#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wis s SER 2 N 0.00 0.11 0.11 1.61 0.15 -1.26 -5.18 113.70 109.24 1wis s SER 2 Ca 0.00 -0.99 -0.13 0.00 0.70 0.00 0.00 55.95 55.53 1wis s SER 2 Cb 0.00 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.74 1wis s SER 2 CO 0.00 -0.86 0.32 -0.94 1.20 0.00 0.00 173.24 172.95 1wis s SER 3 N -3.00 -0.09 0.00 5.45 1.04 -1.26 -5.18 113.70 110.66 1wis s SER 3 Ca 0.20 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1wis s SER 3 Cb 0.04 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1wis s SER 3 CO 0.02 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1wis n GLY 4 N -0.14 1.13 3.57 7.32 0.00 -1.26 -5.15 105.19 110.66 1wis n GLY 4 Ca -0.16 -1.89 -0.06 0.00 0.00 0.00 0.00 46.02 43.91 1wis n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wis s SER 5 N -1.00 -0.22 -0.04 1.61 0.15 -1.26 -5.18 113.70 107.76 1wis s SER 5 Ca 0.00 0.04 -0.30 0.00 0.70 0.00 0.00 55.95 56.39 1wis s SER 5 Cb 0.00 0.22 0.07 0.00 -1.71 0.00 0.00 66.02 64.60 1wis s SER 5 CO 0.00 -0.34 0.67 -0.94 1.20 0.00 0.00 173.24 173.83 1wis s SER 6 N -2.09 -0.65 -1.03 5.45 1.04 -1.26 -5.10 113.70 110.07 1wis s SER 6 Ca 0.07 0.67 -0.14 0.00 0.48 0.00 0.00 55.95 57.03 1wis s SER 6 Cb -0.01 0.54 0.20 0.00 0.10 0.00 0.00 66.02 66.85 1wis s SER 6 CO -0.05 -0.63 1.13 -0.83 0.98 0.00 0.00 173.24 173.84 1wis s GLY 7 N -1.28 2.53 -0.21 7.32 0.00 -1.26 -4.97 107.32 109.45 1wis s GLY 7 Ca -0.10 -3.31 0.02 0.00 0.00 0.00 0.00 44.72 41.32 1wis s GLY 7 CO 0.09 1.69 -0.16 -0.51 0.00 0.00 0.00 173.10 174.21 1wis s THR 8 N 0.89 2.08 0.00 0.90 -4.23 -1.26 -5.08 115.64 108.94 1wis s THR 8 Ca 0.32 -1.22 -0.37 0.00 -1.18 0.00 0.00 61.69 59.24 1wis s THR 8 Cb -0.07 -2.01 -0.16 0.00 1.34 0.00 0.00 72.50 71.60 1wis s THR 8 CO -0.06 0.29 1.48 0.00 -0.54 0.00 0.00 174.62 175.79 1wis n ILE 9 N 4.55 0.09 -4.45 2.99 3.06 -1.26 -4.96 119.36 119.38 1wis n ILE 9 Ca -0.18 -0.02 -0.22 0.00 -2.50 0.00 0.00 62.75 59.83 1wis n ILE 9 Cb 0.47 -1.01 -0.10 0.00 0.54 0.00 0.00 39.64 39.53 1wis n ILE 9 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1wis s SER 10 N 1.37 3.06 -0.47 9.51 0.15 -1.26 -5.11 113.70 120.95 1wis s SER 10 Ca 0.88 -1.17 -0.05 0.00 0.70 0.00 0.00 55.95 56.31 1wis s SER 10 Cb -0.95 -0.22 0.12 0.00 -1.71 0.00 0.00 66.02 63.26 1wis s SER 10 CO 0.51 -0.26 0.29 -0.44 1.20 0.00 0.00 173.24 174.53 1wis s SER 11 N -3.48 5.40 0.00 5.45 0.01 -1.26 -4.97 113.70 114.85 1wis s SER 11 Ca 0.30 -2.14 0.00 0.00 1.31 0.00 0.00 55.95 55.42 1wis s SER 11 Cb 0.02 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1wis s SER 11 CO 0.13 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.83 1wis n GLY 12 N 4.49 1.13 3.77 3.44 0.00 -1.26 -5.01 105.19 111.75 1wis n GLY 12 Ca -0.02 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 1wis n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wis s VAL 13 N -1.61 4.34 0.43 1.61 1.01 -1.26 -5.04 120.40 119.88 1wis s VAL 13 Ca 0.00 1.75 -0.23 0.00 0.00 0.00 0.00 61.98 63.50 1wis s VAL 13 Cb 0.00 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 1wis s VAL 13 CO 0.00 0.52 1.05 -2.16 0.00 0.00 0.00 175.10 174.51 1wis s PRO 14 N -1.13 4.02 0.76 2.72 0.04 -1.26 -5.04 135.00 135.11 1wis s PRO 14 Ca 0.36 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1wis s PRO 14 Cb -0.23 -2.37 0.05 0.00 0.04 0.00 0.00 34.50 31.99 1wis s PRO 14 CO 0.27 -0.26 1.08 -1.25 0.04 0.00 0.00 177.00 176.88 1wis s PRO 15 N -2.78 2.39 0.48 0.56 0.04 -1.26 -5.08 135.00 129.34 1wis s PRO 15 Ca 0.62 0.76 0.05 0.00 0.04 0.00 0.00 61.00 62.46 1wis s PRO 15 Cb -0.20 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1wis s PRO 15 CO 0.25 -1.43 0.18 -1.21 0.04 0.00 0.00 177.00 174.82 1wis s GLU 16 N -5.11 2.21 0.52 4.56 2.02 -1.18 -4.86 118.70 116.85 1wis s GLU 16 Ca 0.60 -2.07 -0.18 0.00 0.02 0.00 0.00 54.97 53.33 1wis s GLU 16 Cb -0.14 -1.86 -0.07 0.00 0.10 0.00 0.00 34.13 32.16 1wis s GLU 16 CO 0.54 -0.33 1.02 -0.51 0.02 0.00 0.00 175.26 176.01 1wis s LEU 17 N -3.99 3.68 0.00 