#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 n SER 2 N 0.00 3.59 -3.62 1.61 3.41 -1.26 -4.94 113.62 112.41 2cr5 n SER 2 Ca 0.00 0.96 -0.11 0.00 -0.26 0.00 0.00 58.87 59.45 2cr5 n SER 2 Cb 0.00 -1.40 -0.07 0.00 -0.26 0.00 0.00 64.21 62.48 2cr5 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cr5 s SER 3 N 4.17 -0.56 -0.30 4.04 1.04 -1.26 -5.14 113.70 115.69 2cr5 s SER 3 Ca 0.92 1.03 0.01 0.00 0.48 0.00 0.00 55.95 58.40 2cr5 s SER 3 Cb -0.65 1.03 0.09 0.00 0.10 0.00 0.00 66.02 66.59 2cr5 s SER 3 CO 0.50 -0.23 0.03 -0.83 0.98 0.00 0.00 173.24 173.70 2cr5 s GLY 4 N 0.10 1.46 -0.09 7.32 0.00 -1.26 -5.09 107.32 109.76 2cr5 s GLY 4 Ca 0.01 -1.90 -0.31 0.00 0.00 0.00 0.00 44.72 42.52 2cr5 s GLY 4 CO -0.02 1.16 1.02 -1.35 0.00 0.00 0.00 173.10 173.91 2cr5 s SER 5 N 1.29 -0.27 0.06 1.64 1.04 -1.26 -5.06 113.70 111.14 2cr5 s SER 5 Ca 0.06 0.02 -0.22 0.00 0.48 0.00 0.00 55.95 56.28 2cr5 s SER 5 Cb -0.18 0.28 -0.14 0.00 0.10 0.00 0.00 66.02 66.08 2cr5 s SER 5 CO -0.13 -0.45 1.55 0.77 0.98 0.00 0.00 173.24 175.96 2cr5 h SER 6 N 2.02 0.13 -4.28 7.02 4.64 -2.02 -3.44 113.55 117.62 2cr5 h SER 6 Ca -0.17 -0.22 -0.51 0.00 -0.47 0.00 0.00 61.79 60.43 2cr5 h SER 6 Cb 1.21 -0.03 0.12 0.00 -0.31 0.00 0.00 62.40 63.38 2cr5 h SER 6 CO 0.28 0.31 0.33 -0.83 -0.87 0.00 0.00 176.83 176.04 2cr5 s GLY 7 N -2.72 1.66 -0.37 -0.77 0.00 -1.26 -4.99 107.32 98.87 2cr5 s GLY 7 Ca -0.14 0.10 0.06 0.00 0.00 0.00 0.00 44.72 44.74 2cr5 s GLY 7 CO 0.69 0.46 1.14 1.18 0.00 0.00 0.00 173.10 176.58 2cr5 n GLU 8 N -3.45 3.45 -4.92 2.90 1.02 -1.26 -5.03 120.64 113.36 2cr5 n GLU 8 Ca 0.08 -4.32 -0.27 0.00 -0.02 0.00 0.00 57.16 52.64 2cr5 n GLU 8 Cb 0.54 -2.24 -0.16 0.00 -0.02 0.00 0.00 31.44 29.56 2cr5 n GLU 8 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2cr5 s VAL 9 N -5.04 1.52 0.88 2.62 0.11 -1.26 -5.14 120.40 114.09 2cr5 s VAL 9 Ca 0.49 -0.79 -0.11 0.00 -2.93 0.00 0.00 61.98 58.63 2cr5 s VAL 9 Cb 0.40 -1.28 0.12 0.00 -1.53 0.00 0.00 36.38 34.09 2cr5 s VAL 9 CO -0.08 0.43 1.09 -2.16 -3.33 0.00 0.00 175.10 171.06 2cr5 s PRO 10 N -0.20 1.39 0.06 1.54 0.04 -1.26 -5.07 135.00 131.51 2cr5 s PRO 10 Ca 0.01 0.86 0.08 0.00 0.04 0.00 0.00 61.00 61.99 2cr5 s PRO 10 Cb -0.10 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2cr5 s PRO 10 CO 0.01 -2.16 -0.18 -0.51 0.04 0.00 0.00 177.00 174.20 2cr5 s ASP 11 N -3.42 3.81 -0.01 6.66 1.11 -1.26 -5.04 116.67 118.51 2cr5 s ASP 11 Ca 0.63 -0.47 -0.06 0.00 0.18 0.00 0.00 52.55 52.83 2cr5 s ASP 11 Cb -0.18 -0.58 -0.05 0.00 1.07 0.00 0.00 42.92 43.18 2cr5 s ASP 11 CO 0.57 0.23 0.24 -0.76 1.18 0.00 0.00 175.17 176.63 2cr5 s LEU 12 N -1.65 4.38 0.38 1.23 1.43 -1.26 -5.08 118.68 118.11 2cr5 s LEU 12 Ca 0.16 0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 53.51 2cr5 s LEU 12 Cb -0.10 -2.58 -0.09 0.00 0.03 0.00 0.00 46.19 43.45 2cr5 s LEU 12 CO 0.07 0.28 1.19 -2.16 0.23 0.00 0.00 176.35 175.96 2cr5 s PRO 13 N -1.68 4.13 -0.60 1.29 0.04 -1.26 -4.85 135.00 132.06 2cr5 s PRO 13 Ca 0.26 1.92 -0.36 0.00 0.04 0.00 0.00 61.00 62.85 2cr5 s PRO 13 Cb -0.13 -2.77 -0.17 0.00 0.04 0.00 0.00 34.50 31.47 2cr5 s PRO 13 CO 0.15 -0.28 2.35 -0.85 0.04 0.00 0.00 177.00 178.41 2cr5 n GLU 14 N 0.26 0.41 -1.55 4.56 0.28 -1.26 -4.81 120.64 118.53 2cr5 n GLU 14 Ca 0.03 0.08 -0.42 0.00 -0.16 0.00 0.00 57.16 56.69 2cr5 n GLU 14 Cb 0.45 -1.97 0.00 0.00 1.43 0.00 0.00 31.44 31.36 2cr5 n GLU 14 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2cr5 n GLU 15 N 8.15 1.03 -2.10 3.44 4.71 -1.26 -4.92 120.64 129.68 2cr5 n GLU 15 Ca 0.53 0.37 -0.34 0.00 -0.01 0.00 0.00 57.16 57.70 2cr5 n GLU 15 Cb 0.12 -1.78 0.02 0.00 -1.01 0.00 