173.24 173.76 1wis s PHE 94 N -2.86 -0.71 0.00 3.44 0.08 -1.26 -3.81 117.98 112.86 1wis s PHE 94 Ca 0.09 1.69 0.00 0.00 0.12 0.00 0.00 56.93 58.83 1wis s PHE 94 Cb 0.02 0.27 0.00 0.00 -0.57 0.00 0.00 43.02 42.74 1wis s PHE 94 CO 0.05 -0.35 0.00 2.89 -0.10 0.00 0.00 175.22 177.71 1wis n ARG 95 N 2.94 1.44 -4.22 0.44 1.85 -0.48 -2.18 116.66 116.46 1wis n ARG 95 Ca -0.15 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.58 1wis n ARG 95 Cb 0.56 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.87 1wis n ARG 95 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1wis s MET 96 N -1.47 1.04 -0.28 2.89 -1.94 -1.26 -4.09 119.30 114.18 1wis s MET 96 Ca 0.00 -1.48 -0.23 0.00 -1.71 0.00 0.00 55.69 52.26 1wis s MET 96 Cb 0.00 -0.22 0.12 0.00 2.01 0.00 0.00 34.83 36.75 1wis s MET 96 CO 0.00 -0.11 1.01 1.03 -0.01 0.00 0.00 175.02 176.94 1wis s ARG 97 N -3.91 0.49 -0.09 2.03 0.52 -0.88 -3.56 118.95 113.55 1wis s ARG 97 Ca 0.21 0.63 0.02 0.00 -0.52 0.00 0.00 55.73 56.07 1wis s ARG 97 Cb 0.06 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.72 1wis s ARG 97 CO 0.02 -0.07 -0.14 -0.65 0.02 0.00 0.00 175.30 174.49 1wis s GLN 98 N 0.46 2.95 -0.11 3.54 -0.21 -1.26 -1.34 119.66 123.70 1wis s GLN 98 Ca 0.01 -0.69 0.04 0.00 0.02 0.00 0.00 55.36 54.74 1wis s GLN 98 Cb -0.05 -2.51 0.00 0.00 1.00 0.00 0.00 33.01 31.46 1wis s GLN 98 CO -0.08 0.42 -0.23 0.08 -2.12 0.00 0.00 175.29 173.36 1wis s VAL 99 N -0.19 2.00 0.37 1.09 1.01 -0.67 -2.07 120.40 121.95 1wis s VAL 99 Ca 0.00 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.07 1wis s VAL 99 Cb -0.13 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1wis s VAL 99 CO 0.03 0.54 0.21 -0.46 0.00 0.00 0.00 175.10 175.43 1wis n ASN 100 N 3.66 0.27 0.21 3.32 6.94 -0.33 0.19 115.26 129.52 1wis n ASN 100 Ca -0.19 -3.20 0.13 0.00 -0.02 0.00 0.00 54.58 51.29 1wis n ASN 100 Cb 0.53 1.36 0.69 0.00 -2.36 0.00 0.00 39.78 39.99 1wis n ASN 100 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 1wis h ILE 101 N 1.88 0.00 0.00 1.53 6.09 -1.89 -2.94 117.51 122.18 1wis h ILE 101 Ca -0.28 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 1wis h ILE 101 Cb 1.22 0.56 0.00 0.00 0.47 0.00 0.00 36.82 39.06 1wis h ILE 101 CO 0.43 0.00 0.00 0.52 -3.07 0.00 0.00 178.15 176.03 1wis n VAL 102 N -2.43 0.00 -1.21 2.19 0.31 -1.26 -5.07 118.33 110.86 1wis n VAL 102 Ca -0.02 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 1wis n VAL 102 Cb 0.13 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 1wis n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wis n GLY 103 N 2.19 2.46 3.02 2.92 0.00 -1.11 -5.03 105.19 109.63 1wis n GLY 103 Ca 0.00 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 1wis n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wis s THR 