1.80 1.43 -1.26 -4.66 118.68 115.69 1wis s LEU 17 Ca 0.28 1.79 -0.01 0.00 -1.03 0.00 0.00 54.13 55.17 1wis s LEU 17 Cb 0.02 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.71 1wis s LEU 17 CO 0.16 -0.83 0.04 -0.81 0.23 0.00 0.00 176.35 175.13 1wis n PRO 18 N -1.44 -0.55 -4.40 1.29 -0.04 -1.21 -4.43 135.00 124.21 1wis n PRO 18 Ca 0.08 -0.06 -0.20 0.00 -0.04 0.00 0.00 63.50 63.29 1wis n PRO 18 Cb 0.53 -0.04 -0.10 0.00 -0.04 0.00 0.00 33.50 33.84 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 -2.82 1.69 -0.11 0.55 0.00 0.25 -4.86 107.32 102.03 1wis s GLY 19 Ca 0.02 -1.82 -0.30 0.00 0.00 0.00 0.00 44.72 42.62 1wis s GLY 19 CO 0.02 -1.80 1.24 2.56 0.00 0.00 0.00 173.10 175.12 1wis s PRO 20 N -3.72 4.29 0.23 2.90 0.04 -1.26 -4.52 135.00 132.96 1wis s PRO 20 Ca 0.27 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 1wis s PRO 20 Cb 0.03 -3.66 -0.09 0.00 0.04 0.00 0.00 34.50 30.82 1wis s PRO 20 CO 0.10 -0.58 1.10 -1.25 0.04 0.00 0.00 177.00 176.41 1wis s PRO 21 N 2.86 4.62 0.00 0.56 0.04 -1.26 -4.49 135.00 137.33 1wis s PRO 21 Ca 0.56 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1wis s PRO 21 Cb -0.24 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1wis s PRO 21 CO 0.19 0.15 0.00 0.25 0.04 0.00 0.00 177.00 177.63 1wis n THR 22 N 1.79 0.00 -2.99 1.26 -2.24 -1.11 -4.73 114.28 106.26 1wis n THR 22 Ca 0.01 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.58 1wis n THR 22 Cb 0.45 -0.58 0.04 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.66 -5.77 -4.75 3.42 4.13 -1.26 -1.40 115.26 107.97 1wis n ASN 23 Ca 0.00 -0.28 -0.41 0.00 1.68 0.00 0.00 54.58 55.57 1wis n ASN 23 Cb 0.00 -4.58 -0.05 0.00 -1.54 0.00 0.00 39.78 33.61 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 -6.17 4.54 -0.17 3.41 2.96 -1.26 -3.71 118.68 118.29 1wis s LEU 24 Ca 0.30 2.10 -0.26 0.00 -0.22 0.00 0.00 54.13 56.04 1wis s LEU 24 Cb -0.13 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.01 1wis s LEU 24 CO 0.37 -0.11 0.67 -0.83 -1.32 0.00 0.00 176.35 175.13 1wis s GLY 25 N -0.56 -0.53 -0.31 7.98 0.00 -1.14 -4.94 107.32 107.81 1wis s GLY 25 Ca 0.46 1.63 -0.09 0.00 0.00 0.00 0.00 44.72 46.72 1wis s GLY 25 CO 0.36 1.33 0.14 -0.42 0.00 0.00 0.00 173.10 174.51 1wis s ILE 26 N -0.32 4.46 0.38 0.90 -1.09 -1.26 -2.18 121.20 122.10 1wis s ILE 26 Ca -0.05 -0.53 0.04 0.00 -2.23 0.00 0.00 60.65 57.88 1wis s ILE 26 Cb -0.03 -3.31 -0.06 0.00 -1.58 0.00 0.00 42.46 37.49 1wis s ILE 26 CO 0.05 0.03 0.05 -0.94 -1.23 0.00 0.00 174.94 172.90 1wis s SER 27 N 1.58 3.04 -1.30 3.58 1.04 -0.91 -4.82 113.70 115.91 1wis s SER 27 Ca 0.04 -1.46 -0.24 0.00 0.48 0.00 0.00 55.95 54.77 1wis s SER 27 Cb -0.17 0.00 0.03 0.00 0.10 0.00 0.00 66.02 65.98 1wis s SER 27 CO 0.05 -0.65 0.51 0.59 0.98 0.00 0.00 173.24 174.73 1wis n ASN 28 N -0.93 -2.78 -4.56 7.02 3.02 -1.26 -2.12 115.26 113.66 1wis n ASN 28 Ca -0.06 -1.26 -0.40 0.00 -0.03 0.00 0.00 54.58 52.84 1wis n ASN 28 Cb 0.66 -1.85 -0.03 0.00 -0.61 0.00 0.00 39.78 37.96 1wis n ASN 28 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wis s ILE 29 N -3.76 3.45 0.00 2.41 1.01 -1.26 -3.74 121.20 119.31 1wis s ILE 29 Ca 0.35 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.31 1wis s ILE 29 Cb -0.18 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1wis s ILE 29 CO 0.97 -0.96 0.00 0.61 0.00 0.00 0.00 174.94 175.56 1wis n GLY 30 N 5.59 -0.82 0.07 6.18 0.00 0.31 -4.49 105.19 112.03 1wis n GLY 30 Ca 0.18 -1.68 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 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 0.06 0.00 1.61 0.13 -1.85 -1.87 132.00 130.08 1wis h PRO 31 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 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 0.80 -0.21 0.54 -0.23 0.00 0.00 178.00 178.89 1wis n ARG 32 N -4.66 0.70 -3.68 0.86 1.74 -1.26 -3.81 116.66 106.54 1wis n ARG 32 Ca -0.09 -1.40 -0.15 0.00 -0.77 0.00 0.00 57.85 55.44 1wis n ARG 32 Cb 0.40 -0.83 -0.08 0.00 -1.02 0.00 0.00 32.46 30.94 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 -1.33 -0.34 0.26 0.55 1.04 -1.26 -1.75 113.70 110.87 1wis s SER 33 Ca 0.09 0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.68 1wis s SER 33 Cb 0.08 0.38 -0.00 0.00 0.10 0.00 0.00 66.02 66.58 1wis s SER 33 CO 0.01 -0.50 0.49 0.68 0.98 0.00 0.00 173.24 174.89 1wis s VAL 34 N -1.29 0.00 -0.20 5.02 -7.23 -1.18 0.11 120.40 115.63 1wis s VAL 34 Ca -0.13 -1.42 -0.04 0.00 -1.81 0.00 0.00 61.98 58.58 1wis s VAL 34 Cb -0.04 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 1wis s VAL 34 CO 0.06 0.00 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.94 1wis s THR 35 N -3.86 3.80 -0.20 5.32 2.01 -0.90 -0.35 115.64 121.46 1wis s THR 35 Ca 0.23 -0.37 -0.07 0.00 0.31 0.00 0.00 61.69 61.80 1wis s THR 35 Cb -0.01 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 1wis s THR 35 CO 0.10 0.43 0.05 -0.76 -0.69 0.00 0.00 174.62 173.75 1wis s LEU 36 N 1.03 3.58 0.26 4.42 1.43 0.24 -2.14 118.68 127.51 1wis s LEU 36 Ca 0.01 -0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.15 1wis s LEU 36 Cb -0.14 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1wis s LEU 36 CO 0.01 0.10 0.06 -1.10 0.23 0.00 0.00 176.35 175.65 1wis s GLN 37 N 0.79 2.50 0.00 1.70 -0.21 -0.92 -1.28 119.66 122.24 1wis s GLN 37 Ca 0.03 -1.29 0.00 0.00 0.02 0.00 0.00 55.36 54.11 1wis s GLN 37 Cb -0.14 -2.29 0.00 0.00 1.00 0.00 0.00 33.01 31.58 1wis s GLN 37 CO 0.02 0.38 0.00 1.97 -2.12 0.00 0.00 175.29 175.54 1wis n PHE 38 N -0.97 0.00 -3.77 0.91 -1.74 -0.66 -2.91 117.46 108.33 1wis n PHE 38 Ca -0.07 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.69 1wis n PHE 38 Cb 0.59 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.45 1wis n PHE 38 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1wis s ARG 39 N -0.48 0.18 -0.52 3.97 0.52 -0.49 -4.69 118.95 117.43 1wis s ARG 39 Ca 0.00 0.37 -0.28 0.00 -0.52 0.00 0.00 55.73 55.30 1wis s ARG 39 Cb 0.00 -0.04 0.01 0.00 0.52 0.00 0.00 34.95 35.43 1wis s ARG 39 CO 0.00 -0.11 1.47 -1.25 0.02 0.00 0.00 175.30 175.43 1wis s PRO 40 N 0.76 3.31 0.00 3.54 0.04 -1.26 -2.75 135.00 138.64 1wis s PRO 40 Ca -0.05 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1wis s PRO 40 Cb -0.07 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1wis s PRO 40 CO -0.04 -1.91 0.09 0.41 0.04 0.00 0.00 177.00 175.59 1wis n GLY 41 N 5.26 -1.78 3.18 0.56 0.00 -1.26 -4.71 105.19 106.44 1wis n GLY 41 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.19 3.43 0.12 1.61 6.14 -1.26 -4.97 117.35 122.23 1wis s TYR 42 Ca 0.00 -2.02 -0.28 0.00 0.64 0.00 0.00 57.07 55.41 1wis s TYR 42 Cb 0.00 -2.80 -0.08 0.00 0.42 0.00 0.00 41.96 39.50 1wis s TYR 42 CO 0.00 -0.88 1.61 0.38 0.64 0.00 0.00 175.55 177.30 1wis h ASP 43 N 8.12 -0.97 0.00 4.32 2.03 -1.87 0.73 116.42 128.78 1wis h ASP 43 Ca -0.18 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 1wis h ASP 43 Cb 1.06 0.37 0.00 0.00 -0.83 0.00 0.00 39.33 39.93 1wis h ASP 43 CO 0.66 -0.41 0.00 0.61 -1.03 0.00 0.00 179.24 179.06 1wis n GLY 44 N -1.42 0.86 2.39 7.15 0.00 -1.26 -3.35 105.19 109.56 1wis n GLY 44 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -2.36 -3.61 1.61 5.02 -1.26 -3.10 118.16 114.46 1wis n LYS 45 Ca 0.00 0.42 -0.02 0.00 -2.02 0.00 0.00 58.31 56.69 1wis n LYS 45 Cb 0.00 -4.95 -0.06 0.00 -0.02 0.00 0.00 35.03 29.99 1wis n LYS 45 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1wis s THR 46 N -2.37 -0.10 1.02 -0.18 -1.32 -1.26 -4.85 115.64 106.58 1wis s THR 46 Ca 0.00 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.35 1wis s THR 46 Cb 0.00 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.12 1wis s THR 46 CO 0.00 0.00 0.63 -1.20 -2.21 0.00 0.00 174.62 171.84 1wis n SER 47 N 3.96 -1.45 -4.80 8.08 7.64 -1.26 -4.79 113.62 120.99 1wis n SER 47 Ca -0.17 0.18 -0.37 0.00 1.01 0.00 0.00 58.87 59.52 1wis n SER 47 Cb 0.57 -1.24 -0.06 0.00 -1.01 0.00 0.00 64.21 62.47 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 -2.43 4.49 -0.16 0.44 -1.09 -1.26 -4.73 121.20 116.46 1wis s ILE 48 Ca 0.61 1.43 0.00 0.00 -2.23 