0.00 31.44 28.78 2cr5 n GLU 15 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2cr5 s PRO 16 N -1.75 3.18 0.39 3.49 0.04 -1.26 -5.02 135.00 134.06 2cr5 s PRO 16 Ca 0.63 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 62.99 2cr5 s PRO 16 Cb -0.61 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 31.83 2cr5 s PRO 16 CO 0.58 -0.97 0.91 -1.54 0.04 0.00 0.00 177.00 176.01 2cr5 s SER 17 N -2.05 6.99 0.44 6.66 1.04 -1.26 -4.85 113.70 120.68 2cr5 s SER 17 Ca 0.71 1.65 0.26 0.00 0.48 0.00 0.00 55.95 59.04 2cr5 s SER 17 Cb -0.23 -2.52 1.29 0.00 0.10 0.00 0.00 66.02 64.67 2cr5 s SER 17 CO 0.32 -0.28 1.75 1.05 0.98 0.00 0.00 173.24 177.06 2cr5 h GLU 18 N 2.22 0.22 0.00 4.02 9.09 -2.01 0.89 114.58 129.00 2cr5 h GLU 18 Ca -0.48 -0.01 -0.15 0.00 0.05 0.00 0.00 59.36 58.76 2cr5 h GLU 18 Cb 1.18 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 28.21 2cr5 h GLU 18 CO 0.62 0.15 -0.79 1.79 0.05 0.00 0.00 179.01 180.83 2cr5 h THR 19 N 0.23 1.07 -0.77 -1.06 1.35 -2.00 -3.46 112.91 108.26 2cr5 h THR 19 Ca 0.64 -2.56 -0.81 0.00 -0.55 0.00 0.00 66.41 63.13 2cr5 h THR 19 Cb 1.95 2.50 -0.01 0.00 -1.73 0.00 0.00 68.15 70.86 2cr5 h THR 19 CO -0.24 0.61 0.98 0.00 -0.25 0.00 0.00 175.52 176.61 2cr5 n ALA 20 N -2.29 -0.51 -1.32 6.62 0.00 0.31 -4.87 120.51 118.44 2cr5 n ALA 20 Ca -0.00 0.34 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 2cr5 n ALA 20 Cb 0.82 -2.06 0.08 0.00 0.00 0.00 0.00 19.45 18.29 2cr5 n ALA 20 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2cr5 s GLU 21 N 4.27 2.32 -1.24 0.00 0.41 -1.26 -3.55 118.70 119.66 2cr5 s GLU 21 Ca 1.09 1.43 -0.08 0.00 -0.41 0.00 0.00 54.97 57.00 2cr5 s GLU 21 Cb -1.39 -1.89 0.01 0.00 -1.78 0.00 0.00 34.13 29.08 2cr5 s GLU 21 CO 0.72 -1.63 1.08 0.39 -0.49 0.00 0.00 175.26 175.34 2cr5 n GLU 22 N -2.96 -7.29 -4.36 1.61 1.02 -1.26 -4.96 120.64 102.44 2cr5 n GLU 22 Ca 0.11 0.76 -0.19 0.00 -0.02 0.00 0.00 57.16 57.82 2cr5 n GLU 22 Cb 0.52 -5.60 -0.14 0.00 -0.02 0.00 0.00 31.44 26.20 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2cr5 s VAL 23 N -3.29 0.91 0.25 2.62 1.01 -1.23 -2.02 120.40 118.65 2cr5 s VAL 23 Ca 0.53 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.82 2cr5 s VAL 23 Cb -0.23 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 2cr5 s VAL 23 CO 0.67 0.06 -0.07 0.68 0.00 0.00 0.00 175.10 176.44 2cr5 s VAL 24 N -0.63 1.58 -0.22 2.92 -7.23 -0.47 -4.96 120.40 111.40 2cr5 s VAL 24 Ca 0.01 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.00 2cr5 s VAL 24 Cb -0.06 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 2cr5 s VAL 24 CO 0.00 -0.38 -0.00 -0.89 -0.31 0.00 0.00 175.10 173.53 2cr5 s THR 25 N -3.06 3.77 -0.23 5.32 2.01 -1.26 -0.27 115.64 121.93 2cr5 s THR 25 Ca 0.28 -0.36 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 2cr5 s THR 25 Cb 0.03 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.83 2cr5 s THR 25 CO 0.10 0.40 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.67 2cr5 s VAL 26 N 1.39 2.89 -0.57 3.82 1.01 -0.74 -2.25 120.40 125.96 2cr5 s VAL 26 Ca 0.05 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 60.93 2cr5 s VAL 26 Cb -0.15 -2.40 0.06 0.00 0.00 0.00 0.00 36.38 33.89 2cr5 s VAL 26 CO 0.00 0.30 0.82 0.00 0.00 0.00 0.00 175.10 176.23 2cr5 s ALA 27 N 1.36 3.24 -0.54 5.51 0.00 -0.90 -2.96 121.76 127.48 2cr5 s ALA 27 Ca 0.02 -1.63 -0.25 0.00 0.00 0.00 0.00 51.96 50.10 2cr5 s ALA 27 Cb -0.15 -3.62 0.04 0.00 0.00 0.00 0.00 23.12 19.38 2cr5 s ALA 27 CO -0.05 -2.35 0.98 -1.17 0.00 0.00 0.00 175.76 173.17 2cr5 s LEU 28 N 3.44 3.97 -0.16 0.00 2.96 0.26 -1.15 118.68 127.99 2cr5 s LEU 28 Ca 0.22 -0.17 -0.27 0.00 -0.22 0.00 