104 N -0.82 1.41 1.16 2.61 2.01 -1.26 -1.19 115.64 119.56 1wis s THR 104 Ca 0.00 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.30 1wis s THR 104 Cb 0.00 -1.32 0.28 0.00 0.01 0.00 0.00 72.50 71.47 1wis s THR 104 CO 0.00 0.43 1.03 -0.94 -0.69 0.00 0.00 174.62 174.45 1wis s SER 105 N 1.23 1.06 0.99 3.53 1.04 -0.88 -4.98 113.70 115.68 1wis s SER 105 Ca -0.02 1.38 -0.15 0.00 0.48 0.00 0.00 55.95 57.64 1wis s SER 105 Cb -0.14 -2.14 0.18 0.00 0.10 0.00 0.00 66.02 64.03 1wis s SER 105 CO -0.05 -4.13 1.17 -2.16 0.98 0.00 0.00 173.24 169.05 1wis s PRO 106 N -4.58 0.51 0.24 4.02 0.04 -1.26 -4.68 135.00 129.28 1wis s PRO 106 Ca 0.68 0.06 -0.30 0.00 0.04 0.00 0.00 61.00 61.48 1wis s PRO 106 Cb -0.23 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 1wis s PRO 106 CO 0.63 -2.58 1.09 -1.25 0.04 0.00 0.00 177.00 174.94 1wis s PRO 107 N -5.44 4.63 0.28 0.56 0.04 -1.26 -4.75 135.00 129.06 1wis s PRO 107 Ca 0.68 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 63.45 1wis s PRO 107 Cb -0.11 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1wis s PRO 107 CO 0.54 0.17 0.51 0.45 0.04 0.00 0.00 177.00 178.71 1wis s SER 108 N -0.59 6.38 0.05 6.66 0.15 -1.23 -5.00 113.70 120.12 1wis s SER 108 Ca 0.46 0.56 -0.34 0.00 0.70 0.00 0.00 55.95 57.33 1wis s SER 108 Cb -0.31 -2.08 -0.18 0.00 -1.71 0.00 0.00 66.02 61.75 1wis s SER 108 CO 0.38 -0.19 0.85 1.67 1.20 0.00 0.00 173.24 177.16 1wis n GLN 109 N -1.12 0.00 -1.90 5.44 0.00 -1.26 -4.48 117.38 114.06 1wis n GLN 109 Ca -0.03 0.00 -0.32 0.00 -0.00 0.00 0.00 57.00 56.65 1wis n GLN 109 Cb 0.55 -1.26 0.02 0.00 0.00 0.00 0.00 30.24 29.54 1wis n GLN 109 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1wis s PRO 110 N -0.26 3.22 0.82 3.69 0.04 -1.26 -4.80 135.00 136.45 1wis s PRO 110 Ca 0.78 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 1wis s PRO 110 Cb -1.09 -2.02 0.08 0.00 0.04 0.00 0.00 34.50 31.51 1wis s PRO 110 CO 0.53 -0.88 1.11 -1.54 0.04 0.00 0.00 177.00 176.26 1wis s SER 111 N -3.17 4.33 0.81 6.66 1.04 -0.93 -4.97 113.70 117.46 1wis s SER 111 Ca 0.61 1.20 -0.10 0.00 0.48 0.00 0.00 55.95 58.14 1wis s SER 111 Cb -0.15 -1.90 0.08 0.00 0.10 0.00 0.00 66.02 64.16 1wis s SER 111 CO 0.43 -2.06 1.10 -0.13 0.98 0.00 0.00 173.24 173.56 1wis s ARG 112 N -5.21 1.91 -0.24 4.02 0.52 -1.26 -4.72 118.95 113.97 1wis s ARG 112 Ca 0.61 1.23 -0.28 0.00 -0.52 0.00 0.00 55.73 56.77 1wis s ARG 112 Cb -0.14 -1.85 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 1wis s ARG 112 CO 0.54 -1.91 1.97 0.21 0.02 0.00 0.00 175.30 176.13 1wis s LYS 113 N -4.85 3.36 0.56 3.54 2.47 -1.26 -4.91 119.74 118.65 1wis s LYS 113 Ca 0.63 1.79 0.06 0.00 -1.56 0.00 0.00 55.97 56.89 1wis s LYS 113 Cb -0.18 -4.25 0.06 0.00 -1.46 0.00 0.00 37.83 31.99 1wis s LYS 113 CO 0.57 -1.83 0.50 0.96 0.16 0.00 0.00 175.35 175.70 1wis s ILE 114 N 7.12 1.69 -0.18 5.43 -5.25 -1.26 -5.06 121.20 123.69 1wis s ILE 114 Ca 0.88 -1.38 -0.05 0.00 -0.99 0.00 0.00 60.65 59.11 1wis s ILE 114 Cb -0.29 -2.08 0.07 0.00 2.95 0.00 0.00 42.46 43.12 1wis s ILE 114 CO 0.34 0.00 0.12 -1.58 -1.79 0.00 0.00 174.94 172.03 1wis s GLN 115 N -4.39 0.09 0.67 0.37 0.74 -1.26 -4.23 119.66 111.65 1wis s GLN 115 Ca 0.39 -0.03 -0.16 0.00 0.05 0.00 0.00 55.36 55.61 1wis s GLN 115 Cb -0.03 -1.69 0.00 0.00 1.10 0.00 0.00 33.01 32.40 1wis s GLN 115 CO 0.25 -0.68 1.18 0.95 -0.55 0.00 0.00 175.29 176.45 1wis s THR 116 N 2.18 2.65 1.12 -0.34 -4.23 -1.26 -4.89 115.64 110.87 1wis s THR 116 Ca 0.03 0.34 -0.18 0.00 -1.18 0.00 0.00 61.69 60.70 1wis s THR 116 Cb -0.16 -2.96 0.26 0.00 1.34 0.00 0.00 72.50 70.98 1wis s THR 116 CO -0.10 -0.15 1.16 -0.76 -0.54 0.00 0.00 174.62 174.23 1wis s LEU 117 N -4.71 1.28 0.44 4.79 1.43 -0.83 -1.74 118.68 119.34 1wis s LEU 117 Ca 0.74 0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 54.31 1wis s LEU 117 Cb -0.27 -2.42 -0.06 0.00 0.03 0.00 0.00 46.19 43.47 1wis s LEU 117 CO 0.40 -3.68 0.80 -1.10 0.23 0.00 0.00 176.35 172.99 1wis s GLN 118 N -5.51 3.74 -0.09 1.70 -0.21 -1.26 -2.14 119.66 115.90 1wis s GLN 118 Ca 0.71 0.47 -0.09 0.00 0.02 0.00 0.00 55.36 56.47 1wis s GLN 118 Cb -0.09 -2.36 -0.03 0.00 1.00 0.00 0.00 33.01 31.54 1wis s GLN 118 CO 0.55 -0.11 -0.18 0.45 -2.12 0.00 0.00 175.29 173.88 1wis n SER 119 N -1.56 1.09 -4.45 5.90 2.88 -1.26 -4.72 113.62 111.50 1wis n SER 119 Ca 0.03 0.18 -0.34 0.00 -1.33 0.00 0.00 58.87 57.40 1wis n SER 119 Cb 0.54 -0.59 0.10 0.00 -0.75 0.00 0.00 64.21 63.51 1wis n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wis n GLY 120 N 1.73 -1.69 3.55 0.46 0.00 -1.26 -4.82 105.19 103.16 1wis n GLY 120 Ca -0.07 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 1wis n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wis s PRO 121 N -3.26 2.97 -0.23 1.61 0.04 -1.26 -4.91 135.00 129.95 1wis s PRO 121 Ca 0.62 -0.10 -0.22 0.00 0.04 0.00 0.00 61.00 61.34 1wis s PRO 121 Cb -0.28 -4.57 0.06 0.00 0.04 0.00 0.00 34.50 29.76 1wis s PRO 121 CO 0.62 -2.54 0.63 -1.12 0.04 0.00 0.00 177.00 174.63 1wis s SER 122 N 6.06 -0.65 0.22 6.66 0.01 -1.26 -5.16 113.70 119.57 1wis s SER 122 Ca 0.53 1.26 -0.15 0.00 1.31 0.00 0.00 55.95 58.90 1wis s SER 122 Cb -0.08 1.28 -0.08 0.00 0.21 0.00 0.00 66.02 67.35 1wis s SER 122 CO 0.11 -0.22 0.64 -0.55 0.41 0.00 0.00 173.24 173.63 1wis s SER 123 N 0.33 6.85 0.00 2.44 0.15 -1.26 -5.03 113.70 117.18 1wis s SER 123 Ca -0.00 1.20 0.00 0.00 0.70 0.00 0.00 55.95 57.85 1wis s SER 123 Cb -0.04 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1wis s SER 123 CO 0.01 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.04