0.00 0.00 60.65 60.46 1wis s ILE 48 Cb -0.21 -3.93 -0.23 0.00 -1.58 0.00 0.00 42.46 36.52 1wis s ILE 48 CO 0.64 0.27 0.19 -0.24 -1.23 0.00 0.00 174.94 174.57 1wis n SER 49 N 0.90 1.76 -3.64 3.58 2.88 0.19 -4.18 113.62 115.12 1wis n SER 49 Ca -0.03 0.11 -0.08 0.00 -1.33 0.00 0.00 58.87 57.54 1wis n SER 49 Cb 0.50 -0.48 -0.07 0.00 -0.75 0.00 0.00 64.21 63.42 1wis n SER 49 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1wis s ARG 50 N -2.55 0.55 0.09 -1.46 3.00 -1.16 -0.06 118.95 117.36 1wis s ARG 50 Ca -0.23 0.73 -0.10 0.00 -1.00 0.00 0.00 55.73 55.13 1wis s ARG 50 Cb 0.07 0.23 -0.06 0.00 0.00 0.00 0.00 34.95 35.19 1wis s ARG 50 CO 0.73 -0.08 0.41 -1.58 0.00 0.00 0.00 175.30 174.78 1wis s TRP 51 N 0.59 3.57 -0.16 5.12 0.52 0.15 -1.85 118.94 126.88 1wis s TRP 51 Ca -0.01 0.78 -0.04 0.00 0.02 0.00 0.00 56.10 56.86 1wis s TRP 51 Cb -0.05 -2.16 -0.03 0.00 -1.15 0.00 0.00 33.47 30.09 1wis s TRP 51 CO -0.08 0.50 -0.04 -1.17 0.02 0.00 0.00 176.95 176.18 1wis s LEU 52 N -2.00 3.22 -0.29 2.99 2.96 -1.11 -1.82 118.68 122.63 1wis s LEU 52 Ca 0.34 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1wis s LEU 52 Cb -0.14 -1.78 0.08 0.00 0.50 0.00 0.00 46.19 44.85 1wis s LEU 52 CO 0.19 0.15 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.65 1wis s VAL 53 N 0.45 2.05 0.55 1.68 1.01 0.25 -1.06 120.40 125.33 1wis s VAL 53 Ca -0.04 -1.83 0.09 0.00 0.00 0.00 0.00 61.98 60.20 1wis s VAL 53 Cb -0.14 -2.33 0.07 0.00 0.00 0.00 0.00 36.38 33.98 1wis s VAL 53 CO 0.03 -0.28 0.76 -1.61 0.00 0.00 0.00 175.10 174.00 1wis s GLU 54 N 1.10 2.37 -0.07 2.72 2.02 -1.25 -0.80 118.70 124.78 1wis s GLU 54 Ca -0.00 -1.52 -0.30 0.00 0.02 0.00 0.00 54.97 53.16 1wis s GLU 54 Cb -0.19 -2.65 0.11 0.00 0.10 0.00 0.00 34.13 31.50 1wis s GLU 54 CO -0.07 -0.79 0.95 0.00 0.02 0.00 0.00 175.26 175.37 1wis s ALA 55 N -2.64 -1.88 0.18 5.21 0.00 -1.00 -2.23 121.76 119.40 1wis s ALA 55 Ca 0.61 1.26 0.10 0.00 0.00 0.00 0.00 51.96 53.93 1wis s ALA 55 Cb -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1wis s ALA 55 CO 0.38 -0.56 -0.19 -0.65 0.00 0.00 0.00 175.76 174.74 1wis s GLN 56 N -2.40 1.70 -0.12 0.00 -0.21 -1.23 -3.96 119.66 113.44 1wis s GLN 56 Ca 0.03 -1.40 -0.21 0.00 0.02 0.00 0.00 55.36 53.80 1wis s GLN 56 Cb -0.01 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 32.00 1wis s GLN 56 CO -0.05 0.42 0.60 0.08 -2.12 0.00 0.00 175.29 174.23 1wis s VAL 57 N -1.58 5.09 0.00 1.09 1.01 -1.26 -3.18 120.40 121.56 1wis s VAL 57 Ca 0.21 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1wis s VAL 57 Cb -0.09 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1wis s VAL 57 CO 0.11 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1wis n GLY 58 N 3.36 0.50 3.45 4.51 0.00 0.36 -4.36 105.19 113.00 1wis n GLY 58 Ca -0.03 0.43 -0.45 0.00 0.00 0.00 0.00 46.02 45.97 1wis n GLY 58 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wis n VAL 59 N 0.00 0.00 -3.16 1.61 0.31 -1.26 -4.66 118.33 111.17 1wis n VAL 59 Ca 0.00 -0.07 -0.45 0.00 -0.01 0.00 0.00 64.34 63.81 1wis n VAL 59 Cb 0.00 -0.73 -0.00 0.00 -0.91 0.00 0.00 33.84 32.20 1wis n VAL 59 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wis s VAL 60 N 8.51 5.52 0.00 2.52 1.01 -1.26 -4.85 120.40 131.85 1wis s VAL 60 Ca 1.28 -2.94 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1wis s VAL 60 Cb -1.21 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 30.44 1wis s VAL 60 CO 0.51 -1.36 0.00 0.61 0.00 0.00 0.00 175.10 174.86 1wis n GLY 61 N 3.51 0.46 4.26 4.51 0.00 -1.26 -5.15 105.19 111.53 1wis n GLY 61 Ca 0.28 -1.10 0.05 0.00 0.00 0.00 0.00 46.02 45.25 1wis n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wis n GLU 62 N 0.00 -0.81 -1.03 1.61 -0.58 -1.26 -3.20 120.64 115.37 1wis n GLU 62 Ca 0.00 0.53 -0.25 0.00 -0.42 0.00 0.00 57.16 57.03 1wis n GLU 62 Cb 0.00 -0.99 -0.07 0.00 -0.57 0.00 0.00 31.44 29.81 1wis n GLU 62 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wis n GLY 63 N -1.27 3.46 3.87 0.62 0.00 -1.26 -4.85 105.19 105.76 1wis n GLY 63 Ca 0.00 