0.00 54.13 53.68 2cr5 s LEU 28 Cb -0.17 -2.97 -0.01 0.00 0.50 0.00 0.00 46.19 43.55 2cr5 s LEU 28 CO 0.14 -1.23 0.94 -0.13 -1.32 0.00 0.00 176.35 174.74 2cr5 s ARG 29 N 4.08 4.32 0.43 1.98 0.52 0.63 -1.20 118.95 129.72 2cr5 s ARG 29 Ca 0.34 1.21 -0.18 0.00 -0.52 0.00 0.00 55.73 56.58 2cr5 s ARG 29 Cb -0.11 -3.58 -0.10 0.00 0.52 0.00 0.00 34.95 31.68 2cr5 s ARG 29 CO 0.22 -0.40 0.91 0.00 0.02 0.00 0.00 175.30 176.05 2cr5 n PRO 31 N -0.85 0.45 0.03 0.00 -0.04 -1.24 -2.14 135.00 131.21 2cr5 n PRO 31 Ca 0.06 0.02 0.05 0.00 -0.04 0.00 0.00 63.50 63.59 2cr5 n PRO 31 Cb 0.54 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 2cr5 n PRO 31 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2cr5 n ASN 32 N -1.04 0.59 0.00 3.54 2.85 -1.26 -4.98 115.26 114.95 2cr5 n ASN 32 Ca 0.11 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 2cr5 n ASN 32 Cb 0.06 0.72 0.00 0.00 1.24 0.00 0.00 39.78 41.80 2cr5 n ASN 32 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2cr5 n GLY 33 N 1.34 1.77 3.87 8.20 0.00 -0.91 -5.12 105.19 114.33 2cr5 n GLY 33 Ca -0.08 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 2cr5 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr5 s ARG 34 N 0.00 3.39 -0.05 1.61 0.52 -1.26 -4.81 118.95 118.35 2cr5 s ARG 34 Ca 0.00 0.71 -0.01 0.00 -0.52 0.00 0.00 55.73 55.91 2cr5 s ARG 34 Cb 0.00 -2.06 0.03 0.00 0.52 0.00 0.00 34.95 33.44 2cr5 s ARG 34 CO 0.00 -0.71 0.02 0.54 0.02 0.00 0.00 175.30 175.17 2cr5 s VAL 35 N -3.20 0.14 -0.03 3.52 0.11 -1.26 0.25 120.40 119.93 2cr5 s VAL 35 Ca 0.56 0.23 -0.15 0.00 -2.93 0.00 0.00 61.98 59.69 2cr5 s VAL 35 Cb -0.11 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.36 2cr5 s VAL 35 CO 0.54 0.20 0.41 -0.76 -3.33 0.00 0.00 175.10 172.16 2cr5 s LEU 36 N 1.83 4.43 -0.19 2.54 1.02 -0.34 -4.90 118.68 123.07 2cr5 s LEU 36 Ca 0.02 0.92 -0.03 0.00 0.02 0.00 0.00 54.13 55.05 2cr5 s LEU 36 Cb -0.12 -2.59 -0.02 0.00 0.02 0.00 0.00 46.19 43.47 2cr5 s LEU 36 CO -0.04 0.26 -0.05 -0.13 0.02 0.00 0.00 176.35 176.42 2cr5 s ARG 37 N -0.72 3.49 0.01 1.70 0.52 -1.26 -0.57 118.95 122.12 2cr5 s ARG 37 Ca 0.24 -0.59 -0.03 0.00 -0.52 0.00 0.00 55.73 54.82 2cr5 s ARG 37 Cb -0.16 -2.94 -0.01 0.00 0.52 0.00 0.00 34.95 32.35 2cr5 s ARG 37 CO 0.12 0.01 0.05 0.50 0.02 0.00 0.00 175.30 176.00 2cr5 s ARG 38 N 0.96 0.38 0.27 3.54 3.52 -1.16 -5.03 118.95 121.44 2cr5 s ARG 38 Ca -0.00 -0.49 -0.15 0.00 -0.13 0.00 0.00 55.73 54.96 2cr5 s ARG 38 Cb -0.15 0.15 -0.08 0.00 -1.56 0.00 0.00 34.95 33.31 2cr5 s ARG 38 CO 0.01 -0.08 0.68 1.03 -0.81 0.00 0.00 175.30 176.13 2cr5 s ARG 39 N -1.38 4.00 -0.12 5.12 0.52 -1.26 -1.79 118.95 124.04 2cr5 s ARG 39 Ca -0.15 0.60 -0.05 0.00 -0.52 0.00 0.00 55.73 55.61 2cr5 s ARG 39 Cb -0.09 -2.59 0.05 0.00 0.52 0.00 0.00 34.95 32.84 2cr5 s ARG 39 CO 0.00 0.26 0.26 -0.06 0.02 0.00 0.00 175.30 175.77 2cr5 s PHE 40 N -1.83 -0.37 1.33 -0.53 0.08 0.63 -4.63 117.98 112.67 2cr5 s PHE 40 Ca 0.49 0.87 -0.21 0.00 0.12 0.00 0.00 56.93 58.21 2cr5 s PHE 40 Cb -0.12 0.02 0.32 0.00 -0.57 0.00 0.00 43.02 42.67 2cr5 s PHE 40 CO 0.19 -0.28 0.73 1.19 -0.10 0.00 0.00 175.22 176.95 2cr5 n PHE 41 N 4.66 -3.23 -0.02 0.36 3.72 -1.26 -1.36 117.46 120.33 2cr5 n PHE 41 Ca -0.18 -0.54 -0.04 0.00 -0.05 0.00 0.00 57.45 56.64 2cr5 n PHE 41 Cb 0.52 -1.38 -0.12 0.00 -0.94 0.00 0.00 39.48 37.56 2cr5 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cr5 n LYS 42 N -4.62 0.64 0.08 -1.08 5.02 -0.85 -4.16 118.16 113.20 2cr5 n LYS 42 Ca 0.11 0.15 -0.05 0.00 -2.02 0.00 0.00 58.31 56.50 2cr5 n LYS 42 Cb 0.52 -1.71 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 2cr5 n LYS 42 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2cr5 h SER 43 N 0.00 0.00 -1.92 4.39 4.64 -1.93 -3.09 113.55 115.65 2cr5 h SER 43 Ca -0.28 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.44 2cr5 h SER 43 Cb 1.