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 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 2.08 2.34 0.23 1.61 0.41 -1.19 -5.14 118.70 119.04 1wis s GLU 64 Ca 0.59 -1.82 0.08 0.00 -0.41 0.00 0.00 54.97 53.41 1wis s GLU 64 Cb 0.20 -2.18 -0.04 0.00 -1.78 0.00 0.00 34.13 30.33 1wis s GLU 64 CO -0.03 -0.40 0.05 -1.83 -0.49 0.00 0.00 175.26 172.56 1wis s GLU 65 N -4.18 2.50 -0.37 1.61 -1.05 -1.26 -5.04 118.70 110.91 1wis s GLU 65 Ca 0.41 -1.22 -0.02 0.00 -0.15 0.00 0.00 54.97 53.99 1wis s GLU 65 Cb -0.02 -2.33 0.09 0.00 -0.44 0.00 0.00 34.13 31.44 1wis s GLU 65 CO 0.24 0.41 0.14 -1.58 0.95 0.00 0.00 175.26 175.41 1wis s TRP 66 N -2.08 3.54 0.25 4.83 0.52 -1.26 -4.86 118.94 119.88 1wis s TRP 66 Ca 0.30 -2.36 -0.03 0.00 0.02 0.00 0.00 56.10 54.04 1wis s TRP 66 Cb -0.08 -2.92 -0.05 0.00 -1.15 0.00 0.00 33.47 29.27 1wis s TRP 66 CO 0.21 -0.93 0.47 -0.51 0.02 0.00 0.00 176.95 176.21 1wis s LEU 67 N 1.14 4.14 0.60 2.99 1.43 -1.25 -4.90 118.68 122.83 1wis s LEU 67 Ca 0.05 0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 53.55 1wis s LEU 67 Cb -0.22 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 1wis s LEU 67 CO -0.04 -0.13 1.05 -0.22 0.23 0.00 0.00 176.35 177.24 1wis s LEU 68 N -3.48 3.45 0.00 1.79 2.96 -1.26 -2.37 118.68 119.77 1wis s LEU 68 Ca 0.41 1.74 0.00 0.00 -0.22 0.00 0.00 54.13 56.06 1wis s LEU 68 Cb -0.11 -4.52 0.00 0.00 0.50 0.00 0.00 46.19 42.06 1wis s LEU 68 CO 0.30 -1.13 0.00 2.30 -1.32 0.00 0.00 176.35 176.50 1wis n ILE 69 N -2.17 0.00 -4.47 6.68 -5.35 0.02 -4.85 119.36 109.22 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 -0.62 -0.14 0.00 -1.74 0.00 0.00 39.64 37.67 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 -1.83 1.17 -0.13 4.28 5.04 -0.33 -4.96 115.29 118.53 1wis s HIS 70 Ca 0.00 -0.28 -0.06 0.00 -1.54 0.00 0.00 55.06 53.18 1wis s HIS 70 Cb 0.00 -0.72 0.06 0.00 0.04 0.00 0.00 32.58 31.95 1wis s HIS 70 CO 0.00 0.00 0.29 1.14 -2.34 0.00 0.00 174.74 173.83 1wis s GLN 71 N -0.69 0.21 -0.27 2.88 -2.07 -1.26 0.85 119.66 119.31 1wis s GLN 71 Ca 0.03 0.69 -0.09 0.00 -1.82 0.00 0.00 55.36 54.18 1wis s GLN 71 Cb -0.06 -0.04 -0.03 0.00 -1.09 0.00 0.00 33.01 31.79 1wis s GLN 71 CO 0.00 -0.22 0.11 -1.17 -1.32 0.00 0.00 175.29 172.70 1wis s LEU 72 N 1.85 3.71 -0.08 2.60 2.96 -0.76 -4.92 118.68 124.05 1wis s LEU 72 Ca -0.04 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.62 1wis s LEU 72 Cb -0.11 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1wis s LEU 72 CO -0.09 -0.08 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.37 1wis s SER 73 N 1.64 4.82 -0.28 3.68 0.01 -1.26 0.35 113.70 122.65 1wis s SER 73 Ca 0.06 0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.32 1wis s SER 73 Cb -0.16 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.78 1wis s SER 73 CO 0.06 0.35 0.29 -3.20 0.41 0.00 0.00 173.24 171.15 1wis n ASN 74 N 2.29 -4.45 -2.66 2.44 5.15 0.92 -4.96 115.26 113.98 1wis n ASN 74 Ca -0.18 0.02 -0.04 0.00 -0.60 0.00 0.00 54.58 53.78 1wis n ASN 74 Cb 0.53 -2.82 0.08 0.00 -0.53 0.00 0.00 39.78 37.04 1wis n ASN 74 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wis n GLU 75 N -1.14 0.08 0.00 1.20 -0.58 -1.26 -4.99 120.64 113.94 1wis n GLU 75 Ca 0.01 -0.63 0.11 0.00 -0.42 0.00 0.00 57.16 56.23 1wis n GLU 75 Cb 0.44 -0.14 0.64 0.00 -0.57 0.00 0.00 31.44 31.81 1wis n GLU 75 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1wis n PRO 76 N 1.37 0.75 -0.71 3.49 -0.04 -1.26 -2.35 135.00 136.25 1wis n PRO 76 Ca -0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1wis n PRO 76 Cb 0.72 -1.45 0.19 0.00 -0.04 0.00 0.00 33.50 32.92 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 -0.95 1.74 -4.35 3.54 9.92 -1.26 -4.81 116.55 120.39 1wis n ASP 77 Ca 0.16 -3.76 -0.41 0.00 -0.53 0.00 0.00 54.79 50.25 1wis n ASP 77 Cb 0.07 -0.51 -0.11 0.00 -0.64 0.00 0.00 41.12 39.94 1wis n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wis s ALA 78 N -3.01 3.30 0.03 2.24 0.00 -0.99 -4.92 121.76 118.41 1wis s ALA 78 Ca 0.38 -1.86 0.10 0.00 0.00 0.00 0.00 51.96 50.58 1wis s ALA 78 Cb 0.37 -2.64 -0.17 0.00 0.00 0.00 0.00 23.12 20.67 1wis s ALA 78 CO -0.07 -1.49 1.13 0.00 0.00 0.00 0.00 175.76 175.33 1wis h ARG 79 N 8.45 0.00 -4.34 0.00 -0.00 -1.90 -3.48 114.38 113.11 1wis h ARG 79 Ca -0.25 0.00 -0.20 0.00 -0.50 0.00 0.00 59.98 59.03 1wis h ARG 79 Cb 1.10 0.00 -0.13 0.00 0.00 0.00 0.00 29.97 30.94 1wis h ARG 79 CO 0.71 0.77 -0.48 -1.54 0.00 0.00 0.00 179.97 179.43 1wis s SER 80 N -6.48 0.13 -0.04 7.04 1.04 -1.26 -1.66 113.70 112.48 1wis s SER 80 Ca -0.00 -1.28 -0.29 0.00 0.48 0.00 0.00 55.95 54.86 1wis s SER 80 Cb 0.09 0.44 0.11 0.00 0.10 0.00 0.00 66.02 66.76 1wis s SER 80 CO 0.81 -0.93 0.91 0.00 0.98 0.00 0.00 173.24 175.01 1wis s MET 81 N -4.09 0.77 0.14 4.02 0.23 -0.40 -4.97 119.30 115.00 1wis s MET 81 Ca 0.35 -0.20 -0.23 0.00 -1.03 0.00 0.00 55.69 54.58 1wis s MET 81 Cb 0.05 0.36 -0.08 0.00 -1.53 0.00 0.00 34.83 33.63 1wis s MET 81 CO 0.12 -0.32 0.70 -2.00 -2.03 0.00 0.00 175.02 171.48 1wis s GLU 82 N -2.67 4.41 -0.49 3.16 2.12 -1.26 -0.59 118.70 123.39 1wis s GLU 82 Ca 0.03 0.98 0.02 0.00 0.36 0.00 0.00 54.97 56.37 1wis s GLU 82 Cb -0.01 -3.22 0.13 0.00 0.26 0.00 0.00 34.13 31.29 1wis s GLU 82 CO -0.06 0.58 0.24 0.08 -0.54 0.00 0.00 175.26 175.56 1wis s VAL 83 N -1.17 2.75 0.00 3.70 1.01 0.52 -4.95 120.40 122.27 1wis s VAL 83 Ca 0.34 -2.95 0.00 0.00 0.00 0.00 0.00 61.98 59.37 1wis s VAL 83 Cb -0.21 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1wis s VAL 83 CO 0.23 -0.76 0.00 -0.81 0.00 0.00 0.00 175.10 173.76 1wis n PRO 84 N 3.54 0.39 -3.68 2.72 -0.04 -1.26 -3.11 135.00 133.55 1wis n PRO 84 Ca 0.05 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.28 1wis n PRO 84 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 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 -1.22 -5.36 -4.49 3.54 8.00 -1.00 -4.84 116.55 111.18 1wis n ASP 85 Ca 0.00 -0.84 -0.24 0.00 0.71 0.00 0.00 54.79 54.42 1wis n ASP 85 Cb 0.00 -2.45 -0.10 0.00 -0.02 0.00 0.00 41.12 38.55 1wis n ASP 85 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wis s LEU 86 N -5.11 2.63 -0.39 0.64 1.43 -0.72 -5.02 118.68 112.14 1wis s LEU 86 Ca 0.08 -1.06 -0.18 0.00 -1.03 0.00 0.00 54.13 51.93 1wis s LEU 86 Cb -0.04 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 45.11 1wis s LEU 86 CO 0.87 -0.02 0.49 0.20 0.23 0.00 0.00 176.35 178.13 1wis s ASN 87 N -3.54 6.25 0.37 2.29 0.01 -1.26 -4.68 114.94 114.39 1wis s ASN 87 Ca 0.31 -0.36 -0.25 0.00 -0.71 0.00 0.00 52.86 51.84 1wis s ASN 87 Cb -0.03 -2.25 -0.09 0.00 0.41 0.00 0.00 41.25 39.28 1wis s ASN 87 CO 0.15 -0.56 1.06 -2.16 -1.51 0.00 0.00 177.10 174.09 1wis s PRO 88 N 2.34 4.29 -1.47 -0.60 0.04 -1.25 -3.38 135.00 134.97 1wis s PRO 88 Ca 0.16 1.59 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 1wis s PRO 88 Cb -0.16 -2.72 0.01 0.00 0.04 0.00 0.00 34.50 31.67 1wis s PRO 88 CO 0.14 -0.05 0.70 0.34 0.04 0.00 0.00 177.00 178.17 1wis n PHE 89 N 0.28 -2.07 -3.78 0.56 7.35 -1.08 -4.94 117.46 113.77 1wis n PHE 89 Ca 0.03 0.60 -0.13 0.00 -0.76 0.00 0.00 57.45 57.19 1wis n PHE 89 Cb 0.48 -4.50 -0.12 0.00 0.35 0.00 0.00 39.48 35.70 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 -3.19 -0.01 0.12 -2.13 2.01 -1.22 -4.99 115.64 106.23 1wis s THR 90 Ca 0.34 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 1wis s THR 90 Cb -0.15 -0.36 -0.07 0.00 0.01 0.00 0.00 72.50 71.94 1wis s THR 90 CO 0.43 0.01 1.15 0.00 -0.69 0.00 0.00 174.62 175.52 1wis s TYR 92 N 0.45 0.00 0.45 0.00 1.51 -1.26 -0.49 117.35 118.01 1wis s TYR 92 Ca 0.54 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 56.28 1wis s TYR 92 Cb -0.30 0.14 -0.05 0.00 -0.11 0.00 0.00 41.96 41.64 1wis s TYR 92 CO 0.32 -0.69 0.02 -1.54 -1.11 0.00 0.00 175.55 172.56 1wis s SER 93 N -2.86 4.03 -0.23 2.29 1.04 -1.19 -4.20 113.70 112.58 1wis s SER 93 Ca 0.07 -1.47 -0.19 0.00 0.48 0.00 0.00 55.95 54.83 1wis s SER 93 Cb 0.03 -0.01 0.06 0.00 0.10 0.00 0.00 66.02 66.20 1wis s SER 93 CO -0.09 -0.63 0.60 -0.36 0.98 0.00 0.00 173.24 173.74 1wis