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 2cr5 h SER 43 CO 0.05 0.87 1.36 0.79 -0.87 0.00 0.00 176.83 179.03 2cr5 n TRP 44 N -3.43 2.08 -2.24 4.77 8.01 -1.26 -4.51 117.44 120.86 2cr5 n TRP 44 Ca -0.00 -0.09 -0.38 0.00 -1.31 0.00 0.00 57.50 55.71 2cr5 n TRP 44 Cb 0.85 -2.70 -0.02 0.00 -2.01 0.00 0.00 31.31 27.43 2cr5 n TRP 44 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 2cr5 s ASN 45 N 6.61 6.47 0.36 -0.99 3.84 -1.26 -2.44 114.94 127.54 2cr5 s ASN 45 Ca 0.98 2.41 0.30 0.00 0.21 0.00 0.00 52.86 56.77 2cr5 s ASN 45 Cb -0.51 -2.62 1.17 0.00 -0.55 0.00 0.00 41.25 38.74 2cr5 s ASN 45 CO 0.42 -0.71 1.13 -1.54 -2.79 0.00 0.00 177.10 173.60 2cr5 n SER 46 N 0.09 0.07 -0.14 -4.21 3.41 -1.26 -0.21 113.62 111.37 2cr5 n SER 46 Ca 0.04 0.85 -0.12 0.00 -0.26 0.00 0.00 58.87 59.38 2cr5 n SER 46 Cb 0.46 -0.42 -0.09 0.00 -0.26 0.00 0.00 64.21 63.90 2cr5 n SER 46 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2cr5 h GLN 47 N 0.00 -0.31 -1.19 4.33 5.75 -1.88 0.22 115.11 122.02 2cr5 h GLN 47 Ca 0.66 0.02 0.40 0.00 -0.15 0.00 0.00 58.65 59.58 2cr5 h GLN 47 Cb 2.42 0.07 -0.11 0.00 1.07 0.00 0.00 27.48 30.93 2cr5 h GLN 47 CO -0.16 -0.21 0.78 1.55 -2.65 0.00 0.00 178.83 178.14 2cr5 n VAL 48 N -5.03 -0.18 0.41 2.39 3.14 0.71 0.63 118.33 120.41 2cr5 n VAL 48 Ca -0.03 1.44 -0.18 0.00 -2.96 0.00 0.00 64.34 62.61 2cr5 n VAL 48 Cb 0.29 -2.37 -0.09 0.00 -1.06 0.00 0.00 33.84 30.61 2cr5 n VAL 48 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2cr5 h LEU 49 N 0.00 -0.86 -0.85 6.55 3.38 -0.70 -2.71 115.31 120.12 2cr5 h LEU 49 Ca 0.73 0.02 0.36 0.00 0.09 0.00 0.00 57.88 59.07 2cr5 h LEU 49 Cb 2.43 0.22 -0.15 0.00 0.09 0.00 0.00 40.66 43.25 2cr5 h LEU 49 CO -0.33 -0.59 0.46 0.18 0.09 0.00 0.00 178.44 178.24 2cr5 n LEU 50 N -5.52 0.30 0.30 1.67 4.77 0.21 0.44 117.00 119.16 2cr5 n LEU 50 Ca -0.14 1.41 -0.15 0.00 -0.03 0.00 0.00 56.01 57.09 2cr5 n LEU 50 Cb 0.41 -0.69 -0.08 0.00 -2.33 0.00 0.00 43.42 40.74 2cr5 n LEU 50 CO 0.38 -1.58 0.51 -0.78 -1.33 0.00 0.00 177.39 174.60 2cr5 h ASP 51 N 0.00 -0.64 -0.54 -1.43 3.58 -1.49 -2.22 116.42 113.68 2cr5 h ASP 51 Ca 0.72 -0.04 0.16 0.00 0.42 0.00 0.00 57.03 58.28 2cr5 h ASP 51 Cb 1.91 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 43.10 2cr5 h ASP 51 CO -0.65 -0.31 0.42 -0.25 -2.88 0.00 0.00 179.24 175.56 2cr5 h TRP 52 N -0.99 0.00 -0.08 0.28 7.01 0.12 0.20 115.95 122.50 2cr5 h TRP 52 Ca -0.08 0.00 -0.17 0.00 2.11 0.00 0.00 58.89 60.76 2cr5 h TRP 52 Cb 0.65 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.70 2cr5 h TRP 52 CO 0.00 0.00 -0.67 1.98 -2.79 0.00 0.00 178.44 176.96 2cr5 h MET 53 N 0.00 0.32 0.00 2.65 4.05 -0.85 -2.50 114.93 118.60 2cr5 h MET 53 Ca 0.26 -0.25 -0.16 0.00 -0.28 0.00 0.00 59.70 59.27 2cr5 h MET 53 Cb 1.08 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.91 2cr5 h MET 53 CO -0.00 0.88 -0.77 0.52 0.23 0.00 0.00 176.91 177.76 2cr5 h MET 54 N 0.23 0.00 -0.16 0.39 2.86 -0.04 -0.21 114.93 118.01 2cr5 h MET 54 Ca -0.02 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.49 2cr5 h MET 54 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2cr5 h MET 54 CO 0.11 0.77 -0.42 0.87 1.06 0.00 0.00 176.91 179.30 2cr5 h LYS 55 N 0.00 0.56 0.00 1.72 1.79 -1.11 -3.13 116.57 116.40 2cr5 h LYS 55 Ca -0.01 -0.40 -0.04 0.00 -2.18 0.00 0.00 60.65 58.03 2cr5 h LYS 55 Cb 1.50 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.21 2cr5 h LYS 55 CO 0.10 1.01 -0.20 -0.39 -1.08 0.00 0.00 179.45 178.90 2cr5 h VAL 56 N 0.21 1.03 0.00 0.50 -1.51 -1.52 -3.46 116.25 111.51 2cr5 h VAL 56 Ca -0.01 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 2cr5 h VAL 56 Cb 1.03 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 2cr5 h VAL 56 CO 0.09 0.19 0.00 0.61 -1.23 0.00 0.00 177.57 177.23 2cr5 n GLY 57 N -0.87 0.81 3.62 5.19 0.00 -1.17 -5.12 105.19 107.64 2cr5 n GLY 57 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 2cr5 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr5 s TYR 58 N 0.00 -1.24 0.79 1.61 2.02 -0.10 -5.00 117.35 115.43 2cr5 s TYR 58 Ca 0.00 2.16 -0.12 0.00 -0.37 0.00 0.00 57.07 58.74 2cr5 s TYR 58 Cb 0.00 0.74 0.07 0.00 -0.40 0.00 0.00 41.96 42.37 2cr5 s TYR 58 CO 0.00 -0.62 1.15 -1.58 -1.57 0.00 0.00 175.55 172.94 2cr5 s HIS 59 N 2.77 3.01 -0.10 2.71 2.46 -1.26 -2.04 115.29 122.84 2cr5 s HIS 59 Ca -0.06 0.84 -0.24 0.00 0.47 0.00 0.00 55.06 56.07 2cr5 s HIS 59 Cb -0.11 -3.37 -0.21 0.00 -0.13 0.00 0.00 32.58 28.76 2cr5 s HIS 59 CO -0.19 -1.67 0.83 1.57 -2.47 0.00 0.00 174.74 172.81 2cr5 h LYS 60 N -0.99 -0.04 -0.51 2.88 2.10 -1.89 0.10 116.57 118.23 2cr5 h LYS 60 Ca -0.46 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.16 2cr5 h LYS 60 Cb 1.31 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.62 2cr5 h LYS 60 CO 0.65 0.66 0.19 0.77 -2.00 0.00 0.00 179.45 179.72 2cr5 h SER 61 N -0.86 0.68 0.07 7.07 0.02 -2.02 -3.04 113.55 115.46 2cr5 h SER 61 Ca -0.00 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 2cr5 h SER 61 Cb 0.72 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.10 2cr5 h SER 61 CO 0.01 0.63 -0.52 -0.07 -1.14 0.00 0.00 176.83 175.74 2cr5 h LEU 62 N 0.73 0.34 -8.35 5.07 3.38 -1.97 -3.42 115.31 111.10 2cr5 h LEU 62 Ca 0.17 -0.90 -0.63 0.00 0.09 0.00 0.00 57.88 56.62 2cr5 h LEU 62 Cb 0.17 -0.11 -0.31 0.00 0.09 0.00 0.00 40.66 40.50 2cr5 h LEU 62 CO -0.01 1.21 -0.86 -0.31 0.09 0.00 0.00 178.44 178.55 2cr5 s TYR 63 N -2.64 2.10 0.50 1.13 1.51 0.36 -1.89 117.35 118.42 2cr5 s TYR 63 Ca -0.15 -0.64 0.05 0.00 -1.01 0.00 0.00 57.07 55.32 2cr5 s TYR 63 Cb 0.00 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.46 2cr5 s TYR 63 CO 0.79 -0.21 0.26 -0.98 -1.11 0.00 0.00 175.55 174.30 2cr5 s ARG 64 N -0.02 2.25 0.17 -0.62 1.70 -0.10 -3.84 118.95 118.49 2cr5 s ARG 64 Ca -0.05 -2.03 0.07 0.00 -0.47 0.00 0.00 55.73 53.25 2cr5 s ARG 64 Cb -0.13 -1.96 -0.04 0.00 -0.57 0.00 0.00 34.95 32.25 2cr5 s ARG 64 CO 0.03 -0.41 0.01 -0.51 -1.08 0.00 0.00 175.30 173.34 2cr5 s LEU 65 N -4.09 3.37 0.28 -1.89 1.43 -1.26 -2.29 118.68 114.22 2cr5 s LEU 65 Ca 0.31 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 52.88 2cr5 s LEU 65 Cb 0.00 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.21 2cr5 s LEU 65 CO 0.18 0.09 0.62 -0.55 0.23 0.00 0.00 176.35 176.92 2cr5 s SER 66 N -2.94 -0.13 0.54 2.29 0.15 -0.11 -2.35 113.70 111.15 2cr5 s SER 66 Ca 0.28 -0.81 0.09 0.00 0.70 0.00 0.00 55.95 56.21 2cr5 s SER 66 Cb -0.09 0.68 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 2cr5 s SER 66 CO 0.19 -1.29 0.70 0.42 1.20 0.00 0.00 173.24 174.46 2cr5 s THR 67 N -3.81 2.28 0.54 6.45 -4.23 -0.81 -0.09 115.64 115.97 2cr5 s THR 67 Ca 0.17 -1.06 -0.09 0.00 -1.18 0.00 0.00 61.69 59.53 2cr5 s THR 67 Cb -0.04 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 2cr5 s THR 67 CO 0.09 0.00 0.91 -0.44 -0.54 0.00 0.00 174.62 174.63 2cr5 s SER 68 N -4.55 6.29 -0.28 3.99 0.01 -1.18 -3.94 113.70 114.05 2cr5 s SER 68 Ca 0.58 1.21 -0.39 0.00 1.31 0.00 0.00 55.95 58.66 2cr5 s SER 68 Cb -0.06 -2.37 -0.17 0.00 0.21 0.00 0.00 66.02 63.62 2cr5 s SER 68 CO 0.36 -0.70 1.22 2.22 0.41 0.00 0.00 173.24 176.75 2cr5 n PHE 69 N -2.36 1.17 -2.18 2.43 -1.74 -1.26 -3.51 117.46 110.01 2cr5 n PHE 69 Ca 0.04 0.97 -0.42 0.00 -0.56 0.00 0.00 57.45 57.47 2cr5 n PHE 69 Cb 0.54 -1.89 -0.03 0.00 1.52 0.00 0.00 39.48 39.63 2cr5 n PHE 69 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 2cr5 s PRO 70 N 1.65 4.28 0.09 3.97 0.04 -1.26 -5.10 135.00 138.67 2cr5 s PRO 70 Ca 0.87 2.02 -0.31 0.00 0.04 0.00 0.00 61.00 63.62 2cr5 s PRO 70 Cb -1.23 -3.53 -0.08 0.00 0.04 0.00 0.00 34.50 29.69 2cr5 s PRO 70 CO 0.63 -0.57 1.59 0.50 0.04 0.00 0.00 177.00 179.19 2cr5 s ARG 71 N 2.26 4.22 -0.07 4.56 3.00 -1.23 -4.81 118.95 126.88 2cr5 s ARG 71 Ca 0.65 2.29 -0.04 0.00 -1.00 0.00 0.00 55.73 57.63 2cr5 s ARG 71 Cb -0.33 -3.47 0.03 0.00 0.00 0.00 0.00 34.95 31.18 2cr5 s ARG 71 CO 0.28 -0.67 0.16 1.03 0.00 0.00 0.00 175.30 176.10 2cr5 s ARG 72 N 2.17 0.15 -0.27 5.12 0.52 -1.25 -4.95 118.95 120.43 2cr5 s ARG 72 Ca 0.72 0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 55.95 2cr5 s ARG 72 Cb -0.40 -0.04 -0.02 0.00 0.52 0.00 0.00 34.95 35.02 2cr5 s ARG 72 CO 0.31 -0.09 1.65 0.00 0.02 0.00 0.00 175.30 177.19 2cr5 s ALA 73 N 0.63 3.13 -0.05 2.13 0.00 -1.26 -1.91 121.76 124.42 2cr5 s ALA 73 Ca -0.05 0.34 -0.26 0.00 0.00 0.00 0.00 51.96 52.00 2cr5 s ALA 73 Cb -0.06 -3.91 -0.03 0.00 0.00 0.00 0.00 23.12 19.12 2cr5 s ALA 73 CO -0.03 -2.20 0.82 -0.51 0.00 0.00 0.00 175.76 173.84 2cr5 s LEU 74 N 5.73 4.32 -0.49 0.00 1.43 -0.99 -4.99 118.68 123.70 2cr5 s LEU 74 Ca 0.73 1.36 -0.17 0.00 -1.03 0.00 0.00 54.13 55.01 2cr5 s LEU 74 Cb -0.23 -3.28 0.06 0.00 0.03 0.00 0.00 46.19 42.78 2cr5 s LEU 74 CO 0.31 -0.20 0.50 -0.70 0.23 0.00 0.00 176.35 176.49 2cr5 s GLU 75 N 1.03 3.05 -0.25 1.70 2.12 -1.26 -4.63 118.70 120.46 2cr5 s GLU 75 Ca 0.43 -1.11 -0.30 0.00 0.36 0.00 0.00 54.97 54.34 2cr5 s GLU 75 Cb -0.19 -4.11 -0.07 0.00 0.26 0.00 0.00 34.13 30.02 2cr5 s GLU 75 CO 0.21 -1.11 2.20 1.33 -0.54 0.00 0.00 175.26 177.35 2cr5 n VAL 76 N 5.40 0.31 -2.91 3.70 0.24 -1.26 -4.93 118.33 118.89 2cr5 n VAL 76 Ca -0.09 -0.39 -0.41 0.00 -2.04 0.00 0.00 64.34 61.41 2cr5 n VAL 76 Cb 0.45 -2.27 -0.04 0.00 -1.47 0.00 0.00 33.84 30.51 2cr5 n VAL 76 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2cr5 s GLU 77 N 6.23 4.47 0.00 7.34 2.12 -1.26 -4.94 118.70 132.67 2cr5 s GLU 77 Ca 1.03 1.09 -0.00 0.00 0.36 0.00 0.00 54.97 57.45 2cr5 s GLU 77 Cb -0.50 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.41 2cr5 s GLU 77 CO 0.40 -0.00 2.06 0.41 -0.54 0.00 0.00 175.26 177.58 2cr5 n GLY 78 N 3.05 2.50 0.35 -1.50 0.00 -1.26 -3.68 105.19 104.64 2cr5 n GLY 78 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2cr5 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr5 n GLY 79 N 1.56 0.10 3.65 -0.02 0.00 -1.26 -5.10 105.19 104.12 2cr5 n GLY 79 Ca 0.02 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2cr5 n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 s SER 80 N -1.20 7.00 1.16 1.61 0.01 -1.24 -5.03 113.70 116.02 2cr5 s SER 80 Ca 0.00 1.22 -0.13 0.00 1.31 0.00 0.00 55.95 58.35 2cr5 s SER 80 Cb 0.00 -2.52 0.28 0.00 0.21 0.00 0.00 66.02 63.99 2cr5 s SER 80 CO 0.00 -0.70 1.03 -0.94 0.41 0.00 0.00 173.24 173.04 2cr5 s SER 81 N 1.35 1.02 0.28 2.44 1.04 -1.26 -4.28 113.70 114.28 2cr5 s SER 81 Ca 0.43 1.38 0.01 0.00 0.48 0.00 0.00 55.95 58.25 2cr5 s SER 81 Cb -0.14 -2.15 0.62 0.00 0.10 0.00 0.00 66.02 64.45 2cr5 s SER 81 CO 0.09 -4.15 1.74 -0.07 0.98 0.00 0.00 173.24 171.82 2cr5 h LEU 82 N -2.59 0.48 -0.59 2.42 3.38 -1.51 0.17 115.31 117.07 2cr5 h LEU 82 Ca -0.61 0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.32 2cr5 h LEU 82 Cb 1.34 