s PHE 94 N -2.78 -0.72 0.03 5.02 0.08 -1.26 -3.47 117.98 114.89 1wis s PHE 94 Ca 0.23 1.67 0.00 0.00 0.12 0.00 0.00 56.93 58.96 1wis s PHE 94 Cb 0.06 0.29 -0.00 0.00 -0.57 0.00 0.00 43.02 42.80 1wis s PHE 94 CO 0.12 -0.35 0.00 2.89 -0.10 0.00 0.00 175.22 177.78 1wis n ARG 95 N 3.11 1.40 -4.07 0.44 1.85 -0.94 -2.44 116.66 116.01 1wis n ARG 95 Ca -0.15 -0.22 -0.07 0.00 -1.00 0.00 0.00 57.85 56.40 1wis n ARG 95 Cb 0.56 0.09 -0.10 0.00 -1.05 0.00 0.00 32.46 31.97 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 -2.11 0.64 0.23 2.89 -1.94 -1.26 -3.86 119.30 113.89 1wis s MET 96 Ca 0.01 -1.20 -0.16 0.00 -1.71 0.00 0.00 55.69 52.63 1wis s MET 96 Cb 0.00 0.22 0.01 0.00 2.01 0.00 0.00 34.83 37.08 1wis s MET 96 CO 0.00 -0.13 0.53 1.03 -0.01 0.00 0.00 175.02 176.45 1wis s ARG 97 N -3.92 1.51 -0.04 2.03 0.52 -0.22 -3.74 118.95 115.10 1wis s ARG 97 Ca 0.07 -1.04 0.02 0.00 -0.52 0.00 0.00 55.73 54.26 1wis s ARG 97 Cb 0.08 0.51 0.01 0.00 0.52 0.00 0.00 34.95 36.07 1wis s ARG 97 CO -0.10 -0.64 -0.09 -0.65 0.02 0.00 0.00 175.30 173.83 1wis s GLN 98 N -3.94 1.08 -0.11 3.54 -0.21 -1.26 -2.77 119.66 116.00 1wis s GLN 98 Ca 0.15 -0.30 0.02 0.00 0.02 0.00 0.00 55.36 55.25 1wis s GLN 98 Cb -0.02 -0.99 0.01 0.00 1.00 0.00 0.00 33.01 33.02 1wis s GLN 98 CO 0.04 0.07 -0.18 0.08 -2.12 0.00 0.00 175.29 173.18 1wis s VAL 99 N 0.37 1.66 0.38 1.09 1.01 -0.77 0.95 120.40 125.09 1wis s VAL 99 Ca -0.06 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1wis s VAL 99 Cb -0.11 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1wis s VAL 99 CO 0.01 0.47 0.23 -0.46 0.00 0.00 0.00 175.10 175.35 1wis n ASN 100 N 3.98 0.20 0.20 3.32 0.23 0.25 0.57 115.26 124.01 1wis n ASN 100 Ca -0.20 -3.26 0.12 0.00 -0.53 0.00 0.00 54.58 50.72 1wis n ASN 100 Cb 0.52 1.42 0.67 0.00 -2.08 0.00 0.00 39.78 40.30 1wis n ASN 100 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1wis h ILE 101 N 1.91 0.00 0.00 1.53 6.09 -1.93 -2.69 117.51 122.42 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 1.25 0.54 0.00 0.00 0.47 0.00 0.00 36.82 39.08 1wis h ILE 101 CO 0.43 0.00 -0.01 0.58 -3.07 0.00 0.00 178.15 176.09 1wis h VAL 102 N 0.00 0.00 0.00 2.19 2.07 -1.89 -3.51 116.25 115.11 1wis h VAL 102 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1wis h VAL 102 Cb 0.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1wis h VAL 102 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1wis n GLY 103 N 1.94 2.21 3.22 2.17 0.00 -1.02 -5.01 105.19 108.70 1wis n GLY 103 Ca -0.00 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 0.04 1.57 0.65 2.61 2.01 -1.26 -0.58 115.64 120.69 1wis s THR 104 Ca 0.00 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 60.82 1wis s THR 104 Cb 0.00 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.14 1wis s THR 104 CO 0.00 0.26 1.05 -0.94 -0.69 0.00 0.00 174.62 174.29 1wis s SER 105 N -0.95 5.75 1.01 3.53 1.04 0.27 -4.92 113.70 119.43 1wis s SER 105 Ca 0.07 1.58 -0.15 0.00 0.48 0.00 0.00 55.95 57.92 1wis s SER 105 Cb -0.08 -2.49 0.20 0.00 0.10 0.00 0.00 66.02 63.74 1wis s SER 105 CO 0.01 -1.19 1.18 -2.16 0.98 0.00 0.00 173.24 172.06 1wis s PRO 106 N -4.93 0.35 0.05 4.02 0.04 -1.26 -4.54 135.00 128.72 1wis s PRO 106 Ca 0.58 -0.00 -0.30 0.00 0.04 0.00 0.00 61.00 61.31 1wis s PRO 106 Cb -0.13 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1wis s PRO 106 CO 0.51 -2.68 1.17 -1.25 0.04 0.00 0.00 177.00 174.80 1wis s PRO 107 N -5.49 4.45 0.52 0.56 0.04 -1.26 -4.73 135.00 129.10 1wis s PRO 107 Ca 0.69 1.72 0.01 0.00 0.04 0.00 0.00 61.00 63.45 1wis s PRO 107 Cb -0.10 -3.37 0.02 0.00 0.04 0.00 0.00 34.50 31.09 1wis s PRO 107 CO 0.54 -0.23 0.74 0.45 0.04 0.00 0.00 177.00 178.54 1wis s SER 108 N 1.07 5.41 0.24 6.66 0.15 -1.25 -5.02 113.70 120.95 1wis s SER 108 Ca 0.58 0.04 -0.31 0.00 0.70 0.00 0.00 55.95 56.96 1wis s SER 108 Cb -0.28 -1.01 -0.14 0.00 -1.71 0.00 0.00 66.02 62.88 1wis s SER 108 CO 0.29 -1.03 1.26 0.00 1.20 0.00 0.00 173.24 174.95 1wis n GLN 109 N -2.27 1.67 -2.40 5.44 1.13 -1.26 -4.72 117.38 