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2cr5 h LEU 82 CO 0.51 0.15 -0.64 -0.08 0.09 0.00 0.00 178.44 178.46 2cr5 h GLU 83 N 0.55 0.24 -0.28 1.13 4.81 -1.67 0.26 114.58 119.62 2cr5 h GLU 83 Ca 0.51 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 2cr5 h GLU 83 Cb 0.82 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 2cr5 h GLU 83 CO -0.42 0.81 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.12 2cr5 h ASP 84 N 0.18 0.44 0.92 1.04 3.32 -1.04 -2.74 116.42 118.54 2cr5 h ASP 84 Ca -0.01 -0.10 -0.22 0.00 0.02 0.00 0.00 57.03 56.71 2cr5 h ASP 84 Cb 1.17 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 2cr5 h ASP 84 CO 0.10 0.59 -1.09 0.16 -1.72 0.00 0.00 179.24 177.28 2cr5 h ILE 85 N 0.43 1.62 0.00 0.35 3.07 -1.05 -3.47 117.51 118.46 2cr5 h ILE 85 Ca 0.08 -3.33 0.00 0.00 1.55 0.00 0.00 64.86 63.16 2cr5 h ILE 85 Cb 0.44 2.81 0.00 0.00 -0.27 0.00 0.00 36.82 39.81 2cr5 h ILE 85 CO 0.02 0.93 0.00 0.61 -1.05 0.00 0.00 178.15 178.66 2cr5 n GLY 86 N 1.38 0.56 2.41 0.16 0.00 -0.87 -5.09 105.19 103.74 2cr5 n GLY 86 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2cr5 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cr5 n ILE 87 N 0.00 1.02 0.22 -0.61 2.08 0.87 -4.83 119.36 118.10 2cr5 n ILE 87 Ca 0.00 -4.80 0.09 0.00 0.56 0.00 0.00 62.75 58.60 2cr5 n ILE 87 Cb 0.00 -1.42 -0.13 0.00 -0.75 0.00 0.00 39.64 37.34 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2cr5 n THR 88 N 0.61 0.00 -4.24 1.39 -2.24 -1.26 -4.03 114.28 104.51 2cr5 n THR 88 Ca 0.26 -0.33 -0.14 0.00 -2.27 0.00 0.00 64.05 61.57 2cr5 n THR 88 Cb 0.50 0.32 -0.10 0.00 -2.10 0.00 0.00 70.33 68.96 2cr5 n THR 88 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2cr5 s VAL 89 N -3.12 1.16 -0.01 2.28 -7.23 -1.26 -4.86 120.40 107.37 2cr5 s VAL 89 Ca -0.03 -2.00 -0.33 0.00 -1.81 0.00 0.00 61.98 57.81 2cr5 s VAL 89 Cb 0.12 -1.78 -0.17 0.00 0.56 0.00 0.00 36.38 35.12 2cr5 s VAL 89 CO 0.76 -0.71 0.89 -0.90 -0.31 0.00 0.00 175.10 174.83 2cr5 n ASP 90 N -0.08 0.00 -3.99 4.85 5.68 -1.26 -4.83 116.55 116.93 2cr5 n ASP 90 Ca -0.11 0.96 -0.08 0.00 -0.50 0.00 0.00 54.79 55.06 2cr5 n ASP 90 Cb 0.60 -0.76 -0.09 0.00 -1.14 0.00 0.00 41.12 39.73 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2cr5 s THR 91 N 0.03 0.18 -0.19 2.12 2.01 -0.95 -5.00 115.64 113.83 2cr5 s THR 91 Ca 0.75 -1.50 0.01 0.00 0.31 0.00 0.00 61.69 61.27 2cr5 s THR 91 Cb -1.05 -1.39 0.03 0.00 0.01 0.00 0.00 72.50 70.09 2cr5 s THR 91 CO 0.47 -0.83 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.70 2cr5 s VAL 92 N -3.77 2.10 -0.12 3.82 1.01 -1.26 -2.11 120.40 120.06 2cr5 s VAL 92 Ca 0.05 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 2cr5 s VAL 92 Cb 0.06 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2cr5 s VAL 92 CO -0.10 0.44 0.11 -0.76 0.00 0.00 0.00 175.10 174.79 2cr5 s LEU 93 N 1.26 4.19 -0.16 3.92 1.43 -0.30 -3.08 118.68 125.93 2cr5 s LEU 93 Ca 0.03 0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 53.48 2cr5 s LEU 93 Cb -0.14 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 2cr5 s LEU 93 CO -0.11 0.39 -0.08 0.20 0.23 0.00 0.00 176.35 176.97 2cr5 s ASN 94 N -0.91 4.28 -0.56 2.29 0.01 0.87 -0.27 114.94 120.64 2cr5 s ASN 94 Ca 0.14 -0.30 -0.21 0.00 -0.71 0.00 0.00 52.86 51.78 2cr5 s ASN 94 Cb -0.12 -1.69 0.06 0.00 0.41 0.00 0.00 41.25 39.92 2cr5 s ASN 94 CO 0.03 0.12 0.80 -0.69 -1.51 0.00 0.00 177.10 175.85 2cr5 s VAL 95 N 0.66 4.60 0.03 1.60 1.01 -0.17 -0.93 120.40 127.21 2cr5 s VAL 95 Ca -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2cr5 s VAL 95 Cb -0.15 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 2cr5 s VAL 95 CO 0.02 -1.08 