114.96 1wis n GLN 109 Ca 0.06 0.59 -0.34 0.00 -1.94 0.00 0.00 57.00 55.38 1wis n GLN 109 Cb 0.59 -2.15 -0.02 0.00 0.11 0.00 0.00 30.24 28.77 1wis n GLN 109 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1wis s PRO 110 N -0.73 3.68 0.38 -1.09 0.04 -1.26 -4.81 135.00 131.21 1wis s PRO 110 Ca 0.67 1.30 -0.24 0.00 0.04 0.00 0.00 61.00 62.77 1wis s PRO 110 Cb -0.71 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.65 1wis s PRO 110 CO 0.53 -0.52 1.00 -1.54 0.04 0.00 0.00 177.00 176.51 1wis s SER 111 N -2.25 6.96 0.64 6.66 1.04 -1.02 -4.98 113.70 120.75 1wis s SER 111 Ca 0.66 1.92 -0.17 0.00 0.48 0.00 0.00 55.95 58.84 1wis s SER 111 Cb -0.16 -2.58 -0.11 0.00 0.10 0.00 0.00 66.02 63.28 1wis s SER 111 CO 0.25 -0.34 0.10 -2.11 0.98 0.00 0.00 173.24 172.12 1wis n ARG 112 N 0.03 0.18 -1.99 4.02 1.85 -1.26 -4.61 116.66 114.88 1wis n ARG 112 Ca 0.04 0.08 -0.41 0.00 -1.00 0.00 0.00 57.85 56.56 1wis n ARG 112 Cb 0.50 -1.37 -0.02 0.00 -1.05 0.00 0.00 32.46 30.52 1wis n ARG 112 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1wis s LYS 113 N -1.84 4.26 0.38 2.89 2.20 -1.26 -4.95 119.74 121.42 1wis s LYS 113 Ca 0.59 2.33 0.05 0.00 -0.36 0.00 0.00 55.97 58.58 1wis s LYS 113 Cb -0.40 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 1wis s LYS 113 CO 0.64 -0.41 0.17 0.44 -0.36 0.00 0.00 175.35 175.83 1wis n ILE 114 N 1.96 0.00 -3.91 5.43 -6.64 -1.26 -5.08 119.36 109.87 1wis n ILE 114 Ca 0.05 -2.34 -0.25 0.00 -1.77 0.00 0.00 62.75 58.45 1wis n ILE 114 Cb 0.40 0.91 -0.17 0.00 -1.44 0.00 0.00 39.64 39.34 1wis n ILE 114 CO 0.00 0.00 0.00 -1.58 -1.77 0.00 0.00 176.55 173.20 1wis s GLN 115 N -3.48 1.12 0.45 6.28 0.74 -1.26 -4.23 119.66 119.29 1wis s GLN 115 Ca 0.24 -0.11 -0.22 0.00 0.05 0.00 0.00 55.36 55.33 1wis s GLN 115 Cb 0.01 -1.28 -0.09 0.00 1.10 0.00 0.00 33.01 32.75 1wis s GLN 115 CO 0.17 -0.25 1.04 0.95 -0.55 0.00 0.00 175.29 176.65 1wis s THR 116 N 1.70 3.80 1.10 -0.34 -4.23 -1.26 -4.97 115.64 111.45 1wis s THR 116 Ca 0.03 1.21 -0.16 0.00 -1.18 0.00 0.00 61.69 61.59 1wis s THR 116 Cb -0.13 -3.54 0.24 0.00 1.34 0.00 0.00 72.50 70.42 1wis s THR 116 CO -0.06 -0.16 1.10 -0.76 -0.54 0.00 0.00 174.62 174.20 1wis s LEU 117 N -3.18 1.14 0.28 4.79 1.43 -0.70 -2.65 118.68 119.79 1wis s LEU 117 Ca 0.64 0.91 -0.21 0.00 -1.03 0.00 0.00 54.13 54.43 1wis s LEU 117 Cb -0.18 -2.87 -0.09 0.00 0.03 0.00 0.00 46.19 43.08 1wis s LEU 117 CO 0.22 -3.63 0.82 -1.10 0.23 0.00 0.00 176.35 172.89 1wis s GLN 118 N -5.17 4.34 -0.88 1.70 -0.21 -1.26 -3.26 119.66 114.91 1wis s GLN 118 Ca 0.68 1.03 -0.19 0.00 0.02 0.00 0.00 55.36 56.89 1wis s GLN 118 Cb -0.14 -2.75 0.12 0.00 1.00 0.00 0.00 33.01 31.23 1wis s GLN 118 CO 0.57 0.30 1.09 0.45 -2.12 0.00 0.00 175.29 175.57 1wis s SER 119 N -1.74 6.55 0.00 5.90 0.15 -1.26 -4.74 113.70 118.56 1wis s SER 119 Ca 0.48 -1.89 0.00 0.00 0.70 0.00 0.00 55.95 55.24 1wis s SER 119 Cb -0.16 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1wis s SER 119 CO 0.21 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 174.15 1wis n GLY 120 N 5.45 -2.19 3.76 9.45 0.00 -1.26 -5.16 105.19 115.25 1wis n GLY 120 Ca 0.19 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.91 -0.45 0.24 1.61 0.04 -1.26 -5.10 135.00 128.17 1wis s PRO 121 Ca 0.00 -0.31 -0.17 0.00 0.04 0.00 0.00 61.00 60.56 1wis s PRO 121 Cb 0.00 -1.71 0.01 0.00 0.04 0.00 0.00 34.50 32.84 1wis s PRO 121 CO 0.00 -3.16 0.57 0.45 0.04 0.00 0.00 177.00 174.90 1wis s SER 122 N -4.46 -0.20 -0.29 6.66 0.15 -1.26 -5.09 113.70 109.22 1wis s SER 122 Ca 0.74 -0.69 -0.21 0.00 0.70 0.00 0.00 55.95 56.48 1wis s SER 122 Cb -0.06 0.63 0.15 0.00 -1.71 0.00 0.00 66.02 65.04 1wis s SER 122 CO 0.55 -1.18 1.14 -0.55 1.20 0.00 0.00 173.24 174.39 1wis s SER 123 N -2.94 -0.33 0.00 5.45 0.15 -1.26 -5.33 113.70 109.44 1wis s SER 123 Ca 0.15 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1wis s SER 123 Cb -0.03 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 1wis s SER 123 CO 0.05 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.00