0.13 -1.61 0.00 0.00 0.00 175.10 172.56 2cr5 s GLU 96 N 3.34 3.16 -0.06 2.72 0.41 -0.97 -3.73 118.70 123.58 2cr5 s GLU 96 Ca 0.21 -0.50 -0.30 0.00 -0.41 0.00 0.00 54.97 53.96 2cr5 s GLU 96 Cb -0.17 -2.90 -0.02 0.00 -1.78 0.00 0.00 34.13 29.25 2cr5 s GLU 96 CO 0.13 0.62 1.06 -1.21 -0.49 0.00 0.00 175.26 175.37 2cr5 s GLU 97 N -2.14 4.43 0.94 1.61 2.02 -1.26 -0.92 118.70 123.37 2cr5 s GLU 97 Ca 0.28 1.49 -0.11 0.00 0.02 0.00 0.00 54.97 56.65 2cr5 s GLU 97 Cb -0.12 -3.52 0.15 0.00 0.10 0.00 0.00 34.13 30.74 2cr5 s GLU 97 CO 0.20 -0.29 1.09 0.15 0.02 0.00 0.00 175.26 176.43 2cr5 s LYS 98 N 1.80 0.91 0.34 1.61 1.02 -0.79 -4.93 119.74 119.71 2cr5 s LYS 98 Ca 0.52 1.00 -0.26 0.00 0.02 0.00 0.00 55.97 57.24 2cr5 s LYS 98 Cb -0.21 -1.76 -0.09 0.00 -0.52 0.00 0.00 37.83 35.25 2cr5 s LYS 98 CO 0.22 -2.53 1.05 -1.83 -0.92 0.00 0.00 175.35 171.33 2cr5 s GLU 99 N -4.79 4.40 -0.02 1.68 -1.05 -1.26 -5.00 118.70 112.66 2cr5 s GLU 99 Ca 0.65 1.58 -0.17 0.00 -0.15 0.00 0.00 54.97 56.88 2cr5 s GLU 99 Cb -0.20 -2.81 -0.09 0.00 -0.44 0.00 0.00 34.13 30.59 2cr5 s GLU 99 CO 0.58 0.05 0.76 0.37 0.95 0.00 0.00 175.26 177.98 2cr5 h GLN 100 N 3.07 -0.57 -6.22 -4.83 4.15 -1.98 -3.42 115.11 105.31 2cr5 h GLN 100 Ca -0.47 0.04 -0.58 0.00 0.77 0.00 0.00 58.65 58.41 2cr5 h GLN 100 Cb 1.21 0.13 -0.07 0.00 0.21 0.00 0.00 27.48 28.96 2cr5 h GLN 100 CO 0.64 -0.38 0.78 0.45 -1.93 0.00 0.00 178.83 178.39 2cr5 s SER 101 N -4.41 6.89 0.01 -0.69 0.15 -1.26 -5.02 113.70 109.37 2cr5 s SER 101 Ca -0.09 1.00 0.02 0.00 0.70 0.00 0.00 55.95 57.57 2cr5 s SER 101 Cb 0.01 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2cr5 s SER 101 CO 0.26 -0.84 -0.06 -0.55 1.20 0.00 0.00 173.24 173.26 2cr5 s SER 102 N 1.64 0.64 -0.01 5.45 0.15 -1.26 -5.11 113.70 115.20 2cr5 s SER 102 Ca 0.43 -0.24 -0.37 0.00 0.70 0.00 0.00 55.95 56.47 2cr5 s SER 102 Cb -0.12 -0.03 -0.16 0.00 -1.71 0.00 0.00 66.02 64.00 2cr5 s SER 102 CO 0.15 -0.03 1.51 1.67 1.20 0.00 0.00 173.24 177.74 2cr5 n GLN 103 N 2.46 1.36 -3.68 5.44 0.00 -1.26 -4.96 117.38 116.75 2cr5 n GLN 103 Ca -0.16 0.49 -0.23 0.00 -0.00 0.00 0.00 57.00 57.10 2cr5 n GLN 103 Cb 0.57 -2.18 -0.17 0.00 0.00 0.00 0.00 30.24 28.46 2cr5 n GLN 103 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2cr5 s SER 104 N 1.57 1.80 0.00 1.69 0.01 -1.26 -5.01 113.70 112.50 2cr5 s SER 104 Ca 0.88 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2cr5 s SER 104 Cb -0.93 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.02 2cr5 s SER 104 CO 0.51 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.49 2cr5 n GLY 105 N 5.24 -0.92 3.77 3.44 0.00 -1.26 -5.14 105.19 110.32 2cr5 n GLY 105 Ca -0.06 0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 2cr5 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr5 s PRO 106 N 0.00 2.26 -1.49 1.61 0.04 -1.26 -3.75 135.00 132.41 2cr5 s PRO 106 Ca 0.00 1.17 -0.06 0.00 0.04 0.00 0.00 61.00 62.15 2cr5 s PRO 106 Cb 0.00 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.69 2cr5 s PRO 106 CO 0.00 -1.64 0.55 0.45 0.04 0.00 0.00 177.00 176.40 2cr5 n SER 107 N -3.52 -1.40 -4.28 6.66 2.88 -1.26 -4.95 113.62 107.75 2cr5 n SER 107 Ca 0.09 -0.99 -0.33 0.00 -1.33 0.00 0.00 58.87 56.31 2cr5 n SER 107 Cb 0.53 -3.05 -0.15 0.00 -0.75 0.00 0.00 64.21 60.79 2cr5 n SER 107 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cr5 s SER 108 N -4.02 3.79 0.00 -3.46 0.01 -1.25 -5.14 113.70 103.63 2cr5 s SER 108 Ca 0.24 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2cr5 s SER 108 Cb -0.13 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.51 2cr5 s SER 108 CO 0.89 0.08 0.00 0.61 0.41 0.00 